CSDB : monomer statistics

CSDB monomer namespace

Please note! The statistics on this page is from 2015 (inclusively) till now, as requested

The table lists residues present in the database and their occurencies.
Click to view occurencies and atomic patterns for different forms of each residue.
Column explanations are below the table.

To view a list of supported residue and superclass names (including those not present in the database) click here: Residue subdatabase dump

Operations on all residues: Expand all Collapse all Filter to the last years

To re-sort the list click the according column name.

Residue	Size	Type	Abundance	Structures	WURCSProton count / Atom types	Description
1,2,6daraHex	hex	ald	0	0	dd122m221113	1,2,6-trideoxy-arabino-hexose (olivose in C-glycoside)
no configuration variants are populated					ddoodd (pyranose), ddodod (furanose)
1,4dxylHex	hex	ald	15	7	d21d2h211212	1,4-dideoxy-xylo-hexose
b-D-1,4dxylHexp ?-D-1,4dxylHexp			26 4	26 4	[CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@H](O)1 dooddo [CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[CH](O)1 dooddo
1,6anhGlc	hex	ald	0	0	?2122h_1-6211112	1,6-anhydroglucose
no configuration variants are populated					xooodx (pyranose), xoodox (furanose)
1,6anhGlcN	hex	ald	0	0	?2122h_1-6_2*N211112	2-amino-1,6-anhydro-2-deoxyglucose
no configuration variants are populated					xnoodx (pyranose), xnodox (furanose)
1,6anhMur	non*	ald	1	1	?2122h_1-6_2N_3OC^RCO/4=O/3C111112103	1,6-anhydro-2-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (1,6-anhydromuramic acid)
?-1,6anhMurp ?-1,6anhMur? b-1,6anhMurp			3 3 1	3 3 1	[CH2](O2)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH]21 dnxodddad 2 variants possible; use an icon → dnx??ddad [CH2](O2)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@H]21 dnxodddad
1,6dGul	hex	ald	1	1	d2212m211113	1,6-dideoxygulose
?-D-1,6dGulp b-D-1,6dGulp			2 1	2 1	[CH3][C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 oooodd [CH3][C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodd
1dAll	hex	ald	26	11	d2222h211112	1-deoxy-allose
b-D-1dAllp			24	24	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 dooodo
1dGal	hex	ald	2	2	d2112h211112	1-deoxy-galactose (the same as linear form of 1,5-anhGal-ol, which still has 1-5 cycle)
b-D-1dGalp a-D-1dGalp			5 4	5 4	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 dooodo [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 dooodo
1dGlc	hex	ald	34	20	d2122h211112	1-deoxy-glucose (the same as linear form of 1,5-anhGlc-ol, which still has 1-5 cycle)
b-D-1dGlcp b-D-1dGlc? ?-D-1dGlcp a-D-1dGlcp ?-?-1dGlc?			198 4 3 2 2	184 4 3 2 2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 dooodo 2 variants possible; use an icon → doo??o [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH2]1 dooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 dooodo 4 variants possible; use an icon → doo??o
1dOli	hex	ald	10	10	dd122m221113	1,2,6-trideoxy-arabino-hexose (olivose in C-glycoside)
b-D-1dOlip			28	28	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1 ddoodd
1dRha	hex	ald	1	1	d1122m211113	1,6-dideoxymannose (1-deoxyrhamnose)
a-L-1dRhap			2	2	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodd
2,5anhMan	hex	ald	11	11	A1122h_2-5111112	2,5-anhydromannose
D-2,5anhMana ?-D-2,5anhMan? ?-?-2,5anhMan? ?-2,5anhMana			17 11 4 1	17 11 4 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H]1[CH]=O Axooxo 2 variants possible; use an icon → ?xo?xo 4 variants possible; use an icon → ?xo?xo 2 variants possible; use an icon → Axooxo
2,5anhTal	hex	ald	4	3	A1112h_2-5111112	2,5-anhydrotalose
D-2,5anhTala ?-2,5anhTala			11 2	11 2	[CH2](O)[C@@H](O2)[C@H](O)[C@H](O)[C@H]2[CH]=O Axooxo 2 variants possible; use an icon → Axooxo
2,6daraHex	hex	ald	0	0	?d122m121113	2,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose
no configuration variants are populated					Adoood (acyclic), odoodd (pyranose), ododod (furanose)
2,6daraHex3N	hex	ald	0	0	?12d2m_3*N121113	3-amino-2,3,6-trideoxy-arabino-hexose
no configuration variants are populated					Adnood (acyclic), odnodd (pyranose), odndod (furanose)
2,6daraHex4N	hex	ald	0	0	?d122m_4*N121113	4-amino-2,4,6-trideoxy-arabino-hexose
no configuration variants are populated					Adonod (acyclic), odondd (pyranose)
2,6dlyxHex3N	hex	ald	0	0	?11d2m_3*N121113	3-amino-2,3,6-trideoxy-lyxo-hexose
no configuration variants are populated					Adnood (acyclic), odnodd (pyranose), odndod (furanose)
2,6dxylHex	hex	ald	0	0	?d212m121113	2,6-dideoxy-xylo-hexose (sarmentose = boiviniose, 2d6d-Gul = 2d6d-Ido)
no configuration variants are populated					Adoood (acyclic), odoodd (pyranose), ododod (furanose)
2daraHexA	hex	ald	5	4	?d122A121110	2-deoxy-arabino-hexuronic acid (2-deoxyglucuronic acid)
b-D-2daraHexpA ?-D-2daraHex?A			7 1	7 1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1 odooda 3 variants possible; use an icon → ?do??a
2dRib	pen	ald	11	2	?d22h12112	2-deoxy-erytro-pentose (2d-Rib = 2d-Ara)
b-D-2dRibf			2	2	[CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](O)1 ododo
2dthrPen4N	pen	ald	5	5	?d12h_4*N12112	4-amino-2,4-dideoxy-threo-pentose
a-L-2dthrPenp4N			5	5	N[C@H]1[CH2]O[C@@H](O)[CH2][C@@H]1O odond
3deryPen	pen	ald	73	9	?2d2h11212	3-deoxy-erytro-pentose (3d-Rib = 3d-Xyl)
b-D-3deryPenf			9	9	[CH2](O)[C@@H](O1)[CH2][C@@H](O)[C@H](O)1 ooddo
3dgroTet	tet	ald	0	0	o2dh1122	3-deoxy-glycero-tetrose
no configuration variants are populated					Aodo (acyclic), oodd (furanose)
4,6daraHexN	hex	ald	0	0	?12d2m_2*N111213	2-amino-2,4,6-trideoxy-arabino-hexose
no configuration variants are populated					Anodod (acyclic), onoddd (pyranose)
4daraHex	hex	ald	15	8	?12d2h111212	4-deoxy-arabino-hexose
b-D-4daraHexp a-D-4daraHexp			14 2	9 2	[CH2](O)[C@@H](O1)[CH2][C@@H](O)[C@H](O)[C@H](O)1 oooddo [CH2](O)[C@@H](O1)[CH2][C@@H](O)[C@H](O)[C@@H](O)1 oooddo
4deryHex4enA	hex	ald	6	6	?22eEA111100	4-deoxy-erythro-hex-4-enuronic acid
a-L-4deryHexp4enA a-?-4deryHexp4enA			7 5	7 5	[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@H](O)[C@H](O)1 oooDDa 2 variants possible; use an icon → oooDDa
4deryHex4enNA	hex	ald	3	3	?22eEA_2*N111100	2-amino-2,4-dideoxy-erythro-hex-4-enuronic acid
a-L-4deryHexp4enNA a-L-4deryHex?4enNA			3 2	3 2	[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@H](N)[C@H](O)1 onoDDa [C](=O)(O)/[C](O1)=[CH][C@H](O)[C@H](N)[C@H](O)1 ?noD?a
4dthrHex4en	hex	ald	4	2	?12eEh111102	4-deoxy-threo-hex-4-enose
a-L-4dthrHexp4en b-D-4dthrHexp4en			2 2	2 2	[CH2](O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@H](O)1 oooDDo [CH2](O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@H](O)1 oooDDo
4dthrHex4enA	hex	ald	13	11	?12eEA111100	4-deoxy-threo-hex-4-enuronic acid
b-L-4dthrHexp4enA a-D-4dthrHexp4enA a-L-4dthrHexp4enA b-L-4dthrHex?4enA ?-?-4dthrHex?4enA b-D-4dthrHex?4enA b-D-4dthrHexp4enA a-D-4dthrHex?4enA			44 18 14 11 1 1 1 1	44 17 13 11 1 1 1 1	[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@@H](O)1 oooDDa [C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@@H](O)1 oooDDa [C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@H](O)1 oooDDa [C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@@H](O)1 ?ooD?a 2 variants possible; use an icon → ?ooD?a [C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@H](O)1 ?ooD?a [C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@H](O)1 oooDDa [C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@@H](O)1 ?ooD?a
4dthrHex4enNA	hex	ald	7	4	?12eEA_2*N111100	2-amino-2,4-dideoxy-threo-hex-4-enuronic acid
b-L-4dthrHexp4enNA a-D-4dthrHexp4enNA b-D-4dthrHexp4enNA b-D-4dthrHex?4enNA ?-?-4dthrHexp4enNA			11 3 2 1 1	11 3 2 1 1	[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](N)[C@@H](O)1 onoDDa [C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](N)[C@@H](O)1 onoDDa [C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](N)[C@H](O)1 onoDDa [C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](N)[C@H](O)1 ?noD?a 2 variants possible; use an icon → onoDDa
4dxylHex	hex	ald	2	2	?21d2h111212	4-deoxy-xylo-hexose
a-D-4dxylHexp b-D-4dxylHexp			7 1	7 1	[CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@@H](O)1 oooddo [CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@H](O)1 oooddo
6dallHep	hep	ald	0	0	?2222dh1111122	6-deoxy-allo-heptose
no configuration variants are populated					Aoooodo (acyclic), ooooddo (pyranose), ooododo (furanose)
6dAlt	hex	ald	51	22	?1222m111113	6-deoxyaltrose
b-D-6dAltp b-L-6dAltf b-L-6dAltp a-L-6dAltf ?-L-6dAltf a-L-6dAltp ?-L-6dAlt? ?-L-6dAltp b-L-6dAlt?			32 17 16 7 2 2 1 1 1	32 8 6 6 2 2 1 1 1	[CH3][C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodd [CH3][C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ooodod [CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodd [CH3][C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodod [CH3][C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ooodod [CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodd 3 variants possible; use an icon → ?oo??d [CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 oooodd 2 variants possible; use an icon → ?oo??d
6dAltN	hex	ald	10	4	?1222m_2*N111113	2-amino-2,6-dideoxyaltrose
a-L-6dAltpN b-L-6dAltpN			3 1	3 1	[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onoodd [CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onoodd
6dAltN4N	hex	ald	1	1	?1222m_2N_4N111113	2,4-diamino-2,4,6-trideoxyaltrose
b-L-6dAltpN4N a-D-6dAltpN4N b-L-6dAlt?N4N ?-L-6dAltpN4N			6 4 1 1	6 4 1 1	[CH3][C@H](O1)[C@H](N)[C@H](O)[C@@H](N)[C@@H](O)1 onondd [CH3][C@@H](O1)[C@@H](N)[C@@H](O)[C@H](N)[C@@H](O)1 onondd [CH3][C@H](O1)[C@H](N)[C@H](O)[C@@H](N)[C@@H](O)1 ?non?d [CH3][C@H](O1)[C@H](N)[C@H](O)[C@@H](N)[CH](O)1 onondd
6daltHep	hep	ald	18	12	?1222dh1111122	6-deoxy-altro-heptose
a-D-6daltHepp b-D-6daltHepf			13 3	12 3	[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooooddo [CH2](O)[CH2][C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1 ooododo
6daraHexN-4-ulo	hex	ald	1	1	?12U2m_2*N111013	2-amino-2,6-dideoxy-arabino-hexos-4-ulose
b-L-6daraHexpN-4-ulo			2	2	[CH3][C@H](O1)[C](=O)[C@H](O)[C@@H](N)[C@@H](O)1 onoxdd
6dgalHep	hep	ald	3	2	?2112dh1111122	6-deoxy-galacto-heptose
a-L-6dgalHepf a-L-6dgalHepp			3 2	3 1	[CH2](O)[CH2][C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1 ooododo [CH2](O)[CH2][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ooooddo
6dglcHep	hep	ald	0	0	?2122dh1111122	6-deoxy-gluco-heptose
no configuration variants are populated					Aoooodo (acyclic), ooooddo (pyranose), ooododo (furanose)
6dgulHep	hep	ald	5	3	?2212dh1111122	6-deoxy-gulo-heptose
a-L-6dgulHepp ?-L-6dgulHep? a-L-6dgulHepf			12 1 1	9 1 1	[CH2](O)[CH2][C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ooooddo 3 variants possible; use an icon → ?oo??do [CH2](O)[CH2][C@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1 ooododo
6dIdo	hex	ald	0	0	?1212m111113	6-deoxyidose
no configuration variants are populated					Aooood (acyclic), oooodd (pyranose), ooodod (furanose)
6didoHep	hep	ald	7	4	?1212dh1111122	6-deoxy-ido-heptose
b-D-6didoHepp a-D-6didoHepp			6 1	5 1	[CH2](O)[CH2][C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ooooddo [CH2](O)[CH2][C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooooddo
6dmanHep	hep	ald	48	17	?1122dh1111122	6-deoxy-manno-heptose
b-D-6dmanHepp a-D-6dmanHepp b-?-6dmanHepp ?-?-6dmanHep? ?-?-6dmanHepp a-D-6dmanHep? b-D-6dmanHep? ?-D-6dmanHep?			41 17 3 3 2 1 1 1	39 10 3 3 2 1 1 1	[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ooooddo [CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ooooddo 2 variants possible; use an icon → ooooddo 4 variants possible; use an icon → ?oo??do 2 variants possible; use an icon → ooooddo 2 variants possible; use an icon → ?oo??do 2 variants possible; use an icon → ?oo??do 3 variants possible; use an icon → ?oo??do
6dribHex-3-ulo	hex	ald	2	2	?2U22m110113	6-deoxy-ribo-hexos-3-ulose
a-D-6dribHexp-3-ulo b-L-6dribHexp-3-ulo			6 5	6 5	[CH3][C@@H](O1)[C@@H](O)[C](=O)[C@@H](O)[C@@H](O)1 ooxodd [CH3][C@H](O1)[C@H](O)[C](=O)[C@H](O)[C@@H](O)1 ooxodd
6dTal	hex	ald	258	95	?1112m111113	6-deoxytalose
a-L-6dTalp a-D-6dTalp b-L-6dTalp ?-L-6dTal? a-?-6dTalp a-L-6dTal? b-D-6dTalp ?-L-6dTalp b-?-6dTalp ?-?-6dTalp a-?-6dTal?			360 50 14 13 10 7 6 5 3 2 1	284 37 12 13 7 7 5 5 1 2 1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodd [CH3][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)1 oooodd [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 oooodd 3 variants possible; use an icon → ?oo??d 2 variants possible; use an icon → oooodd 2 variants possible; use an icon → ?oo??d [CH3][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooodd [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[CH](O)1 oooodd 2 variants possible; use an icon → oooodd 2 variants possible; use an icon → oooodd 4 variants possible; use an icon → ?oo??d
6dTal3N	hex	ald	0	0	?1112m_3*N111113	3-amino-3,6-dideoxytalose
no configuration variants are populated					Aonood (acyclic), oonodd (pyranose), oondod (furanose)
6dTalN	hex	ald	15	5	?1112m_2*N111113	2-amino-2,6-dideoxytalose (pneumosamine if D)
a-L-6dTalpN a-L-6dTal?N b-L-6dTalpN			14 2 2	14 2 2	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@H](O)1 onoodd 2 variants possible; use an icon → ?no??d [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@@H](O)1 onoodd
6dxylHex-4-ulo	hex	ald	1	1	?21U2m111013	6-deoxy-xylo-hexos-4-ulose
a-D-6dxylHexp-4-ulo ?-D-6dxylHexp-4-ulo			2 1	2 1	[CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](O)[C@@H](O)1 oooxdd [CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](O)[CH](O)1 oooxdd
6dxylHexN-4-ulo	hex	ald	45	9	?21U2m_2*N111013	2-amino-2,6-dideoxy-xylo-hexos-4-ulose
a-D-6dxylHexpN-4-ulo b-D-6dxylHexpN-4-ulo ?-D-6dxylHexpN-4-ulo a-L-6dxylHexpN-4-ulo			16 14 1 1	16 14 1 1	[CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](N)[C@@H](O)1 onoxdd [CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](N)[C@H](O)1 onoxdd [CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](N)[CH](O)1 onoxdd [CH3][C@H](O1)[C](=O)[C@@H](O)[C@H](N)[C@H](O)1 onoxdd
Abe	hex*	ald	48	23	?2d12m112113	3,6-dideoxy-D-xylo-hexose (abequose), 3dFuc=3,6dGul
a-Abep a-Abe? ?-Abep ?-Abe?			173 3 3 1	152 3 3 1	[CH3][C@@H](O1)[C@H](O)[CH2][C@@H](O)[C@@H](O)1 oododd 2 variants possible; use an icon → ?od??d [CH3][C@@H](O1)[C@H](O)[CH2][C@@H](O)[CH](O)1 oododd 2 variants possible; use an icon → ?od??d
Aco3N	hex*	ald	0	0	?d121m_3*N121113	3-amino-2,3,6-trideoxy-L-xylo-hexose (acosamine)
no configuration variants are populated					Adnood (acyclic), odnodd (pyranose), odndod (furanose)
All1N5NA	hex	ald	37	9	?2222A_1N_5N111110	1,5-diamino-1,5-deoxy-alluronic acid
b-D-Allf1N5NA			36	36	N[C@@H]1O[C@H]([C@H](N)[C](=O)O)[C@@H](O)[C@H]1O noodna
All5NA	hex	ald	0	0	?2222A_5*N111110	5-amino-5-deoxy-alluronic acid
no configuration variants are populated					Aooona (acyclic), ooodna (furanose)
AllN	hex	ald	4	3	?2222h_2*N111112	2-amino-2-deoxyallose
a-D-AllpN b-D-AllpN			5 4	5 2	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@@H](O)1 onoodo [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@H](O)1 onoodo
AllN3N	hex	ald	0	0	?2222h_2N_3N111112	2,3-diamino-2,3-dideoxyallose
no configuration variants are populated					Annooo (acyclic), onnodo (pyranose), onndoo (furanose)
Alt	hex	ald	84	26	?1222h111112	altrose
b-D-Altp b-L-Altp a-L-Altf b-D-Altf a-L-Altp b-?-Altp			38 2 2 1 1 1	38 2 2 1 1 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodo [CH2](O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodo [CH2](O)[C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodoo [CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1 ooodoo [CH2](O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodo 2 variants possible; use an icon → oooodo
AltA	hex	ald	47	21	?1222A111110	altruronic acid
b-D-AltpA a-L-AltpA			20 6	20 6	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ooooda [C](=O)(O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooooda
AltN	hex	ald	0	0	?1222h_2*N111112	2-amino-2-deoxyaltrose
no configuration variants are populated					Anoooo (acyclic), onoodo (pyranose), onodoo (furanose)
AltN3N	hex	ald	0	0	?1222h_2N_3N111112	2,3-diamino-2,3-dideoxyaltrose
no configuration variants are populated					Annooo (acyclic), onnodo (pyranose), onndoo (furanose)
Ami	hex	ald	1	1	?dd22m122113	2,3,6-trideoxy-erythro-hexose (amicetose, default: D)
b-D-Amip a-L-Amip			3 3	3 3	[CH3][C@@H](O1)[C@@H](O)[CH2][CH2][C@H](O)1 oddodd [CH3][C@H](O1)[C@H](O)[CH2][CH2][C@H](O)1 oddodd
Api	pen	ald	1	1	?26h_3*CO11022	apiose (3-C-(hydroxymethyl)-D/L-glycero-tetrose)
b-D-Apif ?-?-Apif a-L-Apif ?-?-Api? a-D-Apif a-L-Api? b-?-Apif b-D-Api?			268 13 6 2 2 2 1 1	258 10 6 2 2 2 1 1	[CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[C@H](O)1 ooodo 2 variants possible; use an icon → ooodo [CH2](O1)[C@]([CH2]O)(O)[C@H](O)[C@H](O)1 ooodo 2 variants possible; use an icon → ?oo?o [CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[C@@H](O)1 ooodo [CH2](O1)[C@]([CH2]O)(O)[C@H](O)[C@H](O)1 ?oo?o 2 variants possible; use an icon → ooodo [CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[C@H](O)1 ?oo?o
Ara	pen	ald	3024	158	?122h11112	arabinose
a-L-Arap a-D-Araf a-L-Araf b-D-Araf ?-D-Araf ?-L-Araf b-L-Araf ?-?-Araf b-L-Arap ?-?-Arap b-D-Arap ?-?-Ara? a-L-Ara? a-?-Araf ?-L-Arap a-D-Arap ?-L-Ara? a-?-Arap b-?-Arap b-?-Araf ?-D-Ara? ?-D-Arap b-L-Ara? a-D-Ara? a-?-Ara?			1169 749 748 207 113 106 99 68 43 43 42 41 37 29 28 25 24 17 10 5 4 4 2 1 1	1079 160 476 99 62 56 80 33 40 18 36 25 24 14 18 20 23 17 10 4 4 4 1 1 1	[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooood [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1 ooodo [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1 ooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH](O)1 ooodo [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ooodo [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ooodo 2 variants possible; use an icon → ooodo [CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ooood 2 variants possible; use an icon → ooood [CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ooood 4 variants possible; use an icon → ?oo?? 2 variants possible; use an icon → ?oo?? 2 variants possible; use an icon → ooodo [CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ooood [CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooood 3 variants possible; use an icon → ?oo?? 2 variants possible; use an icon → ooood 2 variants possible; use an icon → ooood 2 variants possible; use an icon → ooodo 3 variants possible; use an icon → ?oo?? [CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 ooood 2 variants possible; use an icon → ?oo?? 2 variants possible; use an icon → ?oo?? 4 variants possible; use an icon → ?oo??
Ara4N	pen	ald	220	71	?122h_4*N11112	4-amino-4-deoxyarabinose
b-L-Arap4N ?-L-Arap4N a-L-Arap4N ?-?-Arap4N b-L-Ara?4N b-D-Ara?4N ?-L-Ara?4N ?-?-Ara?4N a-L-Ara?4N			435 41 17 16 4 3 1 1 1	340 29 14 12 3 3 1 1 1	[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1 ooond [CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[CH](O)1 ooond [CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@H](O)1 ooond 2 variants possible; use an icon → ooond [CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1 ?oon? [CH2](O1)[C@@H](N)[C@@H](O)[C@H](O)[C@H](O)1 ?oon? [CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[CH](O)1 ?oon? 2 variants possible; use an icon → ?oon? [CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@H](O)1 ?oon?
Asc	hex*	ald	9	6	?2d11m112113	3,6-dideoxy-L-arabino-hexose (ascarilose), 3dRha=3,6dAlt
a-Ascp a-Asc? ?-Asc? a-Ascf ?-Ascp			10 3 1 1 1	9 3 1 1 1	[CH3][C@H](O1)[C@H](O)[CH2][C@@H](O)[C@H](O)1 oododd 2 variants possible; use an icon → ?od??d 2 variants possible; use an icon → ?od??d [CH3][C@H](O)[C@H](O1)[CH2][C@@H](O)[C@H](O)1 ooddod [CH3][C@H](O1)[C@H](O)[CH2][C@@H](O)[CH](O)1 oododd
Caryophyllose	dod*	ald	8	5	?2d21d222m_41C^RC/2O2112012111313	3,6,10-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-erythro-D-gulo-decose
a-Caryophyllosep b-Caryophyllosep ?-Caryophyllosep ?-Caryophyllose? Caryophyllosea			19 2 2 1 1	13 2 2 1 1	[CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@@H](O)1 oodoodoooddd [CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@H](O)1 oodoodoooddd [CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[CH](O)1 oodoodoooddd 2 variants possible; use an icon → ?odoodoood?d [CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O)[CH3])(O)[CH2][C@@H](O)[CH]=O Aodoodooodod
Caryose	non*	ald	2	1	?1d61215m112011103	4,8-cyclo-3,9-dideoxy-L-erythro-D-ido-nonose
b-Caryosep b-Caryose? ?-Caryose?			22 3 1	4 1 1	[CH3][C@]2(O)[C@H](O)[C@@H](O)[C@H](O1)[C@@]2(O)[CH2][C@H](O)[C@H](O)1 oododoood [CH3][C@]2(O)[C@H](O)[C@@H](O)[C@H](O1)[C@@]2(O)[CH2][C@H](O)[C@H](O)1 ?odo?oood 2 variants possible; use an icon → ?odo?oood
Col	hex*	ald	51	26	?1d21m112113	3,6-dideoxy-L-xylo-hexose (colitose), 3dFuc=3,6dGul
a-Colp a-Col? b-Colp ?-Colp			135 10 2 1	89 10 2 1	[CH3][C@H](O1)[C@@H](O)[CH2][C@H](O)[C@H](O)1 oododd 2 variants possible; use an icon → ?od??d [CH3][C@H](O1)[C@@H](O)[CH2][C@H](O)[C@@H](O)1 oododd [CH3][C@H](O1)[C@@H](O)[CH2][C@H](O)[CH](O)1 oododd
DDaltHep	hep*	ald	4	4	?12222h1111112	D-glycero-D-altro-heptose
a-DDaltHepp a-DDaltHep?			4 2	4 2	[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 oooodoo 2 variants possible; use an icon → ?oo??oo
DDgalHep	hep*	ald	24	3	?21122h1111112	D-glycero-D-galacto-heptose
b-DDgalHepp a-DDgalHepp			28 3	10 3	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodoo [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodoo
DDmanHep	hep*	ald	321	89	?11222h1111112	D-glycero-D-manno-heptose
a-DDmanHepp ?-DDmanHepp b-DDmanHepp ?-DDmanHep?			1059 35 23 3	683 15 23 3	[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 oooodoo [CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 oooodoo [CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooodoo 3 variants possible; use an icon → ?oo??oo
Des	oct*	ald	0	0	?21d2m_3*NC/2C11121333	3-dimethylamino-3,4,6-trideoxy-D-xylo-hexose (desosamine)
no configuration variants are populated					Aondoddd (acyclic), oonddddd (pyranose)
Dig	hex	ald	17	11	?d222m121113	2,6-dideoxy-ribo-hexose (digitoxose, 2d6d-All = 2d6d-Alt), 3OMe-derivative = cymarose
b-D-Digp b-?-Digp a-L-Digp a-?-Digp b-L-Digp D-Diga ?-D-Dig?			601 76 42 31 13 5 2	300 36 30 16 12 3 2	[CH3][C@@H](O1)[C@@H](O)[C@@H](O)[CH2][C@H](O)1 odoodd 2 variants possible; use an icon → odoodd [CH3][C@H](O1)[C@H](O)[C@H](O)[CH2][C@H](O)1 odoodd 2 variants possible; use an icon → odoodd [CH3][C@H](O1)[C@H](O)[C@H](O)[CH2][C@@H](O)1 odoodd [CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][CH]=O Adoood 3 variants possible; use an icon → ?do??d
DLglcHep	hep*	ald	31	11	?12112h1111112	D-glycero-L-gluco-heptose
a-DLglcHepp b-DLglcHepp ?-DLglcHepp ?-DLglcHep?			9 6 1 1	9 6 1 1	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodoo [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 oooodoo [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 oooodoo 3 variants possible; use an icon → ?oo??oo
DLmanHep	hep*	ald	0	0	?22112h1111112	D-glycero-L-manno-heptose
no configuration variants are populated					Aoooooo (acyclic), oooodoo (pyranose), ooodooo (furanose)
Erwiniose	dec*	ald	6	4	?2d21d2m_41C^RC/2O21120121313	3,6,8-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-gulo-octose
b-Erwiniose?			8	8	[CH3][C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@H](O)1 ?odo?dodod
EryN	tet	ald	0	0	?22h_2*N1112	2-amino-2-deoxyerythrose
no configuration variants are populated					onoo (acyclic), onod (furanose)
eryPen-4-ulo	pen	ald	0	0	?22Oh11102	erythro-pentos-4-ulose (ald function at C1, keto at C4)
no configuration variants are populated					Aooxo (acyclic), oooxd (pyranose)
Fuc	hex	ald	970	396	?2112m111113	6-deoxygalactose (fucose)
a-L-Fucp b-D-Fucp a-D-Fucp a-?-Fucp b-L-Fucp ?-L-Fucp a-?-Fuc? a-L-Fuc? a-D-Fucf ?-L-Fuc? ?-?-Fuc? ?-?-Fucp b-D-Fucf ?-D-Fucp ?-D-Fuc? a-D-Fuc? b-L-Fuc? b-?-Fucp b-?-Fucf			2088 428 160 73 72 58 44 33 32 25 21 19 7 5 4 3 2 2 1	1593 419 134 58 59 47 40 27 26 25 19 19 7 5 4 2 2 2 1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodd [CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodd [CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodd 2 variants possible; use an icon → oooodd [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 oooodd [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 oooodd 4 variants possible; use an icon → ?oo??d 2 variants possible; use an icon → ?oo??d [CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ooodod 3 variants possible; use an icon → ?oo??d 4 variants possible; use an icon → ?oo??d 2 variants possible; use an icon → oooodd [CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodod [CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 oooodd 2 variants possible; use an icon → ?oo??d 2 variants possible; use an icon → ?oo??d 2 variants possible; use an icon → ?oo??d 2 variants possible; use an icon → oooodd 2 variants possible; use an icon → ooodod
Fuc3N	hex	ald	153	58	?2112m_3*N111113	3-amino-3,6-dideoxygalactose
a-D-Fucp3N b-D-Fucp3N ?-D-Fucp3N ?-?-Fucp3N a-?-Fucp3N a-L-Fucp3N b-L-Fucp3N ?-D-Fuc?3N			128 69 5 5 5 4 2 1	103 68 5 4 4 4 2 1	[CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[C@@H](O)1 oonodd [CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[C@H](O)1 oonodd [CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[CH](O)1 oonodd 2 variants possible; use an icon → oonodd 2 variants possible; use an icon → oonodd [CH3][C@H](O1)[C@@H](O)[C@@H](N)[C@H](O)[C@H](O)1 oonodd [CH3][C@H](O1)[C@@H](O)[C@@H](N)[C@H](O)[C@@H](O)1 oonodd 3 variants possible; use an icon → ?on??d
Fuc4N	hex	ald	61	22	?2112m_4*N111113	4-amino-4,6-dideoxygalactose (thomosamine if D)
a-D-Fucp4N a-L-Fucp4N b-D-Fucp4N a-D-Fuc?4N b-?-Fucp4N ?-D-Fucp4N			62 5 5 3 2 1	59 5 5 3 2 1	[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1 ooondd [CH3][C@H](O1)[C@@H](N)[C@@H](O)[C@H](O)[C@H](O)1 ooondd [CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[C@H](O)1 ooondd [CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1 ?oon?d 2 variants possible; use an icon → ooondd [CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[CH](O)1 ooondd
FucN	hex	ald	513	238	?2112m_2*N111113	2-amino-2,6-dideoxygalactose
a-L-FucpN a-D-FucpN b-D-FucpN b-L-FucpN ?-L-FucpN ?-D-Fuc?N b-L-FucfN a-D-Fuc?N ?-D-FucpN ?-L-Fuc?N a-L-FucfN b-D-FucfN a-?-FucpN b-D-Fuc?N ?-?-FucpN			439 146 90 13 7 5 4 3 3 2 1 1 1 1 1	381 142 90 11 7 5 4 3 3 2 1 1 1 1 1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@H](O)1 onoodd [CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onoodd [CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onoodd [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@@H](O)1 onoodd [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[CH](O)1 onoodd 3 variants possible; use an icon → ?no??d [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)1 onodod 2 variants possible; use an icon → ?no??d [CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 onoodd 3 variants possible; use an icon → ?no??d [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](O)1 onodod [CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](O)1 onodod 2 variants possible; use an icon → onoodd 2 variants possible; use an icon → ?no??d 2 variants possible; use an icon → onoodd
FucN4N	hex	ald	116	63	?2112m_2N_4N111113	2,4-diamino-2,4,6-trideoxygalactose
b-D-FucpN4N a-D-FucpN4N b-L-FucpN4N a-L-FucpN4N			110 101 6 3	93 95 6 3	[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](N)[C@H](O)1 onondd [CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](N)[C@@H](O)1 onondd [CH3][C@H](O1)[C@@H](N)[C@@H](O)[C@H](N)[C@@H](O)1 onondd [CH3][C@H](O1)[C@@H](N)[C@@H](O)[C@H](N)[C@H](O)1 onondd
Gal	hex	ald	11390	3076	?2112h111112	galactose
b-D-Galp a-D-Galp b-D-Galf ?-D-Galp b-?-Galp a-D-Galf ?-D-Gal? ?-?-Galp b-D-Gal? b-?-Galf a-D-Gal? a-?-Galp ?-?-Gal? ?-D-Galf b-?-Gal? a-?-Gal? ?-?-Galf a-L-Galp a-?-Galf ?-L-Galp D-Gala			9713 5989 1936 482 291 180 131 128 126 109 101 92 67 55 46 33 29 19 10 9 1	6457 4244 1037 277 113 141 126 48 93 53 50 55 42 43 24 10 18 15 8 6 1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodo [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodo [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodoo [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 oooodo 2 variants possible; use an icon → oooodo [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ooodoo 3 variants possible; use an icon → ?oo??o 2 variants possible; use an icon → oooodo 2 variants possible; use an icon → ?oo??o 2 variants possible; use an icon → ooodoo 2 variants possible; use an icon → ?oo??o 2 variants possible; use an icon → oooodo 6 variants possible; use an icon → ?oo??o [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ooodoo 4 variants possible; use an icon → ?oo??o 4 variants possible; use an icon → ?oo??o 2 variants possible; use an icon → ooodoo [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodo 2 variants possible; use an icon → ooodoo [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 oooodo [CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH]=O Aooooo
Gal3N	hex	ald	0	0	?2112h_3*N111112	3-amino-3-deoxygalactose
no configuration variants are populated					Aonooo (acyclic), oonodo (pyranose), oondoo (furanose)
GalA	hex	ald	633	275	?2112A111110	galacturonic acid
a-D-GalpA b-D-GalpA a-?-GalpA ?-D-GalpA ?-?-GalpA a-D-Gal?A ?-?-Gal?A ?-D-Gal?A b-?-GalpA b-L-GalpA			1424 441 110 76 20 9 5 4 4 2	1063 394 28 37 16 5 4 4 3 1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ooooda [C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooooda 2 variants possible; use an icon → ooooda [C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ooooda 2 variants possible; use an icon → ooooda 2 variants possible; use an icon → ?oo??a 4 variants possible; use an icon → ?oo??a 3 variants possible; use an icon → ?oo??a 2 variants possible; use an icon → ooooda [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooooda
GalN	hex	ald	2156	867	?2112h_2*N111112	2-amino-2-deoxygalactose
a-D-GalpN b-D-GalpN ?-D-GalpN D-GalaN ?-D-Gal?N b-D-GalfN b-?-GalpN a-?-GalpN a-D-Gal?N b-D-Gal?N ?-?-Gal?N a-D-GalfN b-?-Gal?N L-GalaN ?-?-GalpN b-?-GalfN a-?-Gal?N			2097 1928 96 57 30 20 17 8 7 6 6 3 3 2 1 1 1	1798 1663 81 57 30 20 17 5 7 6 5 3 3 2 1 1 1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onoodo [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onoodo [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 onoodo [CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH]=O Anoooo 3 variants possible; use an icon → ?no??o [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](O)1 onodoo 2 variants possible; use an icon → onoodo 2 variants possible; use an icon → onoodo 2 variants possible; use an icon → ?no??o 2 variants possible; use an icon → ?no??o 6 variants possible; use an icon → ?no??o [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@@H](O)1 onodoo 4 variants possible; use an icon → ?no??o [CH2](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](N)[CH]=O Anoooo 2 variants possible; use an icon → onoodo 2 variants possible; use an icon → onodoo 4 variants possible; use an icon → ?no??o
GalN1N	hex	ald	1	1	?2112h_1N_2N111112	1,2-diamino-1,2-dideoxygalactose (used for N-glycans)
?-D-GalpN1N b-D-GalpN1N			2 2	2 2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](N)1 nnoodo [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](N)1 nnoodo
GalN3N	hex	ald	0	0	?2112h_2N_3N111112	2,3-diamino-2,3-dideoxygalactose
no configuration variants are populated					Annooo (acyclic), onnodo (pyranose), onndoo (furanose)
GalN3NA	hex	ald	4	2	?2112A_2N_3N111110	2,3-diamino-2,3-dideoxygalacturonic acid
a-L-GalpN3NA a-D-GalpN3NA b-L-GalpN3NA b-D-GalpN3NA a-?-GalpN3NA			25 9 2 1 1	18 6 2 1 1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](N)[C@H](N)[C@H](O)1 onnoda [C](=O)(O)[C@@H](O1)[C@H](O)[C@H](N)[C@@H](N)[C@@H](O)1 onnoda [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](N)[C@H](N)[C@@H](O)1 onnoda [C](=O)(O)[C@@H](O1)[C@H](O)[C@H](N)[C@@H](N)[C@H](O)1 onnoda 2 variants possible; use an icon → onnoda
GalNA	hex	ald	331	122	?2112A_2*N111110	2-amino-2-deoxygalacturonic acid
a-D-GalpNA a-L-GalpNA b-D-GalpNA ?-D-GalpNA a-?-GalpNA b-L-GalpNA ?-?-GalpNA			418 70 11 3 2 2 2	290 69 11 3 2 2 2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onooda [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@H](O)1 onooda [C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onooda [C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 onooda 2 variants possible; use an icon → onooda [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@@H](O)1 onooda 2 variants possible; use an icon → onooda
Glc	hex	ald	19591	4101	?2122h111112	glucose
b-D-Glcp a-D-Glcp ?-D-Glcp ?-D-Glc? b-?-Glcp ?-?-Glc? a-?-Glcp b-?-Glc? ?-?-Glcp a-D-Glc? b-D-Glc? a-?-Glc? b-D-Glcf a-D-Glcf a-L-Glcp b-L-Glcp ?-L-Glcp			24190 9427 870 235 136 112 85 82 64 58 50 24 11 4 3 2 1	14429 5398 632 227 67 25 56 25 39 42 50 20 5 3 3 2 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 oooodo 3 variants possible; use an icon → ?oo??o 2 variants possible; use an icon → oooodo 6 variants possible; use an icon → ?oo??o 2 variants possible; use an icon → oooodo 4 variants possible; use an icon → ?oo??o 2 variants possible; use an icon → oooodo 2 variants possible; use an icon → ?oo??o 2 variants possible; use an icon → ?oo??o 4 variants possible; use an icon → ?oo??o [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodoo [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ooodoo [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodo [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 oooodo [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 oooodo
Glc1N	hex	ald	20	16	?2122h_1*N111112	1-amino-1-deoxyglucose (used for N-glycans)
b-D-Glcp1N ?-D-Glcp1N			49 7	49 7	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](N)1 nooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](N)1 nooodo
Glc1S	hex	ald	10	2	?2122m_1*S111112	1-thioglucose (with C-SH bond)
b-D-Glcp1S ?-D-Glcp1S			59 8	59 8	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](S)1 hooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](S)1 hooodo
Glc3N	hex	ald	2	2	?2122h_3*N111112	3-amino-3-deoxy-glucose (kanosamine when D)
a-D-Glcp3N			6	6	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@@H](O)1 oonodo
Glc3NA	hex	ald	1	1	?2122A_3*N111110	3-amino-3-deoxyglucuronic acid
b-D-Glcp3NA			17	10	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)1 oonoda
Glc6N	hex	ald	2	2	?2122h_6*N111112	6-amino-6-deoxyglucose
a-D-Glcp6N b-D-Glcp6N			3 1	3 1	[CH2](N)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodn [CH2](N)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodn
GlcA	hex	ald	1781	736	?2122A111110	glucuronic acid
b-D-GlcpA a-D-GlcpA ?-D-GlcpA b-?-GlcpA b-D-Glc?A ?-?-GlcpA a-?-GlcpA ?-D-Glc?A ?-?-Glc?A b-?-Glc?A a-L-GlcpA D-GlcaA			3042 737 77 44 14 10 10 7 6 3 2 1	2687 688 58 33 14 6 10 7 4 3 2 1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooooda [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ooooda [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ooooda 2 variants possible; use an icon → ooooda 2 variants possible; use an icon → ?oo??a 2 variants possible; use an icon → ooooda 2 variants possible; use an icon → ooooda 3 variants possible; use an icon → ?oo??a 4 variants possible; use an icon → ?oo??a 4 variants possible; use an icon → ?oo??a [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ooooda [C](=O)(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[CH]=O Aooooa
GlcN	hex	ald	9583	2879	?2122h_2*N111112	2-amino-2-deoxyglucose
b-D-GlcpN a-D-GlcpN ?-D-GlcpN ?-D-Glc?N b-D-Glc?N a-D-Glc?N b-?-GlcpN b-?-Glc?N ?-?-GlcpN a-?-GlcpN ?-?-Glc?N a-?-Glc?N a-L-GlcpN b-L-GlcpN b-?-GlcfN			9496 4612 595 342 77 54 41 35 20 20 15 11 1 1 1	6795 4084 541 340 70 54 25 26 18 20 15 11 1 1 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onoodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onoodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 onoodo 3 variants possible; use an icon → ?no??o 2 variants possible; use an icon → ?no??o 2 variants possible; use an icon → ?no??o 2 variants possible; use an icon → onoodo 4 variants possible; use an icon → ?no??o 2 variants possible; use an icon → onoodo 2 variants possible; use an icon → onoodo 6 variants possible; use an icon → ?no??o 4 variants possible; use an icon → ?no??o [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@H](O)1 onoodo [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](O)1 onoodo 2 variants possible; use an icon → onodoo
GlcN1N	hex	ald	83	59	?2122h_1N_2N111112	1,2-diamino-1,2-dideoxyglucose (used for N-glycans)
b-D-GlcpN1N ?-D-GlcpN1N ?-D-Glc?N1N b-D-Glc?N1N ?-?-Glc?N1N b-?-Glc?N1N a-D-GlcpN1N ?-?-GlcpN1N			207 57 12 6 5 4 1 1	207 57 12 6 5 4 1 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](N)1 nnoodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](N)1 nnoodo 2 variants possible; use an icon → nno??o 2 variants possible; use an icon → nno??o 4 variants possible; use an icon → nno??o 4 variants possible; use an icon → nno??o [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](N)1 nnoodo 2 variants possible; use an icon → nnoodo
GlcN3N	hex	ald	119	57	?2122h_2N_3N111112	2,3-diamino-2,3-dideoxyglucose
b-D-GlcpN3N a-D-GlcpN3N ?-D-GlcpN3N ?-D-Glc?N3N			90 69 4 1	87 69 3 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@H](O)1 onnodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@@H](O)1 onnodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[CH](O)1 onnodo 3 variants possible; use an icon → ?nn??o
GlcN3NA	hex	ald	155	60	?2122A_2N_3N111110	2,3-diamino-2,3-dideoxyglucuronic acid
b-D-GlcpN3NA a-D-GlcpN3NA ?-D-GlcpN3NA b-L-GlcpN3NA b-?-GlcpN3NA			164 9 6 2 1	137 9 6 2 1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@H](O)1 onnoda [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@@H](O)1 onnoda [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[CH](O)1 onnoda [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](N)[C@@H](O)1 onnoda 2 variants possible; use an icon → onnoda
GlcNA	hex	ald	44	25	?2122A_2*N111110	2-amino-2-deoxyglucuronic acid
b-D-GlcpNA a-D-GlcpNA a-D-Glc?NA b-D-Glc?NA ?-D-GlcpNA b-L-GlcpNA ?-D-Glc?NA ?-?-Glc?NA			44 32 1 1 1 1 1 1	36 32 1 1 1 1 1 1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onooda [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onooda 2 variants possible; use an icon → ?no??a 2 variants possible; use an icon → ?no??a [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 onooda [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](O)1 onooda 3 variants possible; use an icon → ?no??a 4 variants possible; use an icon → ?no??a
Gul	hex	ald	1	1	?2212h111112	gulose
a-L-Gulp ?-D-Gulp a-D-Gulp b-L-Gulp			5 2 1 1	5 2 1 1	[CH2](O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooodo [CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 oooodo [CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 oooodo [CH2](O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 oooodo
GulA	hex	ald	21	9	?2212A111110	guluronic acid
a-L-GulpA ?-L-Gul?A a-L-Gul?A b-D-GulpA b-L-GulpA			71 6 3 2 1	59 6 2 2 1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ooooda 3 variants possible; use an icon → ?oo??a 2 variants possible; use an icon → ?oo??a [C](=O)(O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 ooooda [C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ooooda
GulN3N	hex	ald	0	0	?2212h_2N_3N111112	2,3-diamino-2,3-dideoxygulose
no configuration variants are populated					Annooo (acyclic), onnodo (pyranose), onndoo (furanose)
GulN3NA	hex	ald	11	5	?2212A_2N_3N111110	2,3-diamino-2,3-dideoxyguluronic acid
a-L-GulpN3NA ?-L-GulpN3NA b-D-GulpN3NA			36 2 2	35 2 2	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](N)[C@H](N)[C@H](O)1 onnoda [C](=O)(O)[C@H](O1)[C@@H](O)[C@H](N)[C@H](N)[CH](O)1 onnoda [C](=O)(O)[C@@H](O1)[C@H](O)[C@@H](N)[C@@H](N)[C@H](O)1 onnoda
GulNA	hex	ald	17	17	?2212A_2*N111110	2-amino-2-deoxyguluronic acid
a-L-GulpNA b-L-GulpNA			43 1	39 1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)1 onooda [C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)1 onooda
IdoA	hex	ald	18	7	?1212A111110	iduronic acid
a-L-IdopA ?-?-Ido?A a-?-IdopA a-D-IdopA ?-?-IdopA			19 2 1 1 1	19 2 1 1 1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooooda 4 variants possible; use an icon → ?oo??a 2 variants possible; use an icon → ooooda [C](=O)(O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooooda 2 variants possible; use an icon → ooooda
IdoN3N	hex	ald	0	0	?1212h_2N_3N111112	2,3-diamino-2,3-dideoxyidose
no configuration variants are populated					Annooo (acyclic), onnodo (pyranose), onndoo (furanose)
LDidoHep	hep*	ald	3	3	?12121h1111112	L-glycero-D-ido-heptose
a-LDidoHepp			5	5	[CH2](O)[C@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 oooodoo
LDmanHep	hep*	ald	1168	224	?11221h1111112	L-glycero-D-manno-heptose
a-LDmanHepp ?-LDmanHepp a-LDmanHep? ?-LDmanHep? b-LDmanHepp			5999 74 49 32 19	2306 43 31 30 19	[CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 oooodoo [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 oooodoo 2 variants possible; use an icon → ?oo??oo 3 variants possible; use an icon → ?oo??oo [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooodoo
Lincose1SMe6N	non*	ald	0	0	a211222m_1SC_6N111111133	6-amino-6,8-dideoxy-1-methylthio-D-erythro-D-galactose (methyl-thio-lincosamide)
no configuration variants are populated					hooodnodd (pyranose), hoodonodd (furanose)
LLmanHep	hep*	ald	144	12	?22111h1111112	L-glycero-L-manno-heptose
a-LLmanHepp			57	12	[CH2](O)[C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodoo
Lyx	pen	ald	5	4	?112h11112	lyxose
a-D-Lyxp b-D-Lyxp a-L-Lyxp ?-L-Lyxp			11 8 4 1	10 5 4 1	[CH2](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ooood [CH2](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ooood [CH2](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 ooood [CH2](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 ooood
Man	hex	ald	21489	2458	?1122h111112	mannose
a-D-Manp b-D-Manp a-?-Manp ?-D-Manp a-?-Man? ?-D-Man? b-?-Manp a-D-Man? a-L-Manp ?-?-Manp ?-?-Man? b-?-Man? b-D-Man? a-L-Man? b-D-Manf b-L-Manp a-D-Manf ?-L-Man? ?-L-Manp a-?-Manf b-?-Manf			19510 4236 751 590 223 176 138 127 92 49 33 29 19 15 10 8 4 3 1 1 1	5118 2955 236 377 53 175 116 83 86 41 18 19 19 3 6 8 4 3 1 1 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 oooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooodo 2 variants possible; use an icon → oooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 oooodo 4 variants possible; use an icon → ?oo??o 3 variants possible; use an icon → ?oo??o 2 variants possible; use an icon → oooodo 2 variants possible; use an icon → ?oo??o [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodo 2 variants possible; use an icon → oooodo 4 variants possible; use an icon → ?oo??o 4 variants possible; use an icon → ?oo??o 2 variants possible; use an icon → ?oo??o 2 variants possible; use an icon → ?oo??o [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1 ooodoo [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 oooodo [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)1 ooodoo 3 variants possible; use an icon → ?oo??o [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 oooodo 2 variants possible; use an icon → ooodoo 2 variants possible; use an icon → ooodoo
Man1N	hex	ald	7	3	?1122h_1*N111112	1-amino-1-deoxymannose
a-D-Manp1N ?-D-Manp1N b-?-Manp1N b-D-Manp1N b-D-Man?1N			15 12 3 3 1	15 12 3 3 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)1 nooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](N)1 nooodo 2 variants possible; use an icon → nooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](N)1 nooodo 2 variants possible; use an icon → noo??o
ManA	hex	ald	36	13	?1122A111110	mannuronic acid
b-D-ManpA ?-D-ManpA ?-D-Man?A a-D-ManpA b-D-Man?A ?-L-ManpA			100 4 1 1 1 1	67 2 1 1 1 1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ooooda [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ooooda 3 variants possible; use an icon → ?oo??a [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ooooda 2 variants possible; use an icon → ?oo??a [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 ooooda
ManN	hex	ald	596	133	?1122h_2*N111112	2-amino-2-deoxymannose
b-D-ManpN a-D-ManpN b-?-ManpN ?-D-ManpN ?-?-ManpN			279 109 28 16 1	225 80 7 16 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)1 onoodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)1 onoodo 2 variants possible; use an icon → onoodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[CH](O)1 onoodo 2 variants possible; use an icon → onoodo
ManN3N	hex	ald	0	0	?1122h_2N_3N111112	2,3-diamino-2,3-dideoxymannose
no configuration variants are populated					Annooo (acyclic), onnodo (pyranose), onndoo (furanose)
ManN3NA	hex	ald	102	34	?1122A_2N_3N111110	2,3-diamino-2,3-dideoxymannuronic acid
b-D-ManpN3NA a-D-ManpN3NA ?-D-ManpN3NA ?-?-ManpN3NA			215 2 1 1	148 2 1 1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[C@H](O)1 onnoda [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[C@@H](O)1 onnoda [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[CH](O)1 onnoda 2 variants possible; use an icon → onnoda
ManNA	hex	ald	182	66	?1122A_2*N111110	2-amino-2-deoxymannuronic acid
b-D-ManpNA ?-D-ManpNA a-D-ManpNA b-D-Man?NA ?-?-ManpNA			168 4 3 2 2	147 3 3 2 1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)1 onooda [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[CH](O)1 onooda [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)1 onooda 2 variants possible; use an icon → ?no??a 2 variants possible; use an icon → onooda
Mur	non*	ald	18	13	?2122h_2N_3OC^RCO/4=O/3C111112103	2-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (muramic acid)
b-Murp a-Murp ?-Mur? ?-Murp b-Mur? Mura a-Mur?			86 78 30 24 5 4 2	62 78 26 20 5 4 2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@H](O)1 onxododad [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@@H](O)1 onxododad 3 variants possible; use an icon → ?nx??odad [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH](O)1 onxododad 2 variants possible; use an icon → ?nx??odad [CH2](O)[C@@H](O)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH]=O Anxooodad 2 variants possible; use an icon → ?nx??odad
Myc	oct*	ald	0	0	?2122m_3*NC/2C11111333	3-dimethylamino-3,6-dideoxy-D-glucose (mycaminose)
no configuration variants are populated					Aonooddd (acyclic), oonodddd (pyranose), ooododdd (furanose)
Oli	hex	ald	14	10	?d122m121113	2,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose
b-D-Olip b-?-Olip a-L-Olip a-D-Olip ?-D-Oli? a-?-Olip ?-D-Olip			314 39 20 11 2 1 1	211 22 19 11 2 1 1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1 odoodd 2 variants possible; use an icon → odoodd [CH3][C@H](O1)[C@H](O)[C@@H](O)[CH2][C@H](O)1 odoodd [CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@@H](O)1 odoodd 3 variants possible; use an icon → ?do??d 2 variants possible; use an icon → odoodd [CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][CH](O)1 odoodd
Par	hex*	ald	83	16	?2d22m112113	3,6-dideoxy-D-ribo-hexose (paratose), 3dQui=3,6dAll
a-Parp b-Parf b-Parp a-Parf ?-Par? a-Par? ?-Parp			44 11 9 3 2 2 1	39 11 9 3 2 2 1	[CH3][C@@H](O1)[C@@H](O)[CH2][C@@H](O)[C@@H](O)1 oododd [CH3][C@@H](O)[C@@H](O1)[CH2][C@@H](O)[C@H](O)1 ooddod [CH3][C@@H](O1)[C@@H](O)[CH2][C@@H](O)[C@H](O)1 oododd [CH3][C@@H](O)[C@@H](O1)[CH2][C@@H](O)[C@@H](O)1 ooddod 2 variants possible; use an icon → ?od??d 2 variants possible; use an icon → ?od??d [CH3][C@@H](O1)[C@@H](O)[CH2][C@@H](O)[CH](O)1 oododd
Pau4CHe	oct	ald	25	10	?d112m_41CC/2O212101313	2,6-dideoxy-4C-(1-hydroxyethyl)-lyxo-hexose (paulomycose, default: L, stereo at C7 unknown)
a-L-Paup4CHe			23	23	[CH3][CH](O)[C@@]1(O)[C@H]([CH2])O[C@@H](O)[CH2][C@@H]1O odooddod
Qui	hex	ald	4	3	?2122m111113	6-deoxyglucose (quinovose) (3-O-methyl derivative = thevetose)
b-D-Quip a-L-Quip ?-D-Qui? a-D-Quip b-L-Quip b-D-Qui? ?-D-Quip			204 14 7 5 3 1 1	177 14 7 5 3 1 1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodd [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodd 3 variants possible; use an icon → ?oo??d [CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodd [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 oooodd 2 variants possible; use an icon → ?oo??d [CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 oooodd
Qui1N4N	hex	ald	2	1	?2122m_1N_4N111113	1,4-diamino-1,4,6-trideoxyglucopyranose
b-D-Quip1N4N			1	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@H](N)1 noondd
Qui3N	hex	ald	71	54	?2122m_3*N111113	3-amino-3,6-dideoxyglucose
b-D-Quip3N a-D-Quip3N b-L-Quip3N b-D-Qui?3N b-?-Quip3N ?-D-Qui?3N ?-D-Quip3N a-L-Quip3N a-?-Quip3N			139 45 16 2 2 2 2 1 1	126 45 9 2 2 2 2 1 1	[CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)1 oonodd [CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@@H](O)1 oonodd [CH3][C@H](O1)[C@H](O)[C@@H](N)[C@H](O)[C@@H](O)1 oonodd 2 variants possible; use an icon → ?on??d 2 variants possible; use an icon → oonodd 3 variants possible; use an icon → ?on??d [CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[CH](O)1 oonodd [CH3][C@H](O1)[C@H](O)[C@@H](N)[C@H](O)[C@H](O)1 oonodd 2 variants possible; use an icon → oonodd
Qui4N	hex	ald	80	44	?2122m_4*N111113	4-amino-4,6-dideoxyglucose (viosamine if D)
b-D-Quip4N a-D-Quip4N ?-D-Quip4N b-D-Qui?4N b-?-Quip4N ?-?-Quip4N a-D-Qui?4N ?-D-Qui?4N			178 37 8 4 2 2 1 1	175 36 8 4 2 2 1 1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)1 ooondd [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@@H](O)1 ooondd [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[CH](O)1 ooondd [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)1 ?oon?d 2 variants possible; use an icon → ooondd 2 variants possible; use an icon → ooondd [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@@H](O)1 ?oon?d 2 variants possible; use an icon → ?oon?d
QuiN	hex	ald	256	134	?2122m_2*N111113	2-amino-2,6-dideoxyglucose
b-D-QuipN a-L-QuipN a-D-QuipN ?-D-QuipN b-L-QuipN ?-D-Qui?N ?-?-QuipN b-?-QuipN			253 118 109 16 9 6 2 2	248 83 101 13 9 6 2 2	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onoodd [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@H](O)1 onoodd [CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onoodd [CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 onoodd [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](O)1 onoodd 3 variants possible; use an icon → ?no??d 2 variants possible; use an icon → onoodd 2 variants possible; use an icon → onoodd
QuiN1N4N	hex	ald	1	1	?2122m_1N_2N_4*N111113	1,2,4-triamino-1,2,4,6-tetradeoxyglucopyranose (used for N-glycans)
b-D-QuipN1N4N a-D-QuipN1N4N			2 1	2 1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@H](N)1 nnondd [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@@H](N)1 nnondd
QuiN4N	hex	ald	261	114	?2122m_2N_4N111113	2,4-diamino-2,4,6-trideoxyglucose (bacillosamine)
b-D-QuipN4N a-D-QuipN4N ?-D-QuipN4N ?-D-Qui?N4N a-D-Qui?N4N ?-?-QuipN4N a-?-QuipN4N a-L-QuipN4N			211 86 7 5 3 2 1 1	206 83 7 5 3 2 1 1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@H](O)1 onondd [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@@H](O)1 onondd [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[CH](O)1 onondd 2 variants possible; use an icon → ?non?d [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@@H](O)1 ?non?d 2 variants possible; use an icon → onondd 2 variants possible; use an icon → onondd [CH3][C@H](O1)[C@H](N)[C@@H](O)[C@H](N)[C@H](O)1 onondd
Rha	hex	ald	5125	1312	?1122m111113	6-deoxymannose (rhamnose)
a-L-Rhap a-D-Rhap b-L-Rhap ?-L-Rhap ?-?-Rhap b-D-Rhap a-?-Rhap ?-L-Rha? a-L-Rha? b-?-Rhap ?-?-Rha? b-L-Rha? ?-D-Rha? L-Rhaa a-?-Rha? b-?-Rha? ?-D-Rhap b-L-Rhaf a-D-Rha?			9564 677 606 176 175 123 116 81 33 18 17 4 4 4 3 2 2 1 1	5899 292 546 126 78 103 69 81 32 14 14 4 4 4 3 2 2 1 1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodd [CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 oooodd [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 oooodd [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 oooodd 2 variants possible; use an icon → oooodd [CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooodd 2 variants possible; use an icon → oooodd 3 variants possible; use an icon → ?oo??d 2 variants possible; use an icon → ?oo??d 2 variants possible; use an icon → oooodd 6 variants possible; use an icon → ?oo??d 2 variants possible; use an icon → ?oo??d 3 variants possible; use an icon → ?oo??d [CH3][C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH]=O Aooood 4 variants possible; use an icon → ?oo??d 4 variants possible; use an icon → ?oo??d [CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 oooodd [CH3][C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)1 ooodod 2 variants possible; use an icon → ?oo??d
Rha3CMe	hep	ald	3	2	?1522m_3*C1101133	3-C-methylrhamnose (evalose)
b-D-Rhap3CMe a-L-Rhap3CMe b-?-Rhap3CMe			5 3 2	3 3 1	[CH3][C@@H](O1)[C@@H](O)[C@]([CH3])(O)[C@H](O)[C@H](O)1 ooooddd [CH3][C@H](O1)[C@H](O)[C@@]([CH3])(O)[C@@H](O)[C@H](O)1 ooooddd 2 variants possible; use an icon → ooooddd
Rha3N	hex	ald	13	7	?1122m_3*N111113	3-amino-3,6-dideoxymannose (mycosamine if D)
b-D-Rhap3N			13	13	[CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@H](O)[C@H](O)1 oonodd
Rha4N	hex	ald	263	28	?1122m_4*N111113	4-amino-4,6-dideoxymannose (perosamine if D)
a-D-Rhap4N b-D-Rhap4N a-L-Rhap4N a-D-Rha?4N a-?-Rhap4N ?-D-Rhap4N			424 19 16 10 7 1	178 19 12 4 3 1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](O)[C@@H](O)1 ooondd [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](O)[C@H](O)1 ooondd [CH3][C@H](O1)[C@H](N)[C@@H](O)[C@@H](O)[C@H](O)1 ooondd [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](O)[C@@H](O)1 ?oon?d 2 variants possible; use an icon → ooondd [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](O)[CH](O)1 ooondd
RhaN	hex	ald	13	7	?1122m_2*N111113	2-amino-2,6-dideoxymannose
a-L-RhapN b-L-RhapN a-D-RhapN ?-L-Rha?N			7 3 3 1	7 3 2 1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](N)[C@H](O)1 onoodd [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](N)[C@@H](O)1 onoodd [CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)1 onoodd 3 variants possible; use an icon → ?no??d
RhaN3N	hex	ald	12	8	?1122m_2N_3N111113	2,3-diamino-2,3,6-trideoxymannose
b-L-RhapN3N ?-L-RhapN3N b-D-RhapN3N			20 1 1	20 1 1	[CH3][C@H](O1)[C@H](O)[C@@H](N)[C@@H](N)[C@@H](O)1 onnodd [CH3][C@H](O1)[C@H](O)[C@@H](N)[C@@H](N)[CH](O)1 onnodd [CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[C@H](O)1 onnodd
RhaN4N	hex	ald	2	2	?1122m_2N_4N111113	2,4-diamino-2,4,6-trideoxymannose
a-D-Rha?N4N a-D-RhapN4N b-D-RhapN4N			1 1 1	1 1 1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](N)[C@@H](O)1 ?non?d [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](N)[C@@H](O)1 onondd [CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](N)[C@H](O)1 onondd
Rho	hex*	ald	14	10	?dd21m122113	2,3,6-trideoxy-L-threo-hexose (rhodinose)
a-Rhop b-Rhop			47 2	32 2	[CH3][C@H](O1)[C@@H](O)[CH2][CH2][C@H](O)1 oddodd [CH3][C@H](O1)[C@@H](O)[CH2][CH2][C@@H](O)1 oddodd
Rhon	oct	ald	3	3	?d112m_3*NC/2C12111333	3-dimethylamino-2,3,6-trideoxy-lyxo-hexose (rhodosamine)
a-L-Rhonp ?-D-Rhonp a-D-Rhonp			29 1 1	24 1 1	[CH3][C@H](O1)[C@@H](O)[C@@H](N([CH3])[CH3])[CH2][C@H](O)1 odnodddd [CH3][C@@H](O1)[C@H](O)[C@H](N([CH3])[CH3])[CH2][CH](O)1 odnodddd [CH3][C@@H](O1)[C@H](O)[C@H](N([CH3])[CH3])[CH2][C@@H](O)1 odnodddd
Rib	pen	ald	350	154	?222h11112	ribose
b-D-Ribf a-D-Ribf b-D-Ribp ?-D-Rib? a-?-Ribf b-?-Ribf ?-D-Ribf b-?-Ribp ?-?-Ribf ?-D-Ribp			294 63 45 5 5 4 4 2 1 1	239 60 43 5 5 4 4 1 1 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1 ooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)1 ooodo [CH2](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 ooood 3 variants possible; use an icon → ?oo?? 2 variants possible; use an icon → ooodo 2 variants possible; use an icon → ooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[CH](O)1 ooodo 2 variants possible; use an icon → ooood 2 variants possible; use an icon → ooodo [CH2](O1)[C@@H](O)[C@@H](O)[C@@H](O)[CH](O)1 ooood
RibA	pen	ald	1	1	?222A11110	riburonic acid
a-D-RibfA ?-D-RibfA			2 1	2 1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)1 oooda [C](=O)(O)[C@@H](O1)[C@@H](O)[C@@H](O)[CH](O)1 oooda
Tal	hex	ald	1	1	?1112h111112	talose
a-L-Talp a-D-Talp a-?-Talp			4 3 2	4 3 2	[CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodo [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)1 oooodo 2 variants possible; use an icon → oooodo
TalA	hex	ald	0	0	?1112A111110	taluronic acid
no configuration variants are populated					Aooooa (acyclic), ooooda (pyranose), ooodoa (furanose)
TalN3N	hex	ald	0	0	?1112h_2N_3N111112	2,3-diamino-2,3-dideoxytalose
no configuration variants are populated					Annooo (acyclic), onnodo (pyranose), onndoo (furanose)
TalNA	hex	ald	0	0	?1112A_2*N111110	2-amino-2-deoxytaluronic acid
no configuration variants are populated					Anoooa (acyclic), onooda (pyranose), onodoa (furanose)
Thre	tet	ald	0	0	?12h1112	threose
no configuration variants are populated					Aooo (acyclic), oood (furanose)
ThreN	tet	ald	0	0	?12h_2*N1112	2-amino-2-deoxythreose
no configuration variants are populated					onoo (acyclic), onod (furanose)
Tyv	hex*	ald	43	19	?1d22m112113	3,6-dideoxy-D-arabino-hexose (tyvelose), 3dRha=3,6dAlt
a-Tyvp b-Tyvp ?-Tyvp ?-Tyv?			86 4 2 1	76 4 2 1	[CH3][C@@H](O1)[C@@H](O)[CH2][C@H](O)[C@@H](O)1 oododd [CH3][C@@H](O1)[C@@H](O)[CH2][C@H](O)[C@H](O)1 oododd [CH3][C@@H](O1)[C@@H](O)[CH2][C@H](O)[CH](O)1 oododd 2 variants possible; use an icon → ?od??d
Xyl	pen	ald	946	228	?212h11112	xylose
b-D-Xylp a-D-Xylp b-?-Xylp ?-D-Xylp b-L-Xylp ?-D-Xyl? b-D-Xyl? ?-?-Xylp b-?-Xyl? ?-?-Xyl? a-?-Xylp b-D-Xylf ?-L-Xylp a-D-Xylf b-L-Xyl? a-L-Xylp D-Xyla b-L-Xylf			3346 808 147 133 73 56 42 40 18 10 10 6 4 3 3 2 1 1	2216 352 116 109 38 54 26 27 7 8 10 6 1 3 1 1 1 1	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooood [CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ooood 2 variants possible; use an icon → ooood [CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ooood [CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooood 3 variants possible; use an icon → ?oo?? 2 variants possible; use an icon → ?oo?? 2 variants possible; use an icon → ooood 4 variants possible; use an icon → ?oo?? 6 variants possible; use an icon → ?oo?? 2 variants possible; use an icon → ooood [CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodo [CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 ooood [CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ooodo 2 variants possible; use an icon → ?oo?? [CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ooood [CH2](O)[C@@H](O)[C@H](O)[C@@H](O)[CH]=O Aoooo [CH2](O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1 ooodo
xylHex-4-ulo	hex	ald	0	0	?21U2h111012	xylo-hexos-4-ulose
no configuration variants are populated					Aooxoo (acyclic), oooxdo (pyranose)
Yer	oct*	ald	9	6	?2d12m_41C^SC/2O211201313	3,6-dideoxy-4-C-[(S)-1-hydroxyethyl]-D-xylo-hexose (yersiniose or yersiniose A)
a-Yerp b-Yerp a-Yer? b-Yer?			13 10 3 1	12 10 2 1	[CH3][C@@H](O1)[C@]([C@@H](O)[CH3])(O)[CH2][C@@H](O)[C@@H](O)1 oodxddod [CH3][C@@H](O1)[C@]([C@@H](O)[CH3])(O)[CH2][C@@H](O)[C@H](O)1 oodxddod [CH3][C@@H](O1)[C@]([C@@H](O)[CH3])(O)[CH2][C@@H](O)[C@@H](O)1 ?odx?dod [CH3][C@@H](O1)[C@]([C@@H](O)[CH3])(O)[CH2][C@@H](O)[C@H](O)1 ?odx?dod

Residue	Size	Type	Abundance	Structures	WURCSProton count / Atom types	Description
2,7anhSed	hep	ket	0	0	h?1222h_2-72011112	2,7-anhydro-altro-hept-2-ulopyranose (sedoheptulosan if D)
no configuration variants are populated					oxooodx (pyranose), oxoodox (furanose)
3dlyxHep-ulosaric	hep	ket	1	1	A?d112A0021110	3-deoxy-lyxo-hept-2-ulosaric acid (Dha_A when D)
a-D-3dlyxHepp-ulosaric ?-?-3dlyxHepp-ulosaric a-?-3dlyxHepp-ulosaric ?-D-3dlyxHepp-ulosaric b-D-3dlyxHepp-ulosaric ?-?-3dlyxHep?-ulosaric			15 8 7 6 3 1	9 6 7 6 3 1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aodooda 2 variants possible; use an icon → aodooda 2 variants possible; use an icon → aodooda [C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O) aodooda [C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@](O)1[C](=O)(O) aodooda 6 variants possible; use an icon → a?do??a
3dthrHex-ulosonic	hex	ket	1	1	A?d12h002112	3-deoxy-threo-hex-2-ulosonic acid
b-D-3dthrHex?-ulosonic			1	1	2 variants possible; use an icon → a?do??
4,7anhKdo	oct*	ket	15	5	A?d1122h_4-700211112	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
?-4,7anhKdo? 4,7anhKdoa a-4,7anhKdo?			4 4 1	4 4 1	3 variants possible; use an icon → a?dx??xo [CH2](O)[C@@H](O2)[C@@H](O)[C@H](O)[C@H]2[CH2][C](=O)[C](=O)(O) axdxooxo 2 variants possible; use an icon → a?dx??xo
4,8anhKdo	oct*	ket	3	2	A?d1122h_4-800211112	4,8-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
4,8anhKdoa ?-4,8anhKdo? a-4,8anhKdop			4 1 1	4 1 1	[CH2](O2)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2[CH2][C](=O)[C](=O)(O) axdxooox 3 variants possible; use an icon → a?dx??ox [CH2](O2)[C@@H](O)[C@@H](O1)[C@H](O)[C@H]2[CH2][C@@](O)1[C](=O)(O) aodxodox
4eLeg	non*	ket	3	2	A?d11122m_5N_7N002111113	4-epilegionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-talo-non-2-ulosonic)
a-4eLegp a-4eLeg? ?-4eLegp b-4eLeg? ?-4eLeg? b-4eLegp			8 2 2 1 1 1	8 2 2 1 1 1	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod [CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O) a?don?nod [CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C](O)1[C](=O)(O) aodondnod [CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O) a?don?nod 2 variants possible; use an icon → a?don?nod [CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod
8eAci	non*	ket	5	3	A?d21112m_5N_7N002111113	8-epiacinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-altro-non-2-ulosonic)
?-8eAcip a-8eAcip b-8eAcip			5 2 1	5 2 1	[CH3][C@@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondnod [CH3][C@@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod [CH3][C@@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod
8eLeg	non*	ket	19	10	A?d21121m_5N_7N002111113	8-epilegionaminic (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonic)
a-8eLegp b-8eLegp ?-8eLegp ?-8eLeg? b-8eLeg?			52 6 5 4 1	51 6 5 4 1	[CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod [CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod [CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondnod 2 variants possible; use an icon → a?don?nod [CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) a?don?nod
8ePse	non*	ket	3	3	A?d22112m_5N_7N002111113	8-epipseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-manno-non-2-ulosonic)
?-8ePsep b-8ePsep			2 2	2 2	[CH3][C@@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondnod [CH3][C@@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod
Aci	non*	ket	13	4	A?d21111m_5N_7N002111113	acinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-altro-non-2-ulosonic)
a-Acip ?-Acip			6 4	6 4	[CH3][C@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod [CH3][C@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondnod
DD3,9dgulNon5N7N-ulosonic	non*	ket	0	0	A?d22122m_5N_7N002111113	5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-gulo-non-2-ulosonic acid
no configuration variants are populated					axdononod (acyclic), aodondnod (pyranose)
DL3,9dgalNon5N7N-ulosonic	non*	ket	3	3	A?d12212m_5N_7N002111113	5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-galacto-non-2-ulosonic acid
a-DL3,9dgalNonp5N7N-ulosonic b-DL3,9dgalNon?5N7N-ulosonic ?-DL3,9dgalNon?5N7N-ulosonic a-DL3,9dgalNon?5N7N-ulosonic b-DL3,9dgalNonp5N7N-ulosonic ?-DL3,9dgalNonp5N7N-ulosonic			9 4 3 2 2 1	9 4 3 2 2 1	[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod [CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O) a?don?nod [CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C](O)1[C](=O)(O) a?don?nod [CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O) a?don?nod [CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod [CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C](O)1[C](=O)(O) aodondnod
DL3,9dglcNon5N7N-ulosonic	non*	ket	11	6	A?d12112m_5N_7N002111113	5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-gluco-nonulosonic acid
b-DL3,9dglcNonp5N7N-ulosonic a-DL3,9dglcNonp5N7N-ulosonic			6 1	6 1	[CH3][C@H]([C@@H]([C@@H]1O[C@@]([C](O)=O)([CH2][C@H]([C@@H]1N)O)O)N)O aodondnod [CH3][C@H]([C@@H]([C@@H]1O[C@]([C](O)=O)([CH2][C@H]([C@@H]1N)O)O)N)O aodondnod
Eru	tet	ket	0	0	hO2h2012	erythrulose
no configuration variants are populated					oxoo (acyclic)
Fru	hex	ket	636	88	h?122h201112	fructose (arabino-hex-2-ulose)
b-D-Fruf a-D-Fruf a-D-Frup b-D-Frup ?-D-Fru? ?-D-Fruf ?-?-Fru? b-?-Fruf ?-D-Frup			587 25 18 11 9 7 3 1 1	403 24 18 11 9 7 3 1 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@](O)1[CH2](O) oooodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@](O)1[CH2](O) oooodo [CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)1[CH2](O) oooood [CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@](O)1[CH2](O) oooood 3 variants possible; use an icon → o?oo?? [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C](O)1[CH2](O) oooodo 6 variants possible; use an icon → o?oo?? 2 variants possible; use an icon → oooodo [CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C](O)1[CH2](O) oooood
Fucl	hex	ket	0	0	h?112m201113	6-deoxy-tagatose (fucolose when L)
no configuration variants are populated					oxoood (acyclic), oooodd (furanose)
Fus	non*	ket	12	5	A?d12111m_5*N002111113	fusaminic acid (5-amino-3,5,9-trideoxy-L-glycero-L-gluco-nonulosonic)
b-Fusp			5	5	[CH3][C@@H]([C@@H]([C@@H]1O[C@@]([C](O)=O)([CH2][C@H]([C@@H]1N)O)O)O)O aodondood
Kdn	non*	ket	31	19	A?d21122h002111112	ketodeoxynononic acid (3-deoxy-D-glycero-D-galacto-non-2-ulosonic)
a-Kdnp b-Kdnp b-Kdn? ?-Kdnp ?-Kdn?			52 25 4 1 1	52 25 4 1 1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodoodooo [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodoodooo 2 variants possible; use an icon → a?do??ooo [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodoodooo 3 variants possible; use an icon → a?do??ooo
Kdo	oct*	ket	919	384	A?d1122h00211112	ketodeoxyoctonic acid (3-deoxy-D-manno-oct-2-ulosonic acid)
a-Kdop ?-Kdo? a-Kdo? ?-Kdop b-Kdop b-Kdo? ?-Kdof b-Kdof a-Kdof			3207 653 299 273 95 28 9 4 1	1957 639 256 207 88 15 9 4 1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aodoodoo 3 variants possible; use an icon → a?do??oo 2 variants possible; use an icon → a?do??oo [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O) aodoodoo [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@](O)1[C](=O)(O) aodoodoo 2 variants possible; use an icon → a?do??oo [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C](O)1[C](=O)(O) aododooo [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C@](O)1[C](=O)(O) aododooo [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aododooo
Kdo8N	oct*	ket	3	2	A?d1122h_8*N00211112	8-amino-3,8-dideoxy-D-manno-oct-2-ulosonic acid
a-Kdop8N a-Kdo?8N ?-Kdop8N ?-Kdo?8N			20 2 1 1	20 2 1 1	[CH2](N)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aodoodon 2 variants possible; use an icon → a?do??on [CH2](N)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O) aodoodon 3 variants possible; use an icon → a?do??on
Ko	oct*	ket	39	28	A?11122h00111112	ketooctonic acid (D-glycero-D-talo-oct-2-ulosonic acid)
a-Kop ?-Kop a-Ko? ?-Ko?			172 6 5 2	172 6 5 2	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@](O)1[C](=O)(O) aoooodoo [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C](O)1[C](=O)(O) aoooodoo 2 variants possible; use an icon → a?oo??oo 3 variants possible; use an icon → a?oo??oo
Leg	non*	ket	54	29	A?d21122m_5N_7N002111113	legionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonic)
a-Legp b-Legp b-Leg? ?-Legp ?-Leg? a-Leg?			69 13 5 5 4 2	68 13 5 5 4 2	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod [CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod [CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) a?don?nod [CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondnod 2 variants possible; use an icon → a?don?nod [CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) a?don?nod
Neu	non*	ket	478	124	A?d21122h_5*N002111112	neuraminic acid (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic)
a-Neup a-Neu? ?-Neup b-Neup ?-Neu? b-Neu?			1058 18 14 11 4 1	768 14 13 11 4 1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodondooo [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) a?don?ooo [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondooo [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodondooo 2 variants possible; use an icon → a?don?ooo [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) a?don?ooo
Pse	non*	ket	138	65	A?d22111m_5N_7N002111113	pseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-manno-non-2-ulosonic)
b-Psep a-Psep ?-Psep ?-Pse? a-Pse? b-Pse?			104 65 16 15 9 7	100 63 16 15 7 5	[CH3][C@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod [CH3][C@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod [CH3][C@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondnod 2 variants possible; use an icon → a?don?nod [CH3][C@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) a?don?nod [CH3][C@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) a?don?nod
Rul	pen	ket	0	0	h?22h20112	erythro-pent-2-ulose (ribulose)
no configuration variants are populated					oxooo (acyclic), ooood (furanose)
Sor	hex	ket	3	2	h?212h201112	sorbose (xylo-hex-2-ulose)
a-L-Sorf b-D-Sorp			3 1	3 1	[CH2](O)[C@H](O1)[C@@H](O)[C@H](O)[C@](O)1[CH2](O) oooodo [CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@](O)1[CH2](O) oooood
Tag-onic	hex	ket	2	1	A?112h001112	lyxo-hex-2-ulosonic acid
a-D-Tagp-onic b-D-Tagp-onic			4 2	3 2	[CH2](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@](O)1[C](=O)(O) aooood [CH2](O1)[C@@H](O)[C@H](O)[C@H](O)[C@](O)1[C](=O)(O) aooood
Xul	pen	ket	14	10	h?12h20112	threo-pent-2-ulose (xylulose)
b-D-Xulf a-D-Xulf b-L-Xulf ?-L-Xul? b-?-Xulf ?-D-Xulf a-L-Xul? ?-D-Xul?			16 5 3 2 2 2 1 1	11 5 2 2 1 1 1 1	[CH2](O1)[C@@H](O)[C@H](O)[C@](O)1[CH2]O ooood [CH2](O1)[C@@H](O)[C@H](O)[C@@](O)1[CH2]O ooood [CH2](O1)[C@H](O)[C@@H](O)[C@@](O)1[CH2]O ooood 2 variants possible; use an icon → o?oo? 2 variants possible; use an icon → ooood [CH2](O1)[C@@H](O)[C@H](O)[C](O)1[CH2]O ooood [CH2](O1)[C@H](O)[C@@H](O)[C@](O)1[CH2]O o?oo? 2 variants possible; use an icon → o?oo?

Residue	Size	Type	Abundance	Structures	WURCSProton count / Atom types	Description
2,7anhmanOct-onic	oct	opn	0	0	Axx1122h_2-701111112	2,7-anhydro-manno-octonic acid
no configuration variants are populated					axooooxo (acyclic)
DD3,9dthraltNon-onic	non*	opn	1	1	A1d22212m012111113	3,9-dideoxy-D-threo-D-altro-nononic acid
DD3,9dthraltNon-onic			3	3	[CH3][C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C](=O)(O) aodoooood
Ery-onic	tet	opn	7	5	A22h0112	erythronic acid
D-Ery-onic L-Ery-onic ?-Ery-onic			11 4 3	11 4 3	[CH2](O)[C@@H](O)[C@@H](O)[C](=O)O aooo [CH2](O)[C@H](O)[C@H](O)[C](=O)O aooo 2 variants possible; use an icon → aooo
GlcN-onic	hex	opn	6	2	A2122h_2*N011112	2-amino-2-deoxygluconic acid
?-GlcN-onic D-GlcN-onic			23 5	23 5	2 variants possible; use an icon → anoooo [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[C](=O)O anoooo
Gro-al	tri	opn	18	13	o2h112	glyceraldehyde
?-Gro-al L-Gro-al D-Gro-al			28 2 2	28 2 2	[CH2](O)[CH](O)[CH]=O Aoo [CH2](O)[C@H](O)[CH]=O Aoo [CH2](O)[C@@H](O)[CH]=O Aoo
LyxN2CMe-onic	hex	opn	0	0	A512h_2N_2C001123	2-amino-2-deoxy-2-C-methyllyxonic acid
no configuration variants are populated					anoood (acyclic)
Man-onic	hex	opn	19	10	A1122h011112	mannonic acid
D-Man-onic			16	16	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C](=O)O aooooo
Thre-onic	tet	opn	4	4	A12h0112	threonic acid
?-Thre-onic L-Thre-onic D-Thre-onic			5 4 2	5 4 2	2 variants possible; use an icon → aooo [CH2](O)[C@H](O)[C@@H](O)[C](=O)(O) aooo [CH2](O)[C@@H](O)[C@H](O)[C](=O)(O) aooo
XylN-onic	pen	opn	16	3	A212h_2*N01112	2-amino-2-deoxy-xylonic acid
L-XylN-onic			8	8	N[C@@H]([C@@H]([C@H]([CH2]O)O)O)[C](O)=O anooo

Residue	Size	Type	Abundance	Structures	WURCSProton count / Atom types	Description
1,3dgroTet-ol	tet	ol	0	0	m2dh3122	1,3-dideoxy-glycero-tetritol
no configuration variants are populated					dodo (acyclic)
1dEry-ol	tet	ol	29	11	m22h3112	1-deoxyerythritol
?-1dEry-ol L-1dEry-ol D-1dEry-ol			15 5 5	15 5 5	2 variants possible; use an icon → dooo [CH2](O)[C@H](O)[C@H](O)[CH3] dooo [CH2](O)[C@@H](O)[C@@H](O)[CH3] dooo
1dThre-ol	tet	ol	1	1	m12h3112	1-deoxythreitol
?-1dThre-ol			2	2	2 variants possible; use an icon → dooo
1dThre3N-ol	tet	ol	0	0	m12h_3*N3112	3-amino-1,3-dideoxythreitol
no configuration variants are populated					dono (acyclic)
2,5anhMan-ol	hex	ol	10	4	h1122h_2-5211112	2,5-anhydromannitol
D-2,5anhMan-ol ?-2,5anhMan-ol L-2,5anhMan-ol			24 3 1	24 3 1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H]1[CH2](O) oxooxo 2 variants possible; use an icon → oxooxo [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H]1[CH2](O) oxooxo
2,7anhKdo-ol	oct	ol	0	0	Axd1122h_2-701211112	2,7-anhydro-3-deoxy-D-glycero-D-galacto/talo-octonic acid
no configuration variants are populated					axdoooxo (acyclic)
3dgroTet-ol	tet	ol	0	0	h2dh2122	3-deoxy-glycero-tetritol
no configuration variants are populated					oodo (acyclic)
4dEry-ol	tet	ol	1	1	h22m2113	4-deoxyerythritol (alias for 1-deoxyerythritol ?)
L-4dEry-ol D-4dEry-ol			5 1	5 1	[CH3][C@H](O)[C@H](O)[CH2](O) dooo [CH3][C@@H](O)[C@@H](O)[CH2](O) dooo
All-ol	hex	ol	0	0	h2222h211112	allitol
no configuration variants are populated					oooooo (acyclic)
Alt-ol	hex	ol	0	0	h1222h211112	altritol
no configuration variants are populated					oooooo (acyclic)
Ara-ol	pen	ol	68	36	h122h21112	arabinitol
D-Ara-ol ?-Ara-ol L-Ara-ol			78 20 7	74 20 7	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[CH2](O) ooooo 2 variants possible; use an icon → ooooo [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[CH2](O) ooooo
DDidoHep-ol	hep*	ol	1	1	h12122h2111112	D-glycero-D-ido-heptitol
DDidoHep-ol			1	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[CH2](O) ooooooo
DDmanHep-ol	hep*	ol	6	1	h11222h2111112	D-glycero-D-manno-heptitol
DDmanHep-ol			1	1	[CH2](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O) ooooooo
Ery-ol	tet	ol	372	61	h22h2112	erythritol
D-Ery-ol ?-Ery-ol L-Ery-ol			126 36 28	126 36 28	[CH2](O)[C@@H](O)[C@@H](O)[CH2](O) oooo 2 variants possible; use an icon → oooo [CH2](O)[C@H](O)[C@H](O)[CH2](O) oooo
Etg	di*	ol	7	4	hh22	ethylene glycol
Etg			38	31	[CH2](O)[CH2](O) oo
Fuc1N-ol	hex	ol	1	1	h2112m_1*N211113	1-amino-1,6-dideoxy-D-galactitol
?-Fuc1N-ol			2	2	2 variants possible; use an icon → nooood
Gal-ol	hex	ol	10	5	h2112h211112	galactitol
D-Gal-ol ?-Gal-ol			90 13	90 13	[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH2](O) oooooo 2 variants possible; use an icon → oooooo
GalN-ol	hex	ol	3	3	h2112h_2*N211112	2-amino-2-deoxygalactitol
D-GalN-ol ?-GalN-ol			17 1	17 1	[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH2](O) onoooo 2 variants possible; use an icon → onoooo
Glc-ol	hex	ol	84	19	h2122h211112	glucitol
D-Glc-ol ?-Glc-ol			142 13	141 13	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[CH2](O) oooooo 2 variants possible; use an icon → oooooo
GlcN-ol	hex	ol	346	79	h2122h_2*N211112	2-amino-2-deoxyglucitol
D-GlcN-ol ?-GlcN-ol			206 2	206 2	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[CH2](O) onoooo 2 variants possible; use an icon → onoooo
Gro	tri	ol	1141	355	h2h212	glycerol
?-Gro D-Gro L-Gro S-Gro R-Gro			1182 390 172 31 13	958 341 134 20 12	[CH2](O)[CH](O)[CH2](O) ooo [CH2](O)[C@@H](O)[CH2](O) ooo [CH2](O)[C@H](O)[CH2](O) ooo [CH2](O)[C@@H](O)[CH2](O) ooo [CH2](O)[C@@H](O)[CH2](O) ooo
GroN	tri	ol	61	20	h2h_2*N212	2-amino-2-deoxyglycerol (2-aminopropane-1,3-diol). Always D.
?-GroN D-GroN L-GroN			49 5 1	44 5 1	[CH2](O)[CH](N)[CH2](O) ono [CH2](O)[C@@H](N)[CH2](O) ono [CH2](O)[C@H](N)[CH2](O) ono
Gul-ol	hex	ol	0	0	h2212h211112	gulitol
no configuration variants are populated					oooooo (acyclic)
LDmanHep-ol	hep*	ol	0	0	h11221h2111112	L-glycero-D-manno-heptitol
no configuration variants are populated					ooooooo (acyclic)
Lyx-ol	pen	ol	10	5	h112h21112	lyxitol
D-Lyx-ol			8	8	[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O) ooooo
Man-ol	hex	ol	99	59	h1122h211112	mannitol
D-Man-ol ?-Man-ol L-Man-ol			144 29 2	140 27 2	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O) oooooo 2 variants possible; use an icon → oooooo [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH2](O) oooooo
Qui-ol	hex	ol	0	0	h2122m211113	6-deoxy-glucitol (quinovitol) = 1-deoxy-gulitol
no configuration variants are populated					oooood (acyclic)
QuiN4N-ol	hex	ol	1	1	h2122m_2N_4N211113	2,4-diamino-2,4,6-trideoxyglucitol
D-QuiN4N-ol			2	2	[CH3][C@@H](O)[C@@H](N)[C@H](O)[C@@H](N)[CH2](O) ononod
Rha-ol	hex	ol	7	6	h1122m211113	6-deoxy-D-mannitol (D-rhamnitol?), 1-deoxy-D-mannitol (L-rhamnitol?)
L-Rha-ol ?-Rha-ol D-Rha-ol			33 8 3	33 8 3	[CH3][C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH2](O) oooood 2 variants possible; use an icon → oooood [CH3][C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O) oooood
Rib-ol	pen	ol	304	135	h222h21112	ribitol
D-Rib-ol ?-Rib-ol			299 147	252 126	[CH2](O)[C@@H](O)[C@@H](O)[C@@H](O)[CH2](O) ooooo 2 variants possible; use an icon → ooooo
Tal-ol	hex	ol	0	0	h1112h211112	talitol
no configuration variants are populated					oooooo (acyclic)
Thre-ol	tet	ol	18	11	h12h2112	threitol
D-Thre-ol ?-Thre-ol L-Thre-ol			23 12 5	23 12 5	[CH2](O)[C@@H](O)[C@H](O)[CH2](O) oooo 2 variants possible; use an icon → oooo [CH2](O)[C@H](O)[C@@H](O)[CH2](O) oooo
Xyl-ol	pen	ol	7	7	h212h21112	xylitol
D-Xyl-ol ?-Xyl-ol			8 1	8 1	[CH2](O)[C@@H](O)[C@H](O)[C@@H](O)[CH2](O) ooooo 2 variants possible; use an icon → ooooo

Residue	Size	Type	Abundance	Structures	WURCSProton count / Atom types	Description
DDHEP	hep*	sug	0	0	QQQQ22Q	superclass: DD-heptose
no configuration variants are populated
DEC	dec*	sug	0	0	QQQQQQQQQQ	superclass: decose
no configuration variants are populated
HEP	hep*	sug	8	1	QQQQQQQ	superclass: heptose
HEP			35	25	<ANY>
Hep	hep	sug	47	12		alias: heptose
a-?-Hepp ?-?-Hepp b-?-Hepp a-?-Hep ?-D-Hepp a-D-Hepp			59 40 20 4 3 2	30 22 11 1 1 2	??????? ??????? ??????? ??????? ??????? ???????
HEX	hex*	sug	52	6	QQQQQQ	superclass: hexose
HEX			24	10	<ANY>
Hex	hex	sug	6	3		alias: hexose
?-?-Hexp a-D-Hexp ?-D-Hex a-?-Hexp ?-?-Hex			16 3 3 2 2	8 2 1 2 2	?????? ?????? ?????? ?????? ??????
LDHEP	hep*	sug	0	0	QQQQ21Q	superclass: LD-heptose
no configuration variants are populated
Non	non	sug	0	0		alias: nonose
no configuration variants are populated					????????? (acyclic), ????????? (pyranose), ????????? (furanose)
NON	non*	sug	0	0	QQQQQQQQQ	superclass: nonose
no configuration variants are populated
Oct	oct	sug	0	0		alias: octose
no configuration variants are populated					???????? (acyclic), ???????? (pyranose), ???????? (furanose)
OCT	oct*	sug	0	0	QQQQQQQQ	superclass: octose
no configuration variants are populated
Pen	pen	sug	0	0		alias: pentose
no configuration variants are populated					????? (acyclic), ????? (pyranose), ????? (furanose)
PEN	pen*	sug	0	0	QQQQQ	superclass: pentose
no configuration variants are populated
Sug		sug	219	109		alias: any monosaccharide
5-methylthio-xylose Glc 1O,1C-derivative with 3,5-dihydroxybenzyl alcohol 1O,2C 6-deoxy-3-hydroxy-arabino-hexose anhKdo xylo-hexos-4-ulose derivative 5-methylthioribose 2,3,4-triamino-2,3,4-trideoxy-L-arabinose 2,3,6-trideoxy-3-amino-D-ribopyranose ??anhKdo? tricyclic uronic acid β-D-1-amino-1-deoxyribofuranose D-gluconic acid methylthiolincosamide anhMan-ol1d bD4dthrHexp4enodialdose (2-amino-2-carboxyethyl)thiolincosamide 2,3,4-triamino-2,3,4,6-tetradeoxy-D-galactopyranose 2-hydroxyethylthiolincosamide 4,9-cyclo-6-deoxy-8-C-methyl-D-xylo-D-galacto-nonose (bradyrhizose) 6-deoxy-5C-methyl-lyxo-hexose 1-amino-1,6-dideoxymannose, 1-aminorhamnose 1-deoxy-amicetose 1-thio-6-amino-1,6,8-trideoxy-d-erythro-a-D-galactooctopyranose 12-deoxy-4-C-(D-altro-5,7,8,9-tetrahydroxyhexyl)-a-D-galactopyranose 2,3-diamino-2,3,4-trideoxy-L-erythro-hex-4,5-enuronic acid 3,6-dideoxy-ribo-heptose 5-amino-3,5-dideoxy-a-lyxo-nonulopyranosonic (rhodaminic) acid 5-amino-3,5-dideoxy-L-glycero-L-manno-non-2-ulosonic acid D-erythronic acid 1,4-lactone D-xylonic nitrile < untitled 0 > xDManaN1N (5S)-2-amino-2,4-dideoxy-a-L-erythro-hexos-5-ulo-1,5-pyranose 1,2'-anhydro-3,6-dideoxy-4-C-[(S)-1',2'-dihydroxyethyl]-D-xylo-hexofuranose 1-deoxy-tetritol 2,4-diacetamido-2,4,6-trideoxyhexose (DATDH) 2,7-anhydro-3-deoxy-D-manno-heptulosonic acid 2-amino-2,6-deoxy-xylo-5,6-en-hexose 2-amino-2,6-dideoxy-arabino-hex-4-ulose (hydrated) 2-amino-2,6-dideoxy-hexos-4-ulose 2-amino-2,6-dideoxy-xylo-hex-4-ulose (hydrated) 3,6-dideoxy-4-C-[(S)-1',2'-dihydroxyethyl]-D-xylo-hexose 3-deoxy-D-manno-heptulosonic acid 3C-methyl-3,4-diamino-2,3,4,6-tetradeoxy-xylo-hexose 3C-methyl-3-nitro-4-amino-2,3,4,6-tetradeoxy-xylo-hexose 5,7,8-triamino-3,5,7,8,9-pentadeoxy-?-glycero-L-manno-non-2-ulosonic acid 6-deoxy-5-C-methyl-β-D-lyxo-hexose 6-deoxy-Hepp 6-deoxy-Hex cinerulose A cinerulose B Glc or Gal (unclear) Glc, Man or Gal glucitol diacetal L-aculose < untitled 1 > < untitled 2 > α-D-2,6-diamino-2,3,6-trideoxy-ribo-hexose α-L-2,6-dideoxy-4C-acetyl-lyxo-hexose β-D-1-amino-1-deoxyribopyranose β-D-5-methylgalacturonic acid				25 17 14 10 10 7 6 6 6 6 6 5 5 4 4 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1	SMILES O{1}[C@@H]1[C@@H]([C@H]([C@@H](CSC)O1)O)O SMILES OC[C@H]3O[C@]2(OCc1cc(O)cc(O)c12)[C@H](O){3}[C@@H](O){4}[C@@H]3O SMILES C[C@H]1O{1}[C@@H](O)[C@@H](O){3}C(O)(O){4}[C@@H]1O SMILES CC2([C@H]1CO1)O[C@@]34OC2O[C@@H]3[C@@H](O){1}[C@@H](O)O[C@@H]4{6}CO SMILES CC1(O[C@@]23OC1O[C@@H]2[C@H]({1}[C@H](O[C@@H]3{6}CO)O)O)CCCl SMILES CC1(O[C@@]23OC1O[C@@H]2[C@H]({1}[C@H](O[C@@H]3{6}CO)O)O)CCO SMILES CSC[C@H]1O{1}[C@@H](O)[C@H](O)[C@@H]1O SMILES O{1}[C@@H]1{2}[C@H](N){3}[C@@H](N){4}[C@@H](N)CO1 SMILES C[C@H]([C@H]({3}[C@H]1N)O)O{1}C(C1)O SMILES O{6}[C@]1([C@@H]([C@H]2O[C@H]3O1)C)O[C@@H]3{2}[C@H]2O SMILES OC[C@H]1O{1}[C@@H](O)[C@H](O)[C@@H]1O SMILES O=C(O)[C@H](O)[C@@H](O){4}[C@H](O)[C@H](O)CO SMILES CS[C@H]1O[C@H]({6}[C@H](N)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O SMILES O{1}[C@@H]1OC(C=O)=C{3}[C@@H](O){2}[C@@H]1O SMILES C[C@@H](O){6}[C@@H](N)[C@H]1O[C@H](SC{10}[C@H](N){11}C(=O)O)[C@H](O)[C@@H](O)[C@H]1O SMILES C[C@@H](O){6}[C@@H](N)[C@H]1O[C@H](SC{10}[C@H](N)C(=O)O)[C@H](O)[C@@H](O)[C@H]1O SMILES O{1}C1{2}[C@H](N){3}[C@@H](N){4}[C@@H](N)[C@@H](C)O1 SMILES C{7}[C@@H](O){6}[C@@H](N)[C@H]1O[C@H](SC{10}CO)[C@H](O)[C@@H](O)[C@H]1O SMILES O{1}[C@@H]1[C@@H]([C@H]([C@]2([C@@H](C{7}[C@H]([C@]([C@H]2O)(C)O)O)O1)O)O)O SMILES C[C@@]1(C)O{1}[C@@H](O)[C@@H](O)[C@@H](O){4}[C@@H]1O SMILES C[C@@H]1O{1}C(O)[C@H](O)[C@H](O)[C@H]1O SMILES C[C@@H](O1)[C@@H](O)CC{1}C1 SMILES C[C@@H](O1){4}[C@@H](O)CC{1}C1 SMILES C[C@H]({6}[C@H]([C@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O){1}S)N)O SMILES O{1}[C@@H]1[C@@H]({3}[C@H]([C@@]([C@@H](C)O1)({5}[C@H](O)C[C@H](O)[C@H](O)[C@@H](C)O)O)O)O SMILES N{3}[C@H]1C=C(C(O)=O)O{1}[C@@H](O){2}[C@H]1N SMILES O{1}[C@H]1{2}[C@H](C{4}[C@H](C(C{7}CO)O1)O)O SMILES O{7}CC[C@H]({4}[C@H](C1)O)O{1}C(O){2}[C@@H]1O SMILES O{8}C({7}C([C@@H]1O{2}[C@](C(O)=O)(C{4}[C@@H]({5}[C@@H]1N)O)O)O){9}CO SMILES O{8}[C@H]({7}[C@@H]([C@@H]1O{2}[C@@](C(O)=O)(C{4}[C@@H]({5}[C@@H]1N)O)O)O){9}CO SMILES O=C1[C@H](O){3}[C@H](O)CO1 SMILES N#C{2}[C@H](O){3}[C@@H](O){4}[C@H](O){5}CO SMILES O[C@@H]1{1}[C@@H]O[C@@H](C)[C@@H]1O SMILES O{1}[C@H]1{2}[C@H]([C@H](C{5}[C@](CO)(O)O1)O)N SMILES O[C@H]1[C@H]2O[C@@](C1)([C@@H](O)CO2)[C@@H](C)O SMILES C{2}C(O)C(O)CO SMILES O=C([C@@]12OC[C@@H](O)[C@H](O2){4}[C@H](O)C1)O SMILES O{1}[C@@H]1{2}[C@@H]([C@H]([C@@H](C(O1)=C)O)O)N SMILES O{1}[C@@H]1{2}[C@@H]([C@H](C([C@H](C)O1)(O)O)O)N SMILES O{1}C1{2}C(N){3}C(C(C(C)O1)=O)O SMILES O{1}[C@@H]1{2}[C@@H]([C@H](C([C@@H](C)O1)(O)O)O)N SMILES O{1}[C@@H](O[C@H](C)[C@](C1)([C@@H](O)CO)O)[C@@H]1O SMILES O=C([C@]1(C[C@H]({4}[C@H]([C@H](O1)CO)O)O)O)O SMILES C[C@H]1O{1}[C@@H](O)C[C@](C)(N){4}[C@H]1N SMILES C[C@H]1O{1}[C@@H](O)C[C@](C)(N(=O)=O){4}[C@H]1N SMILES CC({7}[C@@H]([C@@H]1O{2}[C@@](C(O)=O)(C{4}[C@@H]({5}[C@@H]1N)O)O)N)N SMILES CC1(C)O{1}[C@@H](O)[C@@H](O)[C@@H](O){4}[C@@H]1O SMILES C[C@H]1C(=O)CC{1}[CH](O1)O SMILES O{1}C(O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O SMILES C[C@@H]1O{1}[C@@H](O)CCC1=O SMILES C[S+](CCC[NH3+])C[C@H]1O{1}[C@@H](O)[C@H](O)[C@@H]1O SMILES O=C1{4}[C@H](O){5}[C@@H]({6}CO)O{1}[C@H](O){2}[C@@H]1O SMILES NC[C@H]1O{1}[C@H](O)[C@H](N)C[C@@H]1O SMILES CC(=O)[C@@]1(O)[C@H](C)O{1}[C@@H](O)C{3}[C@@H]1O SMILES C[C@@H]1CO{1}[C@@H](N)[C@H](C)[C@@H]1C SMILES O={6}C(O)[C@](C)1O{1}[C@@H](O){2}[C@H](O){3}[C@@H](O){4}[C@H]1O
SUG	*	sug	77	37		superclass: any monosaccharide
SUG			154	94	<ANY>
Tet	tet	sug	0	0		alias: tetrose
no configuration variants are populated					???? (acyclic), ???? (furanose)

Residue	Size	Type	Abundance	Structures	WURCSProton count / Atom types	Description
ALK	mva*	alk	26	15	@ALKYL	superclass: alcohol residue (alkyl)
ALK			83	75	<ANY>
Bu	mva*	alk	11	8	*OCCCC2223	butanol
Bu			24	24	[CH3][CH2][CH2][CH2]O oddd
Dec	mva*	alk	7	4	*OCCCCCCCCCC2222222223	decanol
Dec			14	14	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O oddddddddd
Et	mva*	alk	31	17	*OCC23	ethanol
Et			53	53	[CH3][CH2]O od
Hp	mva*	alk	0	0	*OCCCCCCC2222223	heptanol
no configuration variants are populated					odddddd (acyclic)
Hx	mva*	alk	6	3	*OCCCCCC222223	hexanol
Hx			11	11	[CH3][CH2][CH2][CH2][CH2][CH2]O oddddd
iPr	mva*	alk	1	1	*OCC/3C133	isopropanol
iPr			3	3	[CH]([CH3])([CH3])O odd
Me	mva*	alk	1320	590	*OC3	methanol
Me			6408	3646	[CH3]O o
Oc	mva*	alk	20	8	*OCCCCCCCC22222223	octanol
Oc			29	29	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O oddddddd
Pr	mva*	alk	11	7	*OCCC223	propanol
Pr			62	62	[CH3][CH2][CH2]O odd
Und	mva*	alk	12	8	*OCCCCCCCCCCC22222222223	undecanol
Und			27	27	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O odddddddddd

Residue	Size	Type	Abundance	Structures	WURCSProton count / Atom types	Description
10b1C19	mva	lip	3	3	*OCCCCCCCCCC^XCCCCCCCC/12C/3=O0222222221222222233	tuberculostearic acid (10-methyl-octadecanoic acid)
?-10b1C19 R-10b1C19 S-10b1C19			12 1 1	11 1 1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddd
11HOLau	nsu	lip	14	7	1OCCCCCCCCCCC^XC/5O3/3=O022222222213	11-hydroxy-dodecanoic acid
?-11HOLau			8	8	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddod
13HOBeh	nsu	lip	8	5	1OCCCCCCCCCCCCC^XCCCCCCCCC/15O3/3=O0222222222221222222223	13-hydroxy-docosanoic acid
?-13HOBeh S-13HOBeh			8 4	8 4	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddoddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddoddddddddd
15,16HOPam	nsu	lip	8	5	1OCCCCCCCCCCCCCCC^XCO16/17O*15/3=O0222222222222212	15,16-dihydroxy-hexadecanoic acid
?-15,16HOPam			19	19	[CH2](O)[CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddoo
15HOPam	nsu	lip	5	3	1OCCCCCCCCCCCCCCCC/17O15/3=O0222222222222213	15-hydroxy-hexadecanoic acid
?-15HOPam			13	13	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddod
17HOBeh	nsu	lip	8	8	1OCCCCCCCCCCCCCCCCC^XCCCCC/15O3/3=O0222222222222222122223	17-hydroxy-docosanoic acid
?-17HOBeh			10	10	[CH3][CH2][CH2][CH2][CH2][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddoddddd
17HOC18={?,?}	nsu	lip	4	2	@C18{=,=}0???????????????13	17-hydroxy-octadecadienoic acid
?-17HOC18={?,?}			4	4	a???????????????od
17HOC18={?}	nsu	lip	0	0	@C18{=}0???????????????13	17-hydroxy-octadecenoic acid
no configuration variants are populated					a???????????????od (acyclic)
17HOLin	mva	lip	43	7	OCCCCCCCCC=^ZCCC=^ZCCCCCC/19O17/3=O/022222221121122213	17-hydroxy-linoleic acid (17-hydroxy-9Z,12Z-octadecadienoic acid)
?-17HOLin R-17HOLin			12 2	12 2	[CH3][CH](O)[CH2][CH2][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdDDdddod [CH3][C@@H](O)[CH2][CH2][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdDDdddod
17HOOle	nsu	lip	312	79	1OCCCCCCCCC=^ZCCCCCCCC^XC/19O17/3=O022222221122222213	17-hydroxy-cis-9-octadecenoic acid
?-17HOOle R-17HOOle S-17HOOle			95 24 6	95 24 6	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDddddddod [CH3][C@@H](O)[CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDddddddod [CH3][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDddddddod
17HOSte	nsu	lip	28	10	1OCCCCCCCCCCCCCCCC^XCC/19O17/3=O022222222222222213	17-hydroxy-stearic acid
?-17HOSte S-17HOSte R-17HOSte			21 4 3	20 3 3	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddod [CH3][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddod [CH3][C@@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddod
18HOOle	nsu*	lip	6	3	1OCCCCCCCCC=^ZCCCCCCCCC/20O18/3=O022222221122222222	18-hydroxy-cis-9-octadecenoic acid
18HOOle			29	20	[CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddddo
18HOSte	nsu*	lip	2	1	1OCCCCCCCCCCCCCCCCCC/20O18/3=O022222222222222222	18-hydroxy-stearic acid
18HOSte			3	3	[CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddo
2,15,16HOPam	nsu	lip	14	7	1OCC^XCCCCCCCCCCCCC^XCO16/17O15/4O2/3=O0122222222222212	2,15,16-trihydroxy-hexadecanoic acid
?-2,15,16HOPam			37	37	[CH2](O)[CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aoddddddddddddoo
2,4HOBut	nsu	lip	13	5	1OCC^XCCO4/4O*2/3=O0122	2,4-dihydroxybutanoic acid (3d-glycero-tetronic acid)
S-2,4HOBut R-2,4HOBut			162 17	71 7	[CH2](O)[CH2][C@H](O)[C](=O)O aodo [CH2](O)[CH2][C@@H](O)[C](=O)O aodo
27HOMon	nsu	lip	23	9	1OCCCCCCCCCCCCCCCCCCCCCCCCCCC^XC/29O27/3=O0222222222222222222222222213	27-hydroxy-octacosanoic acid
?-27HOMon			84	77	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddddddddddod
27oxoMon	nsu*	lip	2	2	*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/29=O/3=O0222222222222222222222222203	27-oxo-octacosanoic acid
27oxoMon			7	7	[CH3][C](=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddddddddddxd
2HOAch	nsu	lip	2	2	1OCC^XCCCCCCCCCCCCCCCCCC/4O3/3=O01222222222222222223	2-hydroxy-icosanoic acid
?-2HOAch			8	8	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddddddddddd
2HOC13	nsu	lip	3	1	1OCC^XCCCCCCCCCCC/4O3/3=O0122222222223	2-hydroxy-tridecanoic acid
R-2HOC13			4	4	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aoddddddddddd
2HOC15	nsu	lip	7	4	1OCC^XCCCCCCCCCCCCC/4O3/3=O012222222222223	2-hydroxy-pentadecanoic acid
R-2HOC15			7	7	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aoddddddddddddd
2HOC16={t3}	nsu	lip	35	13	1OC^XCC=^ECCCCCCCCCCCCC/4O2/3=O0111222222222223	2-hydroxy-trans-3-hexadecenoic acid
R-2HOC16={t3} ?-2HOC16={t3}			14 7	14 7	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C@@H](O)[C](=O)O aoDDdddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH](O)[C](=O)O aoDDdddddddddddd
2HOC18={t3}	nsu	lip	58	18	1OCC^XC=^ECCCCCCCCCCCCCCC/4O2/3=O011122222222222223	2-hydroxy-trans-3-octadecenoic acid
R-2HOC18={t3} ?-2HOC18={t3}			37 18	37 18	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C@@H](O)[C](=O)O aoDDdddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH](O)[C](=O)O aoDDdddddddddddddd
2HOLau	nsu	lip	56	31	1OCC^XCCCCCCCCCC/4O2/3=O012222222223	2-hydroxy-dodecanoic acid
?-2HOLau S-2HOLau R-2HOLau			60 17 2	53 11 1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O aodddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aodddddddddd
2HOLig	nsu	lip	56	16	1OCC^XCCCCCCCCCCCCCCCCCCCCCC/4O2/3=O012222222222222222222223	2-hydroxy-tetracosanoic acid
?-2HOLig R-2HOLig			117 6	117 6	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aodddddddddddddddddddddd
2HOMar	nsu	lip	3	3	1OCC^XCCCCCCCCCCCCCCC/4O3/3=O01222222222222223	2-hydroxy-margaric acid
R-2HOMar ?-2HOMar			6 1	6 1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aoddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aoddddddddddddddd
2HOMyr	nsu	lip	56	17	1OCC^XCCCCCCCCCCCC/4O2/3=O01222222222223	2-hydroxy-tetradecanoic acid
?-2HOMyr S-2HOMyr R-2HOMyr			36 12 4	36 12 4	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O aodddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aodddddddddddd
2HOPam	nsu	lip	139	35	1OCC^XCCCCCCCCCCCCCC/4O2/3=O0122222222222223	2-hydroxy-hexadecanoic acid
?-2HOPam R-2HOPam S-2HOPam			50 43 2	50 43 2	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aodddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O aodddddddddddddd
2HOSte	nsu	lip	102	32	1OCC^XCCCCCCCCCCCCCCCC/4O2/3=O012222222222222223	2-hydroxy-stearic acid
?-2HOSte R-2HOSte S-2HOSte			49 47 1	49 47 1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aodddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O aodddddddddddddddd
3,4HOiC15	nsu	lip	1	1	1OCCC^XC^XCCCCCCCCCC/15C/6O4/5O*3/3=O021122222222133	3,4-dihydroxy-iso-pentadecanoic acid
?-3,4HOiC15			2	2	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH](O)[CH2][C](=O)O adooddddddddddd
3,5HOHex	nsu*	lip	6	5	1OCCC^XCC^XC/7O5/5O*3/3=O021213	3,5-dihydroxyhexanoic acid
3,5HOHex			9	9	[CH3][CH](O)[CH2][CH](O)[CH2][C](=O)O adodod
3HOAch	nsu	lip	18	5	1OCCC^XCCCCCCCCCCCCCCCCC/5O3/3=O02122222222222222223	3-hydroxy-icosanoic acid
?-3HOAch R-3HOAch			41 6	22 3	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddddddddddd
3HOaiVl	nsu	lip	3	1	OCC^XCC/3=O/4C/5O301133	3S-hydroxy-anteisovaleric acid (2-methyl-butyric acid)
R-3HOaiVl			1	1	[CH3][C@H](O)[C@@H]([CH3])[C](=O)O adodd
3HOBeh	nsu	lip	2	1	1OCCC^XCCCCCCCCCCCCCCCCCCC/5O3/3=O0212222222222222222223	3-hydroxy-docosanoic acid
?-3HOBeh			4	2	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddddddddddd
3HOBut	nsu	lip	291	143	1OCCC^XC/5O3/3=O0213	3-hydroxybutanoic acid
?-3HOBut R-3HOBut S-3HOBut			198 170 137	150 166 127	[CH3][CH](O)[CH2][C](=O)O adod [CH3][C@@H](O)[CH2][C](=O)O adod [CH3][C@H](O)[CH2][C](=O)O adod
3HOC13	nsu	lip	6	3	1OCCC^XCCCCCCCCCC/5O3/3=O0212222222223	3-hydroxy-tridecanoic acid
R-3HOC13 ?-3HOC13			22 8	6 4	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adodddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddd
3HOC14={c4}	nsu	lip	5	4	1OCCC^XC=^XCCCCCCCCCC/5O3/3=O02122222222223	3-hydroxy-tetradec-4Z-enoic acid
R-3HOC14={c4} ?-3HOC14={c4}			9 1	9 1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][C@@H](O)[CH2][C](=O)O adoDDddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH](O)[CH2][C](=O)O adoDDddddddddd
3HOC15	nsu	lip	2	2	1OCCC^XCCCCCCCCCCCC/5O3/3=O021222222222223	3-hydroxy-pentadecanoic acid
R-3HOC15 ?-3HOC15			7 3	7 3	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adodddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddddd
3HODco	nsu	lip	207	77	1OCCC^XCCCCCCC/5O3/3=O0212222223	3-hydroxy-decanoic acid
?-3HODco R-3HODco			222 107	129 48	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddd
3HOHxo	nsu	lip	11	7	1OCCC^XCCC/5O3/3=O021223	3-hydroxy-hexanoic acid
?-3HOHxo			24	24	[CH3][CH2][CH2][CH](O)[CH2][C](=O)O adoddd
3HOiC13	nsu	lip	6	4	1OCCC^XCCCCCCCCC/13C/5O3/3=O0212222222133	3-hydroxy-iso-tridecanoic acid
?-3HOiC13			26	14	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddd
3HOiC15	nsu	lip	11	8	1OCCC^XCCCCCCCCCCC/15C/5O3/3=O021222222222133	3-hydroxy-iso-pentadecanoic acid
R-3HOiC15 ?-3HOiC15			12 11	11 10	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adodddddddddddd [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddddd
3HOiMar	nsu	lip	47	19	1OCCC^XCCCCCCCCCCCCCC/17C/5O3/3=O02122222222222133	3-hydroxy-iso-heptadecanoic acid
?-3HOiMar R-3HOiMar			40 34	22 19	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddddddd [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adodddddddddddddd
3HOiMyr	nsu	lip	2	1	1OCCC^XCCCCCCCCCC/14C/5O3/3=O02122222222133	3-hydroxy-iso-tetradecanoic acid
?-3HOiMyr R-3HOiMyr			8 2	4 1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddd [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddddd
3HOiVl	nsu*	lip	1	1	1OCCCC/5C/5O3/3=O02033	3-hydroxy-isovaleric acid
3HOiVl			23	23	[CH3][C]([CH3])(O)[CH2][C](=O)O adodd
3HOLau	nsu	lip	326	103	1OCCC^XCCCCCCCCC/5O3/3=O021222222223	3-hydroxy-dodecanoic acid
?-3HOLau R-3HOLau			320 231	148 95	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddd
3HOMar	nsu	lip	15	5	1OCCC^XCCCCCCCCCCCCCC/5O3/3=O02122222222222223	3-hydroxy-heptadecanoic acid
?-3HOMar			10	8	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddddddd
3HOMyr	nsu	lip	1177	218	1OCCC^XCCCCCCCCCCC/5O3/3=O02122222222223	3-hydroxy-tetradecanoic acid
?-3HOMyr R-3HOMyr			1475 796	503 274	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddddd
3HOOco	nsu	lip	11	7	1OCCC^XCCCCC/5O3/3=O02122223	3-hydroxy-octanoic acid
?-3HOOco			23	23	[CH3][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddd
3HOPam	nsu	lip	294	64	1OCCC^XCCCCCCCCCCCCC/5O3/3=O0212222222222223	3-hydroxy-hexadecanoic acid
?-3HOPam R-3HOPam			197 104	125 64	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddddddd
3HOPro	nsu*	lip	1	1	1OCCCO3/3=O022	beta-lactic acid (3-hydroxypropanoic acid)
3HOPro			12	10	[CH2](O)[CH2][C](=O)O ado
3HOSte	nsu	lip	103	23	1OCCC^XCCCCCCCCCCCCCCC/5O3/3=O021222222222222223	3-hydroxy-stearic acid
?-3HOSte R-3HOSte			179 52	92 23	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddddddddd
3oxoMyr	mva*	lip	12	8	*OCCCCCCCCCCCCCC/5=O/3=O02022222222223	3-oxo-tetradecanoic acid
3oxoMyr			29	22	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)[CH2][C](=O)O addddddddddddd
4HOaiHxo	nsu	lip	0	0	1OCCC^XC^XC/6O4/5C/3=O021133	4-hydroxy-3-methyl-pentanoic acid
no configuration variants are populated					adoddd (acyclic)
4HOBut	nsu*	lip	3	3	1OCCCCO4/3=O0222	4-hydroxybutanoic acid
4HOBut			37	37	[CH2](O)[CH2][CH2][C](=O)O addo
Ach	mva*	lip	2	2	*OCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222223	arachidic acid (icosanoic acid)
Ach			17	16	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddddd
aiVl	mva	lip	12	4	*OCC^XCC/3=O/4C01233	anteisovaleric acid (2-methyl-butyric acid)
S-aiVl ?-aiVl			48 30	38 30	[CH3][CH2][C@H]([CH3])[C](=O)O adddd [CH3][CH2][CH]([CH3])[C](=O)O adddd
aLnn	mva*	lip	1	1	*OCCCCCCCCC=^XCCC=^XCCC=^XCCC/3=O/022222221121121123	(9,12,15)-linolenic acid (9,12,15-octadecatrienoic acid)
aLnn			20	13	[CH3][CH2][CH]=[CH][CH2][CH]=[CH][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdDDdDDdd
Beh	mva*	lip	3	2	*OCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222223	behenic acid (docosanoic)
Beh			16	15	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddddddd
But	mva*	lip	55	20	*OCCCC/3=O0223	butyric acid
But			38	38	[CH3][CH2][CH2][C](=O)O addd
C12={5}	mva*	lip	2	2	*OCCCCC=^XCCCCCCC/3=O022211222223	dodec-5-enoic acid
C12={5}			9	9	[CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O adddDDdddddd
C12={6}	mva*	lip	1	1	*OCCCCCC=^XCCCCCC/3=O022221122223	dodec-6-enoic acid
C12={6}			1	1	[CH3][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDddddd
C13={6}	mva*	lip	1	1	*OCCCCCC=^XCCCCCCC/3=O0222211222223	tridec-6-enoic acid
C13={6}			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDdddddd
C13	mva*	lip	2	2	*OCCCCCCCCCCCCC/3=O0222222222223	tridecanoic acid
C13			4	4	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddd
C14={5}	mva*	lip	1	1	*OCCCCC=^XCCCCCCCCC/3=O02221122222223	tetradec-5-enoic acid
C14={5}			3	3	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O adddDDdddddddd
C14={6}	mva*	lip	3	2	*OCCCCCC=^XCCCCCCCC/3=O02222112222223	tetradec-6-enoic acid
C14={6}			2	2	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDddddddd
C14={7}	mva*	lip	6	4	*OCCCCCCC=^XCCCCCCC/3=O02222211222223	tetradec-7-enoic acid
C14={7}			8	8	[CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddDDdddddd
C14={8}	mva*	lip	1	1	*OCCCCCCCC=^XCCCCCC/3=O02222221122223	tetradec-8-enoic acid
C14={8}			2	2	[CH3][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddDDddddd
C15={6}	mva*	lip	1	1	*OCCCCCC=^XCCCCCCCCC/3=O022221122222223	pentadec-6-enoic acid
C15={6}			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDdddddddd
C15	mva*	lip	8	4	*OCCCCCCCCCCCCCCC/3=O022222222222223	pentadecanoic acid
C15			31	24	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddd
C16={11}	mva*	lip	4	2	*OCCCCCCCCCCC=^XCCCCC/3=O0222222222112223	hexadec-11-enoic acid
C16={11}			6	6	[CH3][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddDDdddd
C16={6}	mva*	lip	6	4	*OCCCCCC=^XCCCCCCCCCC/3=O0222211222222223	hexadec-6-enoic acid
C16={6}			4	4	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDddddddddd
C16={?,?}	mva*	lip	2	2	@C16{=,=}0??????????????3	hexadecadienoic acid
C16={?,?}			17	15	a???????????????
C17={6}	mva*	lip	1	1	*OCCCCCC=^XCCCCCCCCCCC/3=O02222112222222223	heptadec-6-enoic acid
C17={6}			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDdddddddddd
C18={6}	mva*	lip	1	1	*OCCCCCC=^XCCCCCCCCCCCC/3=O022221122222222223	octadec-6-enoic acid
C18={6}			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDddddddddddd
C18={?}	mva*	lip	30	13	@C18{=}0????????????????3	octadecenoic acid
C18={?}			37	36	a?????????????????
C18={t9}	mva*	lip	32	2	*OCCCCCCCCC=^ECCCCCCCCC/3=O/022222221122222223	trans-9-octadecenoic acid
C18={t9}			20	18	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddddd
C18c{9,11}	mva*	lip	0	0	*OCCCCCCCCCCCCCCCCC/12C$11/3=O022222221212222223	cyclo-9,11-octadecanoic acid
no configuration variants are populated					addddddddddddddddd (acyclic)
cdPam	mva*	lip	3	3	*OCCCCCCCCC=^ZCCCCCCC/3=O0222222211222223	cis-palmitoleic (hexadecenoic) acid
cdPam			16	15	[CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddd
CER	nsu*	lip	19	11	@CERAMIDE	superclass: ceramide (N-acylated sphyngoid)
CER			267	267	<ANY>
Ceroplastic	mva*	lip	0	0	*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222222222222223	ceroplastic acid (pentatriacontanoic acid)
no configuration variants are populated					adddddddddddddddddddddddddddddddddd (acyclic)
Crt	mva*	lip	15	8	*OCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222223	cerotic acid (hexacosanoic acid)
Crt			77	74	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddddddddddd
cVac	mva*	lip	1	1	*OCCCCCCCCCCC=^ZCCCCCCC/3=O022222222211222223	cis-vaccenic (cis-11-octadecenoic) acid
cVac			23	23	[CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddDDdddddd
d2Ach	mva*	lip	0	0	*OCCCCCCCC=^XCCC=^XCCCCCCCCC/3=O02222221121122222223	8,11-icosadienoic acid
no configuration variants are populated					addddddDDdDDdddddddd (acyclic)
d3Ach	mva*	lip	0	0	*OCCCCC=^XCCC=^XCCC=^XCCCCCCCCC/3=O02221121121122222223	5,8,11-icosatrienoic acid
no configuration variants are populated					adddDDdDDdDDdddddddd (acyclic)
d4Ach	mva*	lip	0	0	*OCCCCC=^XCCC=^XCCC=^XCCC=^XCCCCCC/3=O02221121121121122223	arachidonic acid (5,8,11,14-icosatetraenoic acid)
no configuration variants are populated					adddDDdDDdDDdDDddddd (acyclic)
Dco	mva*	lip	38	20	*OCCCCCCCCCC/3=O0222222223	capric acid (decanoic acid)
Dco			88	67	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddd
dPam	mva*	lip	10	6	*OCCCCCCCCC=^XCCCCCCC/3=O0222222211222123	palmitoleic acid (hexadecenoic acid)
dPam			24	24	[CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddd
eSte	mva*	lip	0	0	*OCCCCCCCCC=^XCC=^XCC=^XCCCCC/3=O/022222221111112223	eleostearic acid (9,11,13-octadecatrienoic acid)
no configuration variants are populated					adddddddDDDDDDdddd (acyclic)
Gc	nsu*	lip	11	5	1OCCO2/3=O02	glycolic acid (2-hydroxyacetic acid)
Gc			109	85	[CH2](O)[C](=O)O ao
Geddic	mva*	lip	0	0	*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222222222222222223	geddic acid (tetratriacontanoic acid)
no configuration variants are populated					addddddddddddddddddddddddddddddddd (acyclic)
GroA	nsu	lip	37	25	A2h012	glyceric acid (2,3-dihydroxypropanoic acid). WURCS is for 1-O(C=O)-linked Lac
D-GroA ?-GroA L-GroA			35 33 23	32 33 22	[CH2](O)[C@@H](O)[C](=O)O aoo [CH2](O)[CH](O)[C](=O)O aoo [CH2](O)[C@H](O)[C](=O)O aoo
Hxo	mva*	lip	33	14	*OCCCCCC/3=O022223	hexanoic acid
Hxo			65	43	[CH3][CH2][CH2][CH2][CH2][C](=O)O addddd
iBut	mva*	lip	15	6	*OCCC/4C/3=O0133	isobutyric acid
iBut			59	38	[CH3][CH]([CH3])[C](=O)O addd
iC13	mva*	lip	2	2	*OCCCCCCCCCCCC/13C/3=O0222222222133	iso-tridecanoic acid
iC13			4	3	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddd
iC15	mva*	lip	21	10	*OCCCCCCCCCCCCCC/15C/3=O022222222222133	iso-pentadecanoic acid
iC15			23	23	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddd
iPam	mva*	lip	1	1	*OCCCCCCCCCCCCCCC/16C/3=O0222222222222133	isopalmitic acid
iPam			19	13	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddd
iVl	mva*	lip	4	3	*OCCCC/5C/3=O02133	isovaleric acid
iVl			19	19	[CH3][CH]([CH3])[CH2][C](=O)O adddd
Lac	nsu	lip	145	91	1OCC^XO2/4C/3=O013	lactic acid (2-hydroxypropanoic acid) (substituent for 2-ether: 1-carboxyethyl). WURCS is for 1-O-linked Lac
R-Lac S-Lac ?-Lac			99 89 64	98 88 62	[CH3][C@@H](O)[C](=O)O aod [CH3][C@H](O)[C](=O)O aod [CH3][CH](O)[C](=O)O aod
Lau	mva*	lip	279	141	*OCCCCCCCCCCCC/3=O022222222223	lauric acid (dodecanoic acid)
Lau			589	473	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddd
Lig	mva*	lip	5	4	*OCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222223	lignoceric acid (tetracosanoic acid)
Lig			40	40	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddddddddd
Lin	mva*	lip	14	4	*OCCCCCCCCC=^ZCCC=^ZCCCCCC/3=O/022222221121122223	linoleic acid (cis,cis-9,12-octadecadienoic acid)
Lin			39	27	[CH3][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdDDddddd
LIP	nsu*	lip	1282	190	A	superclass: lipid residue
LIP			1431	821	<ANY>
Mar	mva*	lip	1	1	*OCCCCCCCCCCCCCCCCC/3=O02222222222222223	margaric acid (heptadecanoic acid)
Mar			27	19	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddd
Mon	mva*	lip	13	5	*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222222222223	montanic acid (octacosanoic acid)
Mon			8	8	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddddddddddddd
Mycolic	nsu*	lip	191	8	1OCC^XC^XCCCCCCCCCCCCCCC/5O3/4CCCCCCCCCCCCCC/3=O01122222222222222322222222222223	corynomycolic acid (C32)
Mycolic			57	19	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH]([CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3])[C](=O)O adoddddddddddddddddddddddddddddd
Myr	mva*	lip	285	129	*OCCCCCCCCCCCCCC/3=O02222222222223	myristic acid (tetradecanoic acid)
Myr			539	444	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddd
Oco	mva*	lip	50	14	*OCCCCCCCC/3=O02222223	octanoic acid
Oco			76	58	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddd
Ole	mva*	lip	42	14	*OCCCCCCCCC=^ZCCCCCCCCC/3=O022222221122222223	oleic acid (cis-9-octadecenoic acid)
Ole			119	99	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddddd
Pam	mva*	lip	283	106	*OCCCCCCCCCCCCCCCC/3=O0222222222222223	palmitic acid (hexadecanoic acid)
Pam			606	511	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddd
Phthi	mva*	lip	7	2	*OCC=^XCC^XCCCCCCCCCCCCCCCCCCCC/8C/6C/4C/3=O001121222222222222222223333	+C27-phthienoic acid (2,4,6-trimethyl-tetracos-2-enoic acid)
Phthi			12	3	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH]([CH3])[CH]=[C]([CH3])[C](=O)O aDDdddddddddddddddddddddddd
Psyllic	mva*	lip	0	0	*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222222222222223	psyllic acid (tritriacontanoic acid)
no configuration variants are populated					adddddddddddddddddddddddddddddddd (acyclic)
Ricn	nsu*	lip	0	0	1OCCCCCCCCC=^ZCCCCC^RCCCC/14O12/3=O022222221121222223	ricinoleic acid (12-R-hydroxy-cis-9-octadecenoic acid)
no configuration variants are populated					adddddddDDdodddddd (acyclic)
RRDhpa	nsu*	lip	2	2	1OC^RCC^RCC/4O2/6O*4/3=O01213	2R,4R-dihydroxy-valeric acid (dihydroxypentanoic acid)
RRDhpa			2	2	[CH3][C@@H](O)[CH2][C@@H](O)[C](=O)O aodod
SPH	nsu*	lip	5	3	@SPHINGOID	superclass: sphyngoid
SPH			6	6	<ANY>
SRDhpa	nsu*	lip	1	1	1OC^SCC^RCC/4O2/6O*4/3=O01213	2S,4R-dihydroxy-valeric acid (dihydroxypentanoic acid)
SRDhpa			5	5	[CH3][C@@H](O)[CH2][C@H](O)[C](=O)O aodod
SS3,5HOHex	nsu*	lip	6	2	1OCCC^SCC^SC/7O5/5O*3/3=O021213	3S,5S-dihydroxyhexanoic acid
SS3,5HOHex			7	7	[CH3][C@H](O)[CH2][C@H](O)[CH2][C](=O)O adodod
Ste	mva*	lip	109	38	*OCCCCCCCCCCCCCCCCCC/3=O022222222222222223	stearic acid (octadecanoic acid)
Ste			217	185	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddd
Tig	mva*	lip	4	1	*OCC=^ECC/4C/3=O00133	tiglic acid ((E)-2-methylbut-2-enoic acid)
Tig			61	57	[CH3]/[CH]=[C]([CH3])/[C](=O)O aDDdd
Vac	mva*	lip	6	3	*OCCCCCCCCCCC=^XCCCCCCC/3=O022222222211222223	vaccenic acid (11-octadecenoic acid)
Vac			29	29	[CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddDDdddddd
Vl	mva*	lip	3	3	*OCCCCC/3=O02223	valeric acid
Vl			7	7	[CH3][CH2][CH2][CH2][C](=O)O adddd

Residue	Size	Type	Abundance	Structures	WURCSProton count / Atom types	Description
9b1SphdC19	nsu*	sph	84	14	1OCCCC=^ECCCC=^ECCCCCCCCCC/11C/5O3/4N*22111122102222222233	(4E,8E)-9-methyl-4,8-sphingadienine-C18
9b1SphdC19			32	31	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[C]([CH3])=[CH]/[CH2][CH2]/[CH]=[CH]/[CH](O)[CH](N)[CH2]O onoDDddDDdddddddddd
cis-Sph	nsu*	sph	0	0	1OCC^SC^RC=^ZCCCCCCCCCC/5O3/4N*2	any cis-sphingenine (2S,3R,4Z-2-amino-4-en-1,3-diol) (4Z-sphingenine)
no configuration variants are populated
cis-SphC16	nsu*	sph	0	0	1OCC^SC^RC=^ZCCCCCCCCCCCC/5O3/4N*22111122222222223	cis-hexadecasphingosine
no configuration variants are populated					onoDDddddddddddd (acyclic)
cis-SphC20	nsu*	sph	0	0	1OCC^SC^RC=^ZCCCCCCCCCCCCCCCC/5O3/4N*221111222222222222223	cis-icosasphingosine
no configuration variants are populated					onoDDddddddddddddddd (acyclic)
cis-SphC22	nsu*	sph	0	0	1OCC^SC^RC=^ZCCCCCCCCCCCCCCCCCC/5O3/4N*22111122222222222222223	cis-sphingosine C22
no configuration variants are populated					onoDDddddddddddddddddd (acyclic)
phSph	nsu*	sph	4	2	1OCC^SC^SC^RCCCCCCCCCC/6O4/5O3/4N2	any phytosphingosine (2S,3S,4R-2-amino-1,3,4-triol)
phSph			22	22	<ANY>
phSphC18	nsu*	sph	66	21	1OCC^SC^SC^RCCCCCCCCCCCCCC/6O4/5O3/4N2211122222222222223	phytosphingosine
phSphC18			209	209	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C@H](O)[C@@H](N)[CH2]O onoodddddddddddddd
phSphC20	nsu*	sph	12	3	1OCC^SC^SC^RCCCCCCCCCCCCCCCC/6O4/5O3/4N221112222222222222223	icosaphytosphingosine
phSphC20			14	14	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C@H](O)[C@@H](N)[CH2]O onoodddddddddddddddd
phSphC22	nsu*	sph	0	0	1OCC^SC^SC^RCCCCCCCCCCCCCCCCCC/6O4/5O3/4N22111222222222222222223	phytosphingosine C22
no configuration variants are populated					onoodddddddddddddddddd (acyclic)
RRSphnC16	nsu*	sph	0	0	1OCC^RC^RCCCCCCCCCCCCC/5O3/4N*22112222222222223	RR-hexadecasphynganine (D-threo-2-amino-1,3-hexadecanediol)
no configuration variants are populated					onoddddddddddddd (acyclic)
RRSphnC22	nsu*	sph	0	0	1OCC^RC^RCCCCCCCCCCCCCCCCCCC/5O3/4N*22112222222222222222223	RR-sphinganine C22
no configuration variants are populated					onoddddddddddddddddddd (acyclic)
Sph	nsu*	sph	25	10	1OCC^SC^RC=^ECCCCCCCCCC/5O3/4N*2	any sphingosine, any sphingenine (2S,3R,4E-2-amino-4-en-1,3-diol) (4E-sphingenine)
Sph			36	36	<ANY>
SphC16	nsu*	sph	5	3	1OCC^SC^RC=^ECCCCCCCCCCCC/5O3/4N*22111122222222223	hexadecasphingosine
SphC16			3	3	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C@@H](O)[C@@H](N)[CH2]O onoDDddddddddddd
SphC18	nsu*	sph	11	5	1OCC^SC^RC=^ECCCCCCCCCCCCCC/5O3/4N*2211112222222222223	sphingosine
SphC18			172	171	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C@@H](O)[C@@H](N)[CH2]O onoDDddddddddddddd
SphC22	nsu*	sph	0	0	1OCC^SC^RC=^ECCCCCCCCCCCCCCCCCC/5O3/4N*22111122222222222222223	sphingosine C22
no configuration variants are populated					onoDDddddddddddddddddd (acyclic)
Sphd	nsu*	sph	24	10	1OCC^SC^RC=^ECCCC=^ECCCCCC/5O3/4N*2	any 4E,8E-sphingadienine
Sphd			35	35	<ANY>
SphdC18	nsu*	sph	5	3	1OCC^SC^RC=^ECCCC=^ECCCCCCCCCC/5O3/4N*2211112211222222223	4E,8E-sphingadienine
SphdC18			5	5	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH2][CH2]/[CH]=[CH]/[CH](O)[CH](N)[CH2]O onoDDddDDddddddddd
Spht	nsu*	sph	6	2	1OCC^SC^RC=^ECCCC=^ECC=^ECCCC/5O3/4N*2	any 4E,8E,10E-sphingatrienine
Spht			5	5	<ANY>
SR9b1SphdC18	nsu*	sph	1	1	1OCC^SC^RC=^ECCCC=^ECCCCCCCCC/11C/5O3/4N*2211112210222222233	(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C17
SR9b1SphdC18			6	6	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[C]([CH3])=[CH]/[CH2][CH2]/[CH]=[CH]/[C@@H](O)[C@@H](N)[CH2]O onoDDddDDddddddddd
SR9b1SphdC19	nsu*	sph	131	37	1OCC^SC^RC=^ECCCC=^ECCCCCCCCCC/11C/5O3/4N*22111122102222222233	(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C18
SR9b1SphdC19			112	112	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[C]([CH3])=[CH]/[CH2][CH2]/[CH]=[CH]/[C@@H](O)[C@@H](N)[CH2]O onoDDddDDdddddddddd
SRSphnC16	nsu*	sph	0	0	1OCC^SC^RCCCCCCCCCCCCC/5O3/4N*22112222222222223	SR-hexadecasphynganine (D-erythro-2-amino-1,3-hexadecanediol)
no configuration variants are populated					onoddddddddddddd (acyclic)
SRSphnC18	nsu*	sph	6	4	1OCC^SC^RCCCCCCCCCCCCCCC/5O3/4N*2211222222222222223	SR-sphinganine (D-erythro-2-amino-1,3-octadecanediol)
SRSphnC18			18	18	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C@@H](N)[CH2]O onoddddddddddddddd
SRSphnC20	nsu*	sph	0	0	1OCC^SC^RCCCCCCCCCCCCCCCCC/5O3/4N*221122222222222222223	SR-icosasphinganine (D-erythro-2-amino-1,3-icosanediol)
no configuration variants are populated					onoddddddddddddddddd (acyclic)
SRSphnC22	nsu*	sph	0	0	1OCC^SC^RCCCCCCCCCCCCCCCCCCC/5O3/4N*22112222222222222222223	SR-sphinganine C22
no configuration variants are populated					onoddddddddddddddddddd (acyclic)

Residue	Size	Type	Abundance	Structures	WURCSProton count / Atom types	Description
alloIno	nsu*	ino	0	0	112222111111	allo-inositol (cis-1,2-trans-3,4,5,6-cyclohexanehexol)
no configuration variants are populated					oooooo (acyclic)
cisIno	nsu*	ino	0	0	111111111111	cis-inositol (cis-1,2,3,4,5,6-cyclohexanehexol)
no configuration variants are populated					oooooo (acyclic)
epiIno	nsu*	ino	0	0	122222111111	epi-inositol (cis-1-trans-2,3,4,5,6-cyclohexanehexol)
no configuration variants are populated					oooooo (acyclic)
mucoIno	nsu*	ino	0	0	112112111111	muco-inositol (cis-1,2,4,5-trans-3,6-cyclohexanehexol)
no configuration variants are populated					oooooo (acyclic)
myoIno	nsu*	ino	309	123	111212111111	myo-inositol (cis-1,2,3,5-trans-4,6-cyclohexanehexol) [2OH ax, other OH eq]
myoIno			542	539	[C@H](O)1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooooo
neoIno	nsu*	ino	0	0	111222111111	neo-inositol (cis-1,2,3-trans-4,5,6-cyclohexanehexol)
no configuration variants are populated					oooooo (acyclic)

Residue	Size	Type	Abundance	Structures	WURCSProton count / Atom types	Description
Ala	nsu	pep	437	125	A2m_2*N013	alanine
D-Ala L-Ala ?-Ala			443 437 223	261 389 136	[CH3][C@@H](N)[C](=O)O and [CH3][C@H](N)[C](=O)O and [CH3][CH](N)[C](=O)O and
Asn	nsu	pep	77	52	A2dA_2N_4N0120	asparagine
?-Asn L-Asn			206 97	205 90	[C](=O)(N)[CH2][CH](N)[C](=O)O andN [C](=O)(N)[CH2][C@H](N)[C](=O)O andN
Asp	nsu	pep	6	6	A2dA_2*N0120	aspartic acid
D-Asp ?-Asp L-Asp			16 10 4	16 10 4	[C](=O)(O)[CH2][C@@H](N)[C](=O)O anda [C](=O)(O)[CH2][CH](N)[C](=O)O anda [C](=O)(O)[CH2][C@H](N)[C](=O)O anda
aThr	nsu	pep	11	6	A22m_2*N0113	allothreonine (2S,3S)
D-aThr ?-aThr L-aThr			64 2 2	63 2 2	[CH3][C@@H](O)[C@@H](N)[C](=O)O anod 2 variants possible; use an icon → anod [CH3][C@H](O)[C@H](N)[C](=O)O anod
Cys	nsu	pep	19	5	A2h_2N_3S012	cysteine
L-Cys ?-Cys D-Cys			12 4 1	12 4 1	[CH2](S)[C@H](N)[C](=O)O anh [CH2](S)[CH](N)[C](=O)O anh [CH2](S)[C@@H](N)[C](=O)O anh
Gln	nsu	pep	6	6	A2ddA_2N_5N01220	glutamine
L-Gln ?-Gln D-Gln			17 16 7	17 15 7	[C](=O)(N)[CH2][CH2][C@H](N)[C](=O)O anddN [C](=O)(N)[CH2][CH2][CH](N)[C](=O)O anddN [C](=O)(N)[CH2][CH2][C@@H](N)[C](=O)O anddN
Glu	nsu	pep	19	11	A2ddA_2*N01220	glutamic acid
D-Glu ?-Glu L-Glu			139 50 27	111 39 27	[C](=O)(O)[CH2][CH2][C@@H](N)[C](=O)O andda [C](=O)(O)[CH2][CH2][CH](N)[C](=O)O andda [C](=O)(O)[CH2][CH2][C@H](N)[C](=O)O andda
Gly	nsu*	pep	78	35	Ah_2*N02	glycine
Gly			189	159	[CH2](N)[C](=O)O an
HSer	nsu	pep	1	1	A2dh_2*N0122	homoserine
D-HSer			4	4	[CH2](O)[CH2][C@@H](N)[C](=O)O ando
iGln	nsu	pep	1	1	Add2A_4N_5N02210	isoglutamine
D-iGln ?-iGln			13 2	10 2	[C](=O)(N)[C@@H](N)[CH2][CH2][C](=O)O addnn [C](=O)(N)[CH](N)[CH2][CH2][C](=O)O addnn
Ile	nsu	pep	1	1	A2ddm_2N_3C011233	isoleucine
?-Ile L-Ile D-Ile			9 6 2	7 6 2	2 variants possible; use an icon → andddd [CH3][CH2][C@H]([CH3])[C@H](N)[C](=O)O andddd [CH3][CH2][C@@H]([CH3])[C@@H](N)[C](=O)O andddd
Leu	nsu	pep	8	4	A2ddm_2N_4C012133	leucine
?-Leu L-Leu D-Leu			13 8 4	13 6 2	[CH3][CH]([CH3])[CH2][CH](N)[C](=O)O andddd [CH3][CH]([CH3])[CH2][C@H](N)[C](=O)O andddd [CH3][CH]([CH3])[CH2][C@@H](N)[C](=O)O andddd
Lys	nsu	pep	33	15	A2dddh_2N_6N012222	lysine
L-Lys ?-Lys D-Lys			161 51 4	134 39 1	[CH2](N)[CH2][CH2][CH2][C@H](N)[C](=O)O andddn [CH2](N)[CH2][CH2][CH2][CH](N)[C](=O)O andddn [CH2](N)[CH2][CH2][CH2][C@@H](N)[C](=O)O andddn
mPmN2	nsu*	pep	9	5	A2ddd1A_2N_6N0122210	meso-diaminopimelic acid (HOOC-(S)CH(NH2)-CH2-CH2-CH2-(R)CH(NH2)-COOH)
mPmN2			61	51	[C](=O)(O)[C@H](N)[CH2][CH2][CH2][C@H](N)[C](=O)O andddna
Nle	nsu	pep	0	0	A2dddm_2*N012223	norleucine
no configuration variants are populated					andddd (acyclic)
Nva	nsu	pep	0	0	A2ddm_2*N01223	norvaline
no configuration variants are populated					anddd (acyclic)
Orn	nsu	pep	5	2	A2ddh_2N_5N01222	ornithine
L-Orn D-Orn			3 2	3 1	[CH2](N)[CH2][CH2][C@H](N)[C](=O)O anddn [CH2](N)[CH2][CH2][C@@H](N)[C](=O)O anddn
Phe	nsu	pep	5	3	A2_2N_2C(CC^ZCC^ZCC^Z$3)012011111	phenylalanine
D-Phe ?-Phe L-Phe			42 25 11	42 21 11	[CH]1=[CH][CH]=[CH][CH]=[C]1[CH2][C@@H](N)[C](=O)O andDDDDDD [CH]1=[CH][CH]=[CH][CH]=[C]1[CH2][CH](N)[C](=O)O andDDDDDD [CH]1=[CH][CH]=[CH][CH]=[C]1[CH2][C@H](N)[C](=O)O andDDDDDD
Ply	nsu	pep	0	0	A2dddh_2N_6NCC^RC^RCC=^ZN$4/5C/3=O012222011213	pyrrolysine (N6-{[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-lysine)
no configuration variants are populated					andddnNnddNd (acyclic)
Pro	nsu	pep	4	2	A2ddh_2-5N01222	proline
?-Pro L-Pro D-Pro			82 11 5	40 6 5	[CH2]1[CH2][CH2][CH](N1)[C](=O)(O) anddx [CH2]1[CH2][CH2][C@H](N1)[C](=O)(O) anddx [CH2]1[CH2][CH2][C@@H](N1)[C](=O)(O) anddx
RRCetLys	nsu*	pep	0	0	A2dddh_2N_6NC^RCO/4=O/3C012222013	(2R,8R)-N(epsilon)-(1-carboxyethyl)lysine (derived from D-Lys)
no configuration variants are populated					andddnaxd (acyclic)
Sec	nsu	pep	0	0	A2h_2N_3Se012	selenocysteine
no configuration variants are populated					anh (acyclic)
Ser	nsu	pep	69	33	A2h_2*N012	serine
?-Ser L-Ser D-Ser			172 91 9	125 69 7	[CH2](O)[CH](N)[C](=O)O ano [CH2](O)[C@H](N)[C](=O)O ano [CH2](O)[C@@H](N)[C](=O)O ano
SRCetLys	nsu*	pep	15	5	A1dddh_2N_6NC^RCO/4=O/3C012222013	(2S,8R)-N(epsilon)-(1-carboxyethyl)lysine (derived from L-Lys)
SRCetLys			9	9	[CH2](N)[CH2][CH2][CH2][C@H](N[C@H]([CH3])[C](=O)O)[C](=O)O andddnaxd
SSCetLys	nsu*	pep	1	1	A1dddh_2N_6NC^RCO/4=O/3C012222013	(2S,8S)-N(epsilon)-(1-carboxyethyl)lysine (derived from L-Lys)
SSCetLys			7	7	[CH2](N)[CH2][CH2][CH2][C@H](N[C@@H]([CH3])[C](=O)O)[C](=O)O andddnaxd
Thr	nsu	pep	64	25	A21m_2*N0113	threonine (2S,3R)
?-Thr L-Thr D-Thr			206 72 1	160 65 1	2 variants possible; use an icon → anod [CH3][C@@H](O)[C@H](N)[C](=O)O anod [CH3][C@H](O)[C@@H](N)[C](=O)O anod
Tyr	nsu	pep	3	3	A2_2N_2C(CC^ZCC^ZCC^Z$3)/6O012011011	tyrosine
?-Tyr L-Tyr D-Tyr			64 8 8	64 7 8	[CH]1=[CH][C](O)=[CH][CH]=[C]1[CH2][CH](N)[C](=O)O andDDDODD [CH]1=[CH][C](O)=[CH][CH]=[C]1[CH2][C@H](N)[C](=O)O andDDDODD [CH]1=[CH][C](O)=[CH][CH]=[C]1[CH2][C@@H](N)[C](=O)O andDDDODD
Val	nsu	pep	8	3	A2dm_2N_3C01133	valine
?-Val L-Val			69 24	59 9	[CH3][CH]([CH3])[CH](N)[C](=O)O anddd [CH3][CH]([CH3])[C@H](N)[C](=O)O anddd

Residue	Size	Abundance	Structures	WURCSProton count / Atom types	Description
2,4HO3,3,4MePro-5-oxo	nsu	1	1	AxCXA-2x_2-5N_3C_3C_4*C00000333	2,4-dihydroxy-3,3,4-trimethyl-5-oxoproline
?-2,4HO3,3,4MePro-5-oxo		4	4	[C](=O)1[C]([CH3])(O)[C]([CH3])([CH3])[C](O)(N1C)[C](=O)(O) aodoNddd
2HOGlt	nsu	1	1	1OCC^XCCCO5/7=O/4O*2/3=O01220	2-hydroxyglutaric acid
S-2HOGlt R-2HOGlt		4 1	4 1	[C](=O)(O)[CH2][CH2][C@H](O)[C](=O)(O) aodda [C](=O)(O)[CH2][CH2][C@@H](O)[C](=O)(O) aodda
2HOSuc	nsu	8	4	1OCC^XCCO4/6=O/4O*2/3=O0120	malic acid (2-hydroxysuccinic acid)
?-2HOSuc S-2HOSuc R-2HOSuc		14 6 6	14 6 5	[C](=O)(O)[CH2][CH](O)[C](=O)(O) aoda [C](=O)(O)[CH2][C@H](O)[C](=O)(O) aoda [C](=O)(O)[CH2][C@@H](O)[C](=O)(O) aoda
2NBz	nsu*	1	1	7OC(CC^ECC^ZCC^Z$4)/5N2/3=O0011110	2-aminobenzoic acid (anthranilic acid)
2NBz		8	8	[CH]1=[CH][CH]=[CH][C](N)=[C]1[C](=O)O DNDDDDa
3,4,8HOPhet	nsu*	4	4	8OCC(CC^ECC^ECC^Z$4$5)/8O4/7O*301001122	3,4,8-trihydroxy-ethylbenzene (phenylethan-3,4,8-triol, hydroxytyrosol)
3,4,8HOPhet		199	199	[CH]1=[CH][C](O)=[C](O)[CH]=[C]1[CH2][CH2]O DDOODDdo
3,4HO1,3MePro-5-oxo	nsu	7	3	AxXxA_2-5N/2C_3*C0101033	3,4-dihydroxy-N,3-dimethyl-5-oxoproline
D-3,4HO1,3MePro-5-oxo		3	3	[C](=O)1[CH](O)[C]([CH3])(O)[C@@H](N1C)[C](=O)(O) anooNdd
3HO2,3MePro-5-oxo	nsu	4	4	AaXdA-2x_2-5N_2C_3C0002033	3-hydroxy-2,3-dimethyl-5-oxoproline (RR, SS, RS, SR = unknown)
?-3HO2,3MePro-5-oxo		15	15	[C](=O)1[CH2][C]([CH3])(O)[C]([CH3])(N1)[C](=O)(O) anodNdd
3HO3MeGlt	nsu	2	2	1OCCC^XCCO5/7=O/5C/5O*3/3=O020203	3-hydroxy-3-methylglutaric acid
?-3HO3MeGlt R-3HO3MeGlt S-3HO3MeGlt		39 6 1	39 6 1	[C](=O)(O)[CH2][C]([CH3])(O)[CH2][C](=O)(O) adodad [C](=O)(O)[CH2][C]([CH3])(O)[CH2][C](=O)(O) adodad [C](=O)(O)[CH2][C]([CH3])(O)[CH2][C](=O)(O) adodad
4HOBz	nsu*	2	1	7OC(CC^ZCC^ECC^Z$4)/7O4/3=O0110110	4-hydroxybenzoic acid (p-hydroxybenzoic)
4HOBz		46	40	[CH]1=[CH][C](O)=[CH][CH]=[C]1[C](=O)O DDDODDa
4NBz	nsu*	1	1	7OC(CC^ZCC^ECC^Z$4)/7N4/3=O0110110	4-aminobenzoic acid
4NBz		10	10	[CH]1=[CH][C](N)=[CH][CH]=[C]1[C](=O)O DDDNDDa
Ac	mva*	18421	3381	*OCC/3=O03	acetic acid
Ac		28632	13603	[CH3][C](=O)O ad
Aep	nsu*	22	6	1OPCCN3/3O/3=O022	2-amino-ethylphosphonic acid
Aep		38	32	[CH2](N)[CH2][1P](=O)(O)O adn
Allyl	mva*	9	5	*OCC=C212	allyl alcohol
Allyl		88	88	[CH2]=[CH][CH2]O oDD
Am	mva*	113	62	*OCC/3=N13	acetimidic acid (HO-C(=NH)-CH3)
Am		230	214	[CH3][C](=N)O ad
Apigenin	nsu*	8	7	@apigenin~0010010100011011	5,7,4'-trihydroxyflavone (atom 1 is O)
Apigenin		130	130	O=C(C1=[C](O)[CH]=[C](O)[CH]=C1O2)[CH]=C2C3=CC=[C](O)C=C3 .DDxODODDDDDDODD
Bn	mva*	29	8	*OC(CC^ZCC^ZCC^Z$4)0111112	benzoic alcohol
Bn		45	45	[CH]1=[CH][CH]=[CH][CH]=[C]1[CH2]O DDDDDDo
Bz	mva*	5	1	*OC(CC^ZCC^ZCC^Z$4)/3=O0111110	benzoic acid
Bz		191	163	[CH]1=[CH][CH]=[CH][CH]=[C]1[C](=O)O DDDDDDa
C	nsu*	2	1	OCO/3=O	carbonic acid
C		41	7	[C](O)(O)=O a
Caf	nsu*	3	3	9OCC=^EC(CC^ECC^ECC^Z$4)/9O4/8O*3/3=O010011110	caffeic acid (E-3-(3,4-dihydroxyphenyl)-2-propenoic)
Caf		274	272	[CH]1=[CH][C](O)=[C](O)[CH]=[C]1/[CH]=[CH]/[C](=O)O DDOODDDDa
CetEtN	nsu	2	2	1OCCNC^XCO3/7=O/6C22130	2-(1-carboxyethylamino)ethanol [N-(2-hydroxyethyl)alanine]
R-CetEtN		6	6	[CH3][C@@H](N[CH2][CH2]O)[C](=O)O oxnda
Cho	nsu*	115	37	*OCCNC/5C/5C22?	choline (2-(trimethylammonio)ethanol)
Cho		351	277	C[N+](C)(C)[CH2][CH2]O odx
Cin	nsu*	7	3	*OCC=^EC(CC^ZCC^ZCC^Z$4)/3=O011111110	cinnamic acid (E-3-phenylprop-2-enoic)
Cin		95	92	[CH]1=[CH][CH]=[CH][CH]=[C]1/[CH]=[CH]/[C](=O)O DDDDDDDDa
Cm	mva*	31	13	*NCO/3=O	carbamic acid (H2N-COOH) (WURCS is given for N-linked Cm)
Cm		205	177	[C](=O)(O)N ?
Cyanidin	nsu*	1	1	@cyanidin~0001010100010011	3,3',4',5,7-pentahydroxyflavylium (atom 1 is O)
Cyanidin		108	108	O[C]1=C(C2=CC=[C](O)[C](O)=C2)[O+]=C3[CH]=[C](O)[CH]=[C](O)C3=C1 .DODODODDDDDOODD
EtN	nsu*	707	284	1OCCN222	2-aminoethanol (ethanolamine)
EtN		2068	1565	[CH2](N)[CH2](O) on
Fo	mva*	266	43	*OC=O	formic acid
Fo		303	184	[CH](=O)O a
Glt	nsu*	0	0	OCCCCCO/7=O/3=O02220	glutaric acid (HOOC-CH2-CH2-CH2-COOH)
no configuration variants are populated				addda (acyclic)
INO	nsu*	10	2	QQQQQQ	superclass: any inositol
INO		142	140	<ANY>
Kaempferol	nsu*	5	5	@kaempferol~0000010100011011	3,5,7,4'-tetrahydroxyflavone (atom 1 is O)
Kaempferol		272	272	O[C]1=C(C2=CC=[C](O)C=C2)OC3=C([C](O)=[CH][C](O)=[CH]3)C1=O .DOxODODDDDDDODD
Mal	nsu*	12	6	OCCCO/5=O/3=O020	malonic acid (HOOC-CH2-COOH)
Mal		123	122	[C](=O)(O)[CH2][C](=O)(O) ada
MVA	mva*	0	0		superclass: any monovalent residue
no configuration variants are populated
Myricetin	nsu*	1	1	@myricetin~0000010100010001	3,5,7,3',4',5'-hexahydroxyflavone (atom 1 is O)
Myricetin		44	44	O[C]1=C(C2=C[C](O)=[C](O)[C](O)=C2)OC3=C([C](O)=[CH][C](O)=[CH]3)C1=O .DOxODODDDDDOOOD
NH2	mva*	119	59	*N	ammonia
NH2		306	209	[1NH3] n
nucA	nsu*	61	11	a222h-1b_1-4_1(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5OPO/3O/3=O1111210001	adenosine (A, bDRibf + 6-aminopurine)
nucA		58	45	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[CH]=N[C]3=[C]2N=[CH]N=[C](N)3)1 xoodoDDDND
nucC	nsu*	19	7	a222h-1b_1-4_1NCN=^ECC=^ZC$2/5N/3=O_5OPO/3O/3=O111120011	cytidine (C, bDRibf + 4-amino-1H-pyrimidine-2-one)
nucC		64	54	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[C](=O)N=[C](N)[CH]=[CH]2)1 xoodoxNDD
nucdA	nsu*	15	3	ad22h-1b_1-4_1(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5OPO/3O/3=O1211210001	deoxyadenosine (dA, bD2dRibf + 6-aminopurine)
nucdA		14	7	[CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[CH]=N[C]3=[C]2N=[CH]N=[C](N)3)1 xdodoDDDND
nucdG	nsu*	9	3	ad22h-1b_1-4_1(NC^ZCN^ZC$2)/4CNC=^ZN$3/10N/8=O_5OPO/3O/3=O1211200001	deoxyguanosine (dG, bD2dRibf + 2-amino-6-hydroxypurine)
nucdG		21	14	[CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[CH]=N[C]3=[C]2N=[C](N)N[C](=O)3)1 xdodoNDDND
nucdT	nsu*	13	7	ad22h-1b_1-4_1NCNCC=^ZC$2/6C/5=O/3=O_5OPO/3O/3=O1211200013	deoxythymidine (dT, bD2dRibf + 5-methyluracil)
nucdT		84	59	[CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[C](=O)[53NH][C](=O)[C]([CH3])=[CH]2)1 xdodoNNDDd
nucdU	nsu*	13	2	ad22h-1b_1-4_1NCNCC=^ZC$2/5=O/3=O_5OPO/3O/3=O121120011	deoxyuridine (dU, bD2dRibf + 2-oxy-4-oxy-pyrimidine)
nucdU		3	3	[CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[C](=O)N[C](=O)[CH]=[CH]2)1 xdodoxNDD
nucG	nsu*	40	7	a222h-1b_1-4_1(NC^ZCN^ZC$2)/4CNC=^ZN$3/10N/8=O_5OPO/3O/3=O1111200001	guanosine (G, bDRibf + 2-amino-6-hydroxypurine)
nucG		66	56	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[CH]=N[C]3=[C]2N=[C](N)N[C](=O)3)1 xoodoNDDND
nucT	nsu*	17	4	a222h-1b_1-4_1NCNCC=^ZC$2/6C/5=O/3=O_5OPO/3O/3=O1111200013	thymidine (T, bDRibf + 5-methyluracil)
nucT		31	21	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[C](=O)[53NH][C](=O)[C]([CH3])=[CH]2)1 xoodoNNDDd
nucU	nsu*	40	16	a222h-1b_1-4_1NCNCC=^ZC$2/5=O/3=O_5OPO/3O/3=O111120011	uridine (U, bDRibf + 2-oxy-4-oxy-pyrimidine)
nucU		140	134	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[C](=O)N[C](=O)[CH]=[CH]2)1 xoodoxNDD
Ors	nsu*	15	13	@orsellinic~00101003	2,4-dihydroxy-6-methylbenzoic acid (orsellinic acid), carboxyl group is C7
Ors		49	38	[C]([CH3])1=[CH][C](O)=[CH][C](O)=[C]1[C](=O)O DODODDad
P	nsu*	4994	1296	OPO/3O/3=O	phosphoric acid
P		11454	6219	[1P](O)(O)(O)=O a
PhNO2	mva*	1	1	O(CC^ZCC^ZCC^Z$3)/7N=O4/7O011011	@paranitrolhenol~
PhNO2		5	5	[CH]1=[CH][C]([N+]([O-])=O)=[CH][CH]=[C]1(O) ODDxDD
Pp	mva*	45	12	*OCCC/3=O023	propanoic acid
Pp		82	43	[CH3][CH2][C](=O)O add
Pro-5-oxo	nsu	0	0	AxddA_2-5N01220	5-oxoprolin (pyroglutamic acid, pidolic acid)
no configuration variants are populated				anddN (acyclic)
Protopanaxadiol20s	nsu*	16	6	@20S-protopanaxadiol~221012201021102213303221033333	20S-protopanaxadiol (dammar-24-en-3b,12b,20S-triol), atom numbering: https://www.researchgate.net/publication/236080758/figure/fig1/AS:601683658829855@1520463971501/The-structure-and-atom-numbering-of-M1.png
Protopanaxadiol20s		76	76	O[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])C[C@@H](O)[C@@]4([H])[C@@]3(C)CC[C@@]4([C@@](CC/C=C(C)/C)(C)O)[H])([H])C1(C)C ddoddddddddodddddddodddDDddddd
Protopanaxatriol20s	nsu*	5	5	@20S-protopanaxatriol~221011201021102213303221033333	20S-protopanaxatriol (dammar-24-en-3b,6a,12b,20S-tetrol)
Protopanaxatriol20s		38	38	O[C@H]1[C@@]([C@]([C@@](CC/C=C(C)C)(C)O)([H])CC2)([H])[C@]2(C)[C@@](C3)(C)[C@@](C1)([H])[C@](CC4)(C)[C@@](C(C)(C)[C@H]4O)([H])[C@H]3O ddoddodddddodddddddodddDDddddd
Pyr	nsu	434	207	OC^XO/3CO/6=O/3C003	pyruvic acetal (2-oxopropanoic acid acetal)
?-Pyr R-Pyr S-Pyr		255 161 159	222 149 152	[CH3][C](O)(O)[C](=O)O aAd [CH3][C](O)(O)[C](=O)O aAd [CH3][C](O)(O)[C](=O)O aAd
Quercetin	nsu*	85	24	@quercetin~0000010100010011	3,5,7,3',4'-pentahydroxyflavone
Quercetin		286	285	O[C]1=C(C2=C[C](O)=[C](O)C=C2)OC3=C([C](O)=[CH][C](O)=[CH]3)C1=O .DOxODODDDDDOODD
RR3HO3MePro-5-oxo	nsu*	2	1	A26dA_2-5N_3*C010203	(2R,3R)-3-hydroxy-3-methyl-5-oxoproline
RR3HO3MePro-5-oxo		3	3	[C](=O)1[CH2][C@@]([CH3])(O)[C@@H](N1)[C](=O)(O) anodNd
S	nsu*	297	47	OSO/3=O/3=O	sulfuric acid
S		700	402	[1S](O)(O)(=O)=O a
Sal	nsu*	3	1	7OC(CC^ECC^ZCC^Z$4)/5O2/3=O0011110	2-hydroxybenzoic acid (salicylic acid)
Sal		24	24	[CH]1=[CH][CH]=[CH][C](O)=[C]1[C](=O)O DODDDDa
Subst1	*	264	124	@Subst1	alias: another substituent
peptidoglycan hydroxypyridylhomothreonine < untitled 0 > fusicoccin A aglycon sordaricin glutaminol 2-methylhexa-2Z,4Z-dienoic acid < untitled 1 > 2R,31-dihydroxy dotriacontanoic acid 7-hydroxy-8,14-dimethylhexadeca-2E,4E,8E,10E-tetraenoic acid gabosine E 5-(hydroxymethyl)benzene-1,3-diol (2S,3R,4R)-4-hydroxysphinganine-C18 2,5-dihydroxyterephthalic acid 2-methylhexa-2Z,4E-dienoic acid 6-amino-hexanol fusicoccin Q aglycon ISIR-050 aglycon sordaricin B hexa-2Z,4E-dienoic acid (2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C14 (Z)-2-methyl-3-((2'S,3S,3'S)-3'-methyl-[2,2'-bioxiran]-3-yl)acrylic acid 16-O-demethyl 3-epifusicoccin J aglycon 2,3-dihydroxy-undec-4-enoic acid 2,4-dihydroxyhexanedioic acid 2-((S)-oxiran-2-yl)propane-1,2-diol 2-amino-6-methyldec-6-en-1-ol 2-methylhexa-2E,4E-dienoic acid 2-methylhexa-2E,4Z-dienoic acid 2R-hydroxy-pentadec-3E-enoic acid 3,4-dihydroxybenzoic acid, protocatehuic acid 3-methylbut-2-en-1-ol 3-α-hydroxyfusicoccin J aglycon 34-carboxyl-2β-methyl-bacteriohopane-32,33-diol 5-pentylbenzene-1,3-diol 7-hydroxytetradeca-2E,4E,8E,10E-tetraenoic acid deacetylfusicoccin A aglycon FC-THF aglycon fusicoccin R aglycon ISIR-005 aglycon tyramine (2E,4E)-7-hydroxydeca-2,4-dienoic acid (2E,4E,12E)-7-hydroxy-8,14-dimethylhexadeca-2,4,12-trienoic acid (2E,4E,8E,10E)-7-hydroxy-8-methyltetradeca-2,4,8,10-tetraenoic acid (2R,3R)-2-methylbutane-1,2,3-triol (2S)-4-amino-2-hydroxybutanoic acid (2S)-sphinganine-C23 (2S,3R)-8-methyl-4E,7E-sphingadienine-C17 (2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C13 (2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C16 (2S,3R,7E)-7-methyl-7-sphingenine-C11 (2S,3S,4R)-3-hydroxy-4-methoxy-1,3-dimethyl-5-oxopyrrolidine-2-carboxamide (2S,4E,17E,19E)-18-methyl-4,17,19-sphingatrienine-C32 (2S,4E,8E)-9-methyl-4,8-sphingadienine-C18 (2Z,5E)-7-hydroxy-2-methyl-4-oxoocta-2,5-dienoic acid (E)-1-carboxy-4-(N,5-dihydroxy-3-methylpent-2-enamido)-N,N-dimethylbutan-1-amine oxide (E)-5-(N,5-dihydroxy-3-methylpent-2-enamido)-2-(dimethylamino)pentanoic acid 2,3-butanediol 2-aminoheptanedioic acid, 2-aminopimelic acid 2-methylbut-3-en-2-ol 2R,16S,17R,21S-tetrahydroxyhexacosanoic acid 2R-hydroxynonadecanoic acid 4,6-dimethyl-2-hydroxypyrimidine 5-aminopentanol 7-hydroxydodeca-2E,4E,8E,10E-tetraenoic acid carnemycin H aglycon crotonic acid hexa-2E,4Z-dienoic acid iso-(R)-3-hydroxyundecanoic acid (iso-11:0 (3-OH)) O-antigen (ID11207) O-linked carbamic acid sebacic acid TBDPS β-D-1-deoxy-amicetose			42 20 17 16 12 10 9 9 8 8 8 5 4 4 4 4 4 4 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1	SMILES C[C@@H]([C@H](N){1}C(N)=O)[C@H](O)c1ccc(O)cn1 SMILES N/C1=C(C(=O)O)/C(=O){5}C(O)CC1=O SMILES COC[C@]1(CC[C@]2([H])/C1=C\[C@]3({12}[C@@H](O)CC([C@](COC(C)=O)([H])C)=C3{9}[C@H]({8}[C@@H]([C@@H]2C)O)O)C)[H] SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3({17}CO)[C@@H]4C[C@@]2(C=O)[C@@]3({13}C(O)=O)C(C(C)C)=C4 SMILES NC(=O)CC{4}C(N){5}CO SMILES C\C=C/C=C(/C)\{1}C(=O)O SMILES C/C(=C\{1}CO)CC[C@]1(C)[C@@H](C)C/C=C/2[C@H]1CCCC2(C)C SMILES C{31}C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC{2}[C@@H](O){1}C(O)=O SMILES CCC(C)CC/C=C/C=C(C)/{7}C(O)C/C=C/C=C/{1}C(=O)O SMILES O=C1C({7}CO)=C{4}[C@@H](O){3}[C@@H](O){2}[C@@H]1O SMILES O{1}C1=C{3}C(O)=CC({7}CO)={6}C1 SMILES CCCCCCCCCCCCCC{4}[C@@H](O){3}[C@@H](O){2}[C@@H](N){1}CO SMILES O=C(O)c1cc(O)c({7}C(=O)O)cc1O SMILES C/C=C/C=C(/C)\{1}C(=O)O SMILES O{1}CCCCCC{6}N SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC[C@H]({16}CO)C1=C\[C@@]2(C){12}[C@@H](O)C3 SMILES COC{3}[C@]/1(O)CCC3C1=C/[C@]2(C)CC/C(C(C)C)=C2/{9}[C@H](O){8}[C@@H](O)[C@H]3C SMILES CC(C)/C3=C/[C@@H]2C[C@]4({15}C(=O)O)[C@@H]1CC[C@@H](C)[C@H]1C[C@@]2({17}CO)[C@]34{13}C(=O)O SMILES C/C=C/C=C\{1}C(=O)O SMILES C/C(CCCCC)=C\CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO SMILES C/C(=C/[C@@H]1OC1[C@H]2O[C@H]2C){1}C(=O)O SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC[C@@H]({16}CO)C1=C\[C@@]2(C){12}[C@@H](O)C3 SMILES CCCCCC/C=C/C(O)C(O){1}C(=O)O SMILES O=C(O)C{4}C(O)C{2}C(O){1}C(=O)O SMILES C{2}C(O)([C@H]1OC1){1}CO SMILES CCC/C=C(C)/CCC{2}[C@@H](N){1}CO SMILES C\C=C/C=C(/C)/{1}C(=O)O SMILES C/C=C/C=C(\C)\{1}C(=O)O SMILES CCCCCCCCCCC/C=C/[C@@H](O)C{1}(O)=O SMILES O={7}C(O)C1=CC(O)=C(O)C=C1 SMILES O{1}C/C=C(C)/C SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC[C@](O)({16}CO)C1=C\[C@@]2(C){12}[C@@H](O)C3 SMILES CC(CCC(O)C(O){34}C(O)=O)C1C2CC[C@@]3(C)[C@]4(C)CCC5C(C)(C)C[C@@H](C)C[C@]5(C)C4CCC3[C@@]2(C)CC1 SMILES O{1}C1=CC(CCCCC)=C{3}C(O)=C1 SMILES CCC/C=C/C=C/{7}C(O)C/C=C/C=C/{1}C(=O)O SMILES COC[C@]1(CC[C@]2([H])/C1=C\[C@]3({12}[C@@H](O)CC([C@]({15}CO)([H])C)=C3{9}[C@H]({8}[C@@H]([C@@H]2C)O)O)C)[H] SMILES COC[C@@H]3CCC\4C{8}[C@H](O){9}[C@@H](O)/C2=C(C(C)C)/[C@H]1CCO[C@H]1[C@@]2(C)/C=C34 SMILES C[C@@H]({17}CO)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC[C@](O)({16}CO)C1=C\[C@@]2(C){12}[C@@H](O)C3 SMILES COC[C@@H]2CCC\3C{8}[C@H](O){9}[C@@H](O)/C1=C(C(C)C)/CC[C@@]1(C)/C=C23 SMILES N{1}CCc1cc{6}c(O)cc1 SMILES CCC{7}C(O)C/C=C/C=C/{1}C(=O)O SMILES CCC(C)/C=C/CCCC(C){7}C(O)C/C=C/C=C/{1}C(=O)O SMILES CCC/C=C/C=C(C)/{7}C(O)C/C=C/C=C/{1}C(=O)O SMILES C{3}[C@H]({2}[C@@](O)(C){1}CO)O SMILES O={1}C(O)[C@@H](O)CCN SMILES O{1}C{2}[C@H](N){3}C(O)CCCCCCCCCCCCCCCCCCCC SMILES CCCCCCCCC/C(C)=C/C/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO SMILES CCCC/C(C)=C/CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO SMILES C/C(CCCCCCC)=C\CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO SMILES CCC/C=C(C)/CCC{3}[C@H]({2}[C@H]({1}CO)N)O SMILES O={6}C([C@H]([C@](C)(O)[C@H]1OC)N(C)C1=O)N SMILES O{3}C({2}[C@H]({1}CO)N)/C=C/CC/C=C/CCCCCCC/C=C(C)/C=C/CCCCCCCCCCCC SMILES CCCCCCCCC/C(C)=C/CC/C=C/{3}C(O){2}[C@@H](N){1}CO SMILES C/C(=C/C(=O)/C=C/C(C)O){1}C(=O)O SMILES C/C(=C\C(=O)N(O)CCCC({1}C(=O)O)N(C)(C)=O)C{11}CO SMILES C/C(=C\C(=O)N(O)CCCC({1}C(=O)O)N(C)C)C{11}CO SMILES C{2}C(O)C(O)C SMILES O{7}C(CCCC[C@H](N){1}C(O)=O)=O SMILES C{2}C(C=C)(C)O SMILES CCCCC{21}[C@H](O)CCC{17}[C@@H](O){16}[C@@H](O)CCCCCCCCCCCCC{2}[C@@H](O){1}C(=O)O SMILES CCCCCCCCCCCCCCCCC{2}[C@@H](O){1}C(O)=O SMILES Cc1cc(C)n{2}c(O)n1 SMILES {5}NCCCCC{1}O SMILES C/C=C/C=C/{7}C(O)C/C=C/C=C/{1}C(=O)O SMILES O{4}C1={3}C{2}C(O)=C({7}C(O)=O)C(CC/C=C/C=C/CCC)=C1 SMILES C/C=C/{1}C(O)=O SMILES C/C=C\C=C\{1}C(=O)O SMILES CC(C)CCCCC[C@@H](O)C{1}C(O)=O SMILES C({1}O)(N)=O SMILES O={1}C(O)CCCCCCCC{10}C(=O)O SMILES CC(C)({1}[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O)C SMILES C[C@@H](O1){4}[C@@H](O)CC{1}C1
Subst2	*	113	34	@Subst2	alias: another substituent
linker uracil-5-carboxylic acid 5-hydroxymethyluracil thymine uracil 25-hydroxy-hexacosanoic acid < untitled 0 > < untitled 1 > 3S-hydroxy-L-asparagine 5-(hydroxymethyl)benzene-1,3-diol carbamic acid methyl ester isolauric acid < untitled 2 > < untitled 3 > (2S,3S,4R)-2-carbamoyl-3-hydroxy-4-methoxy-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid 15-hydroxypentadecanoic acid 2,4,6,8-tetramethylhexacosanoic acid 2-(p-tolyl)ethylamine 2R,17S,18R,22R-tetrahydroxyhexacosanoic acid 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoic acid 3,5-dihydroxybenzyl alcohol 6-deoxy-HexN biotin heptylamine, 1-aminoheptane isononanoic acid (iso-9:0) < untitled 4 > < untitled 5 >			42 12 8 8 8 3 3 3 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1	SMILES O=C(O)c1c{1}[nH]c(=O)[nH]c1=O SMILES O=c1{1}[nH]cc(CO)c(=O)[nH]1 SMILES Cc1c{1}[nH]c(=O)[nH]c1=O SMILES O=c1{5}cc{1}[nH]c(=O)[nH]1 SMILES C{25}C(O)CCCCCCCCCCCCCCCCCCCCCCC{1}C(O)=O SMILES CCc1c(Cl)c(O)c(Cl)c(O)c1{1}C(=O)O SMILES O{1}C(CCCC[C@H]1[C@]([H])([C@]([H])(CS1)N2)NC2=O)=O SMILES N{2}[C@H]({1}C(=O)O){3}[C@H](O)C(=O)O SMILES O{1}C1=C{3}C(O)=CC({7}CO)={6}C1 SMILES CO{1}C(N)=O SMILES CC(C)CCCCCCCC{1}C(=O)O SMILES C=C(C/C=C(C)/CC/C=C(C)\C)CCC(C)(C)/C=C/CC/C(C)=C\{1}CO SMILES {1}c1[nH]c(C[C@H]([N+](C)(C)C)C(O)=O)cn1 SMILES O=C([C@]([C@](C)(O)[C@H]1OC)({6}C(N)=O)N(C)C1=O)O SMILES O={1}C(O)CCCCCCCCCCCCC{15}CO SMILES CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C){1}C(=O)O SMILES Cc1ccc(C{1}CN)cc1 SMILES CCCC{22}[C@@H](O)CCC{18}[C@@H](O){17}[C@@H](O)CCCCCCCCCCCCCC{2}[C@@H](O){1}C(=O)O SMILES CCc1c(Cl)c(O)c(Cl)c(O)c1{7}C(=O)O SMILES OCc1{7}cc(O)cc(O){2}c1 SMILES O{1}C(CCCC[C@H]1[C@]([H])([C@]([H])(CS1)N2)NC2=O)=O SMILES CCCCCC{1}CN SMILES CC(C)CCCCC{1}C(O)=O SMILES CN1C(=O)C[C@@](C)(O)C1({6}C(N)=O)C(=O)O SMILES C[C@@H](c1ccccc1){2}[C@H](N){1}C(=O)O
Subst3	*	12	3	@Subst3	alias: another substituent
4-hydroxyphenyl-glycine 2-(4-fluorophenyl)ethanamine < untitled 0 >			2 1 1	SMILES N{2}C({1}C(=O)O)c1cc{6}c(O)cc1 SMILES N{1}CCc1ccc(F)cc1 SMILES CN1C(=O){3}[C@H](O)[C@@](C)(O)C1({6}C(N)=O)C(=O)O
Subst4	*	3	2	@Subst4	alias: another substituent
3-chloro-4-hydroxyphenyl-L-glycine < untitled 0 >			2 1	SMILES N{2}[C@H]({1}C(=O)O)c1ccc(O)c(Cl)c1 SMILES CN1C(=O){3}[C@H](O)[C@@](C)(O)C1{6}C(N)=O
Subst5	*	0	0	@Subst5	alias: another substituent
no alias variants are populated
Subst	*	3122	1452	@Subst	alias: another substituent
2-aminobenzamide 2-aminopyridine adenine O-methyl phosphamide (OHPO(NH2)OMe) 20R,24S-epoxy-9,19-cyclolanostane-3β,6α,16β,25-tetrol, astramembrangenin, cycloastragenol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C3)C43CC[C@]5(C)[C@@H]([C@](C)(O6)CC[C@H]6{25}C(C)(O)C){16}[C@@H](O)C[C@](C)5[C@]4([H])C{6}[C@H](O)[C@@]12[H] sordaricin phloretin protein ginsenoside Rh2(R) aglycon 2-methylbut-3-en-2-ol cholesterol < untitled 0 > 3,5-dihydroxydecanoic acid 2,4,6,8,10,12,14,16,18-nonamethyl-5,9,13-trihydroxy-2E,6E,10E-icosatrienoic acid (4E,8E)-2-amino-9-methyloctadeca-4,8-diene-1,3,7-triol 2-heptyl-4,6-dihydroxybenzoic acid Ac or O-linked Cm β-sitosterol cotylenol isopimara-7,15-diene-2α,3β,19-triol isopimara-7,15-diene-3β,19-diol 3-aminopropanol ergosterol propanolamine rogerson aglycon (S,E)-6,7,8-trihydroxy-3-(pent-3-en-1-yl)isochroman-1-one emodin paulic acid polypeptide α-1,6-mannan backbone (3S,4aR,5aS,6S,9R,9aR,11bR)-9-((1S)-1-(3-((2R)-4-hydroxy-3-methylbutan-2-yl)oxiran-2-yl)ethyl)-9a,11b-dimethyl-1,2,3,4,5a,6,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol caloporoside aglycon egonol flavonol naringenin luteolin mycosporine 4-methylumbelliferone, hymecromone daidzein O-antigen (ID 11994) OPS linker hypoxanthine (2R,3S,4E,8E)-9-methyl-4,8-sphingadienine-C18 genistein HT2 toxin N-methyl-4-propyl-L-proline (R)-3-aminobutyric acid (Z)-N-hydroxybut-3-enimidothioic acid 16-hydroxyisopimar-7-en-19-oic acid 2-methyl-hypoxanthine 3-oxo-isopimara-7(8),15-diene-19-ol 34-carboxyl-bacteriohopane-32,33-diol epipyrone aglycon pinoresinol purine < untitled 1 > unidentified C4H8N5 zearalenone (2E,4E,12E)-7-hydroxy-8,14-dimethylhexadeca-2,4,12-trienoic acid 17-hydroxy-ricinoleic acid 17-hydroxyoctadec-9E-enoic acid 2,2-dihydroxypropane 6,8-dihydroxy-3-hydroxymethylisocoumarin biotin-PEG6-amine cytogenin eriodictyol F-16438 A aglycon heptane-1,2,3,4,5,6,7-heptol phialotide A, B, C, D aglycon repeating units of teichoic acid (IDs 12361-12363) virescenoside V, Z14 aglycon (2S,3R,4E,8E)-4-hydroxy-9-methyl-4,8-sphingadienine-C18, (4E,8E)-2-amino-4-hydroxy-9-methyloctadeca-4,8-diene-1,3-diol 2-methylbenzene-1,4-diol 2S-hydroxysebasic acid, 2S-hydroxydecanedioic acid ascosteroside C aglycon (2R,3S,4E)-4-sphingenine-C18 3,4'-dihydroxyflavone 4'-hydroxy-6-methylflavone 4,15'-dihydroxyfarnesyltoluquinol 4-imino-1,4-dihydro-3-pyridinecarboxylic acid 6-hydroxyflavone 6-hydroxypurine 7,8-dihydroxy-5-(hydroxymethyl)-2-phenylchroman-4-one 7-hydroxyflavone 7-oxoisopimara-8(9),15-diene-3β,19β-diol 8-hydroxy-6-methylflavone citronellal corynomycolic acid ECA (ID 32158) erinacine A aglycon mogrol O-antigen phenylacetic acid phialotide F, G, H aglycon R-(-)-mellein resveratrol tetradecane-1,13-diol (22E,24R)-5α,8α-epidioxyergosta-6,22-diene-3β-ol (2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C21 (2S,3R,5E,9Z)-5,9-sphingadienine-C19 (2Z,3E,5E,7E,9E,11E,13E)-14-(3,4-dihydroxy-2-oxo-2H-pyran-6-yl)-2-(4,6-dimethyloctylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid (2Z,3Z,5E,7E,9E,11E,13E)-14-(3,4-dihydroxy-2-oxo-2H-pyran-6-yl)-2-(4,6-dimethyloctylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid (E)-6,7,8-trihydroxy-3-(pent-3-en-1-yl)-1H-isochromen-1-one (S,E)-5,6,8-trihydroxy-3-(pent-3-en-1-yl)isochroman-1-one (S,E)-6,8-dihydroxy-3-(pent-3-en-1-yl)isochroman-1-one 15-((tert-butyldiphenylsilyl)oxy)pentadecanoic acid 16-hydroxynorisopimar-7-en-4-ol 2,4-dihydroxy-6-pentadecanoylbenzoic acid 2-hydroxyoleic acid 3-phenylpropanoic acid 9-decen-1-ol cerebronic acid deoxyneofusapyrone aglycon dimerumic acid epicoccamide A, B, C aglycon fusapyrone aglycon nicotinic acid nicotinic acid (N-linked) oleandolide oxalic acid piceol < untitled 2 > teichoic acid (ID 12057) tyrosol xanthohumol (1R,7S)-1,7-dihydroxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid (R)-6,7,8-trihydroxy-3-((1E,3E)-penta-1,3-dien-1-yl)isochroman-1-one (R)-6,8-dihydroxy-3-((1E,3E)-penta-1,3-dien-1-yl)isochroman-1-one 11-chloroarcyriaflavin A 2'-hydroxyflavone 2,4-dihydroxyphenol 2-hydroxyoctadeca-6,10-dienoic acid 2R-hydroxy-tetracos-17Z-enoic acid 2S,17,18S,22R-tetrahydroxyhexacosanoic acid 2S-hydroxyadipic acid, 2S-hydroxyhexanedioic acid 3',4'-dihydroxyflavone 3,6-diisopropylpyrazine-2,5-diol 3,7-dioxo-isopimara-8(14),15-diene-19-ol 3,7-dioxo-isopimara-8(9),15-diene-19-ol 3-oxo-isopimara-8(14),15-diene-7α,19-diol 4'-hydroxyflavone 4-(2-hydroxyethyl)-resorcinol 4-(3-hydroxy-5-methylphenoxy)-5-methylbenzene-1,3-diol 5,4'-dihydroxyflavone 6,3',4'-trihydroxyflavanone 6,4'-dihydroxyflavanone 6,8-dihydroxy-3-methylisocoumarin acremonin A akanthopyrone A aglycon akanthopyrone B aglycon akanthopyrone C aglycon akanthopyrone D aglycon alternariol arcyriaflavin A arm-biotin branched arabinan burnettramic acid A aglycon carnemycin A, B, C aglycon citral colletobredin aglycon dermocybin diorcinol dolichol flavaprenin fusicoccin Q aglycon galactomannan honokiol imperialine malfilamentoside A aglycon malvidin-4-vinylcatechol naphtalene-1,6-diol naphthalene-1,8-diol oxidized xylose deuterated derivative protein (VSG) pyridin-1-ium-3-carboxamide sandaracopimara-8(14),15-diene-3β,7α,19-triol < untitled 3 > sporuloside aglycon stillingic acid taurine trichobrasilenol unspecified moiety uracil virescenoside M aglycon virescenoside N aglycon virescenoside W aglycon virescenoside X aglycon virescenoside Z11, Z15 aglycon virescenoside Z12, Z18 aglycon virescenoside Z13, Z17 aglycon (+)-corynomycolic acid (20L,25R)-spirost-5-ene-3β-ol (20R,25R)-spirost-5-ene-3β-ol (2S,3R,4E,8E)-2-amino-9-methylicosa-4,8-diene-1,3-diol (3R)-6,7-dihydroxy-8-methoxy-3-methylisochroman (4E,8Z)-2-aminononadeca-4,8-diene-1,3-diol (4Z,8E)-2-amino-9-methylnonadeca-4,8-diene-1,3,4-triol (E)-3-(4-hydroxyphenyl)acrylic acid, trans-p-coumaric acid 2,3-butanediol 2-(hydroxymethyl)-6-(3-methylbut-2-en-1-yl)-3-propylphenol 2-hydroxy-21-methyltricosanoic acid 25R-furost-5-en-3β,22α,26-triol 3,5,7-trihydroxy-coumarin 3,7β-dihydroxy-18β-glycyrrhetinic acid 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid aspergillusene A biotin brassicasterol chrysin djalonensone dodecan-2S-ol ent-16β-hydroxybeyeran-19-oic acid erinacine B aglycon erinacine C aglycon erinacine Q aglycon fomitoside H, I aglycon fomitoside K aglycon isoxanthohumol lumichrome metacrylic acid N-methyl-L-proline neosolaniol pinocembrin propane-2,2-diol scirpenol < untitled 4 > < untitled 5 > < untitled 6 > < untitled 7 > stemphol tetradecan-2-ol tetradecane-2,13-diol urdamycinone E aglycon virgineone aglycon α-mycolic acid (+)-taxifolin (2-hydroxyethyl)trimethylammonium (2-methoxy-6-vinylphenyl)methanol (22E)-ergosta-7,22-diene-3β,5α,6β-triol (22E,24R)-5α,8α-epidioxyergosta-6,9,22-triene-3β-ol (2E,4E,6E)-8-hydroxydeca-2,4,6-trienoic acid (2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoic acid (2S,3R,4E)-8-hydroxy-9-methylene-4-sphingenine-C18 (2S,3R,4E,7E)-2-amino-9-methyloctadeca-4,7-diene-1,3,9-triol (2S,3R,4E,8E)-2-amino-9-methyldocosa-4,8-diene-1,3-diol (2S,3R,4E,8E)-2-amino-9-methylpentadeca-4,8-diene-1,3-diol (2S,3R,E)-2-amino-9-methyloctadec-4-ene-1,3,8-triol (2S,3S,4E)-8-oxo-9-methylene-4-sphingenine C18 (2S,3S,4E,9E)-10-methyl-4,9-sphingadienine-C19 (2S,3S,4E,9E)-2-amino-10-methyloctadeca-4,9-diene-1,3-diol (2S,4E,8E)-4,8-sphingadienine-C18 (2S,4E,8Z)-4,8-sphingadienine-C18 (2S,5S,10R)-2-((S)-1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one (3,6-dimethyl-2-(4-methylpent-3-en-1-yl)phenyl)methanol (3S,11E,13E)-5-acetyl-6,8-dihydroxy-3-(oxopentadienyl)isochroman-1-one (E)-2-methyl-3-((2R,2'S,3S,3'S)-3'-methyl-[2,2'-bioxiran]-3-yl)acrylic acid (R)-3-hydroxy-undecanoic acid (S)-1,1-dimethyl-2,3-dihydro-1H-indene-2,4,7-triol (S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,4-dihydro-6,8-dihydroxy-5-methyl-1H-2-benzopyran-1-one (S)-4-hydroxy-6-((S)-1-hydroxypentyl)-5,6-dihydro-2H-pyran-2-one (Z)-6-hydroxyaurone 1,2-dehydrovirgineone aglycon 1,5-deutero-2-amino-4,6-dideoxy-hexitol 1,8-dihydroxynaphtalene, 8-hydroxy-1-naphtol 1-((1,3-dihydroxypropan-2-yl)oxy)propane-1,2,3-triol 16-hydroxyisopimar-6,8(14)-dien-19-oic acid 16-O-demethyl 3-epifusicoccin J aglycon 18-hydroxylinoleic acid 19-hydroxyisopimara-7,15-dien-3-one 2',5'-dihydroxyflavanone 2'-hydroxyflavanol 2,2-dimethyl-3-oxoicosa-4E,11E,13E,18E-tetraenoic acid 2,3-dihydroxy-undec-4-enoic acid 2,4,5-trimethylresorcinol 2,4-dihydroxybenzophenone 2,5,6-trimethylresorcinol 2,5-dimethylresorcinol 2,6-naphthalenediol 2-(2-hydroxyphenyl)-ethanol 2-(2-hydroxyphenyl)acetic acid 2-amino-3-hydroxycyclopent-2-enon 2-amino-6-methyldec-6-en-1-ol 2-chloroadenine 2-deoxystreptamine 2-octyl-4,6-dihydroxybenzoic acid 2-phenyl-4-hydroxy-6-methylchromane 22-dihydroergosterol 2E,4E-decadienoic acid 2R,3-dihydroxy-tetracos-17Z-enoic acid 2S,16R,17S,21R-tetrahydroxyhexacosanoic acid 2S-hydroxysuberic acid, 2S-hydroxyoctanedioic acid 3'-hydroxyflavanol 3,15,16-trihydroxyhexadecanoic acid 3,15α-dihydroxy-18β-glycyrrhetinic acid 3,4-dehydro-6-hydroxymellein 3,4-dihydroxybenzaldehyde 3,5,7-trihydroxychromone 3,5-dichlorobenzene-1,2-diol 3,5-dihydroxy-2-methyldecanoic acid (desmamide C) 3,7,11,15-tetrahydroxy-2,4,6,8,10,12,14,16,18,20-decamethyldocosa-4E,8E,12E-trienoic acid 3-aminobutyric acid 3-hydroxy-26-oxo-kijanolide 3-methoxy-8-methylnaphthalene-1,2-diol 4',5'-dihydro-4'-hydroxyascochlorin 4'-hydroxy-6-methylflavanone 4'-hydroxyflavanone 4-(2-methylbut-3-en-2-yl)benzene-1,3-diol 4-(hydroxymethyl)-2,5,6-trimethylbenzene-1,3-diol 4-hydroxy-15′-carboxylfarnesyltoluquinol 4-hydroxybenzyl alcohol, 4-hydroxymethylphenol 5,6,8-trihydroxy-3-methylisocoumarin 5-hydroxy-2-decenoic acid 5α,8α-epidioxy-24(R)-methylcholesta-6,22-dien 6,3',4'-trihydroxyflavone 6,3'-dihydroxyflavanone 6,3'-dihydroxyflavone 6,4'-dihydroxyflavone 6,8-dihydroxy-3-(hydroxymethyl)isochromen-1-one 6-hydroxyflavanone 7-hydroxy-4-methylcoumarin 7-hydroxy-5-methoxy-4,6-dimethylphthalide 7-hydroxy-8,14-dimethylhexadeca-2E,4E,8E,10E-tetraenoic acid 7-methylocta-2Z,4E-dienoic acid 9-dehydroxyeurotinone a-pyrrolidinose form of Pse5Ac7NR3HOBut acrylic acid Am,1-cyclo-D-ManaN3NAmA aquayamycin-type angucycline baicalein burnettramic acid C aglycon burnettramic acid D aglycon burnettramic acid E aglycon C/C({11}CO)=C/1CC(C)(C)C[C@@H]2[C@H](C)CC[C@@H]12 carnemycin H aglycon caryan (ID 12525) chrysopanol cichorigenin cladosporin colletotrichamide A aglycon colletotrichamide B aglycon colletotrichamide C aglycon colletotrichamide D aglycon colletotrichamide E aglycon cotylenol epimer curcumin C[C@]3(C{16}CO)CC[C@H]1/C(=C\C[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C)C3 deca-4,6,8-triyne-1-ol desmethylasporyergosterol desmethylasporyergosteron di(2-hydroxyethyl)amine dongtingnoid A aglycon dongtingnoid B aglycon dongtingnoid C aglycon dongtingnoid D aglycon dongtingnoid E aglycon enfumafungin aglycon epifusicoccin H aglycon erinacine D aglycon erinacine H aglycon erinacine K aglycon eurobenzophenone C fisetin fomitoside E aglycon formononetin fridamycin E fusicoccin F aglycon O{18}C[C@]1(CC[C@]2([H])/C1=C\[C@]3({12}[C@@H](O)CC([C@]({16}CO)([H])C)=C3{9}[C@H]({8}[C@@H]([C@@H]2C)O)O)C)[H] fusicoccin H aglycon fusicoccin S aglycon geraniol gliocladinin C aglycon glucan moiety gotjawaside aglycon H or O-methylphosphamide halorosellin B aglycon hydroquinone TIIA hypoxyloside G aglycon indigotide A aglycon indigotide G, H aglycon inner core isobutanol isorhamnetin L-erythronic acid 1,4-lactone L-threonic acid 1,4-lactone macrosporin magnolol malvidin mericeramide A aglycon mericeramide B aglycon morusin mutilin myrothecoside aglycon N-(2-hydroxybenzyl)acetamide N-(2-hydroxyphenyl)-2-hydroxyacetamide N-(2-hydroxyphenyl)acetamide N-(3,4-dihydroxyphenyl)acetamide neoruscogenin norlichexanthone O-antigen (ID 11140) O-antigen (ID 11143) O-antigen (ID 11269) O-antigen (ID 11901) O-antigen (ID 12090) O-antigen (ID 12092) O-antigen (ID 30648) O-antigen ID 11706 O-antigen ID 11708, 11710 octadec-9E-ene-1,18-diol octadecane-1,2-diol orthosporin peptide phenylethanol phialotide E aglycon questin resorcinoside A aglycon rubrofusarin Saccharomyces glycoprotein scyllo-quercitol (1-deoxy-scyllo-inositol) < untitled 8 > < untitled 9 > < untitled 10 > < untitled 11 > < untitled 12 > < untitled 13 > solasodine sordarin C aglycon sordarin E aglycon sporormielloside aglycon sporulositol A aglycon sporulositol B aglycon sporulositol C aglycon sporulositol D aglycon stigmasterol teichulosonic acid (ID 11779) unidentified 12-hydroxytridecenoic acid urdamycinone B aglycon vibo-quercitol (1-deoxy-myo-inositol) virescenoside R1 aglycon virescenoside R3 aglycon virescenoside R4 aglycon virescenoside Z10 aglycon virescenoside Z16 aglycon virescenoside Z5 aglycon virescenoside Z6 aglycon virescenoside Z7 aglycon virescenoside Z8 aglycon virescenoside Z9 aglycon xylapapuside B aglycon (+)-abscisic acid (10E,12Z)-carnemycin B aglycon (10Z,12E)-carnemycin B aglycon (1S,3S)-1,3,5,8-tetrahydroxy-6-methoxy-3-methyl-1,2,3,4,4a,9a-hexahydroanthracene-9,10-dione (1S,3S)-1,3,8-trihydroxy-6-methoxy-3-methyl-1,2,3,4,4a,9a-hexahydroanthracene-9,10-dione (20S,25R)-furosta-5,22-diene-3β,21α,26-triol (2R,3E)-2-hydroxy-3-decenoic acid (2R,3R,4Z,8E)-2-amino-9-methyloctadeca-4,8-diene-1,3,4-triol (2R,4R)-2,4-dihydroxypentanoic acid 1,4-lactone (2S) or (2R) O-methylphosphamide (2S)-2,3-dihydroxy-3,3-diphenylpropanoic acid (2S,3R,4E,8E)-2-amino-9-methylheptadeca-4,8-diene-1,3-diol (2S,3R,4E,8E,10E)-9-methyl-4,8,10-sphingatrienine-C18 (2S,3R,4E,8E,10E)-9-methyl-4,8,10-sphingatrienine-C22 (2S,3R,4E,8Z,10E)-2-amino-9-methyloctadeca-4,8,10-triene-1,3-diol (2S,3S)-3-hydroxy-1,3-dimethyl-5-oxopyrrolidine-2-carboxamide (2S,3S,4E,8E)-9-methyl-4,8-sphingadienine-C19 (2S,3S,4E,8E,10E)-9-methyl-4,8,10-sphingatrienine-C19 (2S,4E,8E)-9-methyl-4,8-sphingadienine-C18 (2S,4R)-2,4-dihydroxypentanoic acid 1,4-lactone (2S,4S)-N-(1-carboxyethyl)alanine (2S,5S,10R)-2-((R)-1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one (2S,7E)-7-sphingenine-C16 (2Z,3Z,5E,7E,9E,11E,13E)-14-(4-hydroxy-2-oxo-2H-pyran-6-yl)-2-(4,6-dimethyloctylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid (4E,8E)-2-amino-9-methyloctadeca-4,8-diene-1,3,6-triol (8R,9R,10S,13R,14S,16R,17R)-17-((R,E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (8S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one (E)-2-ethylbut-2-enoic acid (E,E)-farnesol (R)-6,8-dihydroxy-3-(((2R,6S)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-3,4-dihydronaphthalen-1(2H)-one (R,Z)-5-(N,5-dihydroxy-3-methylpent-2-enamido)-2-(dimethylamino)pentanoic acid (S)-3-hydroxyundecanoic acid (S)-torosachrysone (Z)-4,6-dihydroxy-7-methoxy-2-(4-methoxybenzylidene)benzofuran-3(2H)-one -3,4)aDGlcp(1- moiety 1,11-dichloroarcyriaflavin A 1,2,5-trihydroxy-6-hydroxymethylanthraquinone 1,4,5-trihydroxy-2-methoxyanthracene-9,10-dione 1,4-dihydroxy-2-methoxyanthracene-9,10-dione 1,5-deutero-2-amino-4,6-dideoxy-xylohexol 1,6-dihydroxyhexane-2,5-dione 1-hydroxy-3-methoxyanthracene-9,10-dione 1-hydroxyversicolorin B 1-tetradecanol 10-hydroxyundecanoic acid 10R-hydroxystearic acid 11-hydroxyoctadeca-7E,9E-dienoic acid 12',13'-trans-14',15'-dihydrobacillaene B aglycon 12-hydroxytrichobrasilenol 12β-hydroxyisorhodeasapogenin 14-hydroxy-pentadecatrienoic acid (position of double bonds is unknown) 14R-hydroxypalmitic acid 15,16-dihydroxyisopimar-7-en-19-oic acid 1α-hydroxy-ent-13-epi-manoyl oxide 2',3-dihydroxy-5'-methylchalcone 2,2-dihydroxyacetic acid 2,2-dimethylchromen-6-ol 2,3,4-trihydroxybutanoic acid 2,3-butandiol 2,4,6,8,10,12,14,16-octamethyl-17-hydroxytetratriacontanoic acid 2,4,6-trihydroxyacetophenone 2,4-dihydroxy-5-chloro-6-propyl-phenol 2,4-dihydroxy-5-chloro-6-propylphenol 2,4-dihydroxy-6-pentylbenzoic acid 2,4-dihydroxy-6-propylbenzoic acid 2,6-dihydroxy-4-(3-hydroxy-5-methylphenoxy)benzoic acid 2-(4-(hydroxymethyl)-1,3-dioxolan-2-yl)propane-1,3-diol 2-amino-2-deoxy-2-C-methyl-pentonic acid (2-amino-2-methyl-3,4,5-trihydroxypentanoic acid) 2-nonyl-4,6-dihydroxybenzoic acid 2-oxindole-3-acetic acid 2-phenylethanamine 2-sulfomalonic acid 21β-hydroxyursolic acid 22,23-dihydroxyergosta-4,6,8(14)-trien-3-one 22E,24R-3-hydroxy-24-methylcholesta-5,22-diene 23-amino-tetracosane-2,3,22-triol 2R,17R,18R,22R-tetrahydroxyhexacosanoic acid 2R-hydroxy-heptadec-3E-enoic acid 2R-hydroxy-icos-3E-enoic acid 2R-hydroxynonadecanoic acid 2R-hydroxytrideca-3E,5E,7E,9E-tetraenoic acid 2S-hydroxysebacic acid, 2S-hydroxydecanedioic acid 3',4'-dihydroxy-6-hydroxymethylflavanone 3',4'-dihydroxy-6-methylflavanone 3'-hydroxy-6-hydroxymethylflavanone 3,4-dihydroxybenzoic acid, protocatehuic acid 3,5-dihydroxycinnamic acid 3,6,2'-trihydroxyflavonol 3,6-diphenylbenzene-1,2,4-triol 3-(3,3-dichloro-2-hydroxypropyl)-6-methoxy-8-hydroxy-1H-2-benzopyran-1-one 3-(hydroxymethyl)-2-pentylphenol 3-(methylthio)propanoic acid 3-aminopropan-1-ol 3-dihydroalisol A 3-heptyl-5-hydroxyphenyl 6-heptyl-2,6-dihydroxybenzoate 3-hydroxy propanoic acid 3-hydroxy-1,4-dimethoxy-9H-xanthen-9-one 3-hydroxy-13E-eicosenoic acid 3-hydroxy-5-methyl phenol 3-methyl-acetobenzene-2,4-diol 3-methylnaphthalene-1,6,8-triol 3α-hydroxy-(Z)-24-methyl-5α-lanosta-8,23,25-trien-21-oic acid 3α-hydroxy-5α-lanosta-8,24-dien-21-oic acid 3β,23-dihydroxyolean-12-en-28-oic acid 3β,7β,15α-trihydroxyolean-12-en-28-oic acid 3β,7β,15β-trihydroxy-4,4,14-trimethyl-pregn-8-ene-11,20-dione 3β-hydroxy-olean-12-ene-23,28,30-trioic acid 3′-azido-3′-deoxythymidine 4'-hydroxy-6-hydroxymethylflavanone 4,5,6-trihydroxy-2-methoxyhexanoic acid 4,8,12,16,20-pentamethyltricosanol 4-aminobutyric acid 4-Bromobenzyl alcohol 4-Chlorobenzyl alcohol 4-hydroxymethylcatechol 4-hydroxyphenazine-1-carboxylic acid 4-methylresorcinol 5,6,8-trihydroxy-2,7-dimethyl-4H-chromen-4-one 5,6-dihydroxymellein 5,7-dihydroxy-2,6-dimethyl-4H-chromen-4-one 5,7-dihydroxy-2,8-dimethyl-4H-chromen-4-one 5,7-dihydroxy-2-methylchroman-4-one 5,7-dihydroxy-2-propylchromone 5,8-tetradecadienoic acid 5-(hydroxymethyl)benzene-1,3-diol 5-chloro-6-hydroxymellein 5-ethyl-2-methylbenzene-1,3-diol 5-heptylresorcinol 5-hydroxy-9,10-dioxo-9,10-dihydroanthracene-1,3-dicarboxylic acid 5-hydroxymethyluracil 5-hydroxypentanoic acid 5-hydroxyurdamycin B aglycon 5-methoxy-6,8-dihydroxy-3-methylisochromen-1-one 5α-lanosta-8,24-diene-3α,21-diol 6-chloro-1H-indole-3-carboxylic acid 6-demethylsterigmatocystin 6-hydroxymusizin 6-prenylapigenin 7-desmethyldeoxyneofusapyrone aglycon 7-hydroxycoumarin 7-methyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1,4a,5,7(1H)-tetraol 8-aminooctanol 8-hydroxydeca-2E,4Z-dienoic acid 8-methoxynaphthalene-1,6-diol 8-prenylapigenin 9-methoxycarbonylnonyl alaninol alisol F alisol G alizarin asperalacid E aglycon asperflavin asperfuran Aspergillus glycoprotein auxarthonoside aglycon batatasin III beauverichelin A aglycon brasilane E aglycon burnettramic acid B aglycon but-3-enohydroximol calcitriol campesterol carnemycin D aglycon carnemycin E aglycon carnemycin F aglycon carnemycin G aglycon CDHOH-CH(NH2)-CHOH-CH2-CDOH-CH3 cell wall mannan chartarlactam D aglycon chromane moiety cordyol C dactylfungin A aglycon dactylfungin B aglycon debenzoylpaeoniflorigenin deca-2E,4E,6E-trienoic acid decarboxyhydroxycitrinone delphinidin denthyrsinin dermochrysone digoxigenin diplopimarane dodec-2E-enoic acid dodecan-2-ol dodecane-1,11S-diol dunnianoside B aglycon ECA (ID 11055) elaeicolaside A aglycon epicoccamide D aglycon erinacine P aglycon erinacine R aglycon fomitoside C aglycon fulicinerine fumigatoside B aglycon fumigatoside C aglycon fumigatoside D aglycon fumihopaside A aglycon fumihopaside B aglycon ganosinoside A aglycon gigantol gliocladinin D aglycon glycyrrhetinic acid glyscavin A aglycon glyscavin B aglycon glyscavin C H, sugar residue or OS unit halosmysin C aglycon hebevinoside aglycon heptadec-8E-ene-2,16-diol heptadec-9E-ene-1,16-diol hexadec-7Z-enoic acid hexadecane-1,15-diol hexadecane-1,16-diol hexadecanol hormodin hymatoxin K aglycon hymatoxin L aglycon hypomonticuside aglycon hypoxyloside A aglycon hypoxyloside B aglycon hypoxyloside C aglycon hypoxyloside D aglycon hypoxyloside E aglycon hypoxyloside F aglycon indigotide B aglycon indole-3-acetic acid iso-2-hydroxyundecanoic acid (iso-11:0 (2-OH)) isoangustone A isocoumarin moiety isotorachrysone juglanthraquinone A krasilnikolide A aglycon kurarinone L-leucinol lactyl-peptide machaerinic acid macrolactin A mannan backbone polysaccharide (ID 12034) mannan core matairesinol methoxycarbonyldiorcinol methylacetophenone morin mycophenolic acid myrotheside C aglycon myrotheside D aglycon N-(2-hydroxyethyl)-2-aminoethylphosphonic acid N-(diaminomethylidene)formamide naphtalene-1,8-diol nerolidol nidurufin nigakinone nigrosphaerin A aglycon nitrile O-polysaccharide octa-2E,4E,6E-trienoic acid oleanolic acid ophioglonin orbiocrellin A aglycon pelargonidin penostatin F penostatin I pentadecan-7-ol pestalotioquinoside A aglycon pestalotioquinoside B aglycon pestalotioquinoside C aglycon phenolphtiocerol phlorobutyrophenone pinicolic acid C pityriacitrin D aglycon porphyra-334 protein CSP, MSP-1 to MSP-10 protobioside aglycon puniceusine O aglycon R-(-)-5-hydroxymellein R-(−)-3,4-dihydro-3-methyl-5,8-dihydroxy-1H-2-benzopyran1-one raffinose aldehyde in hydrate form regiolone repeat unit of EPS (ID 12344) repeating units of teichoic acid (IDs 12356-12359) resorcinoside V aglycon Rh4 aglycon S39163/F–I aglycon scillarenin A silybin A silybin B < untitled 14 > < untitled 15 > < untitled 16 > < untitled 17 > < untitled 18 > < untitled 19 > < untitled 20 > < untitled 21 > < untitled 22 > < untitled 23 > < untitled 24 > < untitled 25 > < untitled 26 > < untitled 27 > < untitled 28 > < untitled 29 > < untitled 30 > < untitled 31 > < untitled 32 > < untitled 33 > < untitled 34 > < untitled 35 > < untitled 36 > < untitled 37 > < untitled 38 > < untitled 39 > solamargine aglycon sordarin D aglycon sordarin F aglycon sphinga-4E,8E-dienine spirosta-5,20-diene-3β-ol stigma-5-ene-3β-ol strophanthidin teichoic acid (ID 12445) teichoic acid (ID 12447) teichoic acid (ID 12449) teichoic acid (ID 12451) teichulosonic acid (ID 11774) tenellin terezine L aglycon tetrabromobisphenol A tetradecane-1,14-diol torosachrysone trachyloban-19-oic acid tribromobisphenol A trichaspside C aglycon trichaspside D aglycon trichoacorside A aglycon trichosordarin A aglycon urdamycin A aglycon urdamycinone A aglycon urdamycinone E aglycon SMILES O=C1C2=C(C=C(SC)[C@@](C[C@](O)(C)C3)(O){12}[C@]2(O)C3=O)C(C4=C(O){9}C=CC=C41)=O vanillic acid versicolorin B water elimination product of the aldehyde xanthorin xylarioxide B aglycon xylarioxide D aglycon xylarioxide E aglycon xylarioxide F aglycon YM-202204 aglycon α-D-5-deoxy-5-methylthio-xylofuranose ω-hydroxyxanthorin			253 78 74 66 44 38 36 33 32 28 28 27 26 25 19 19 18 18 17 17 17 16 16 16 16 15 15 15 15 15 14 14 14 14 14 13 13 12 12 12 12 11 10 10 10 10 9 9 9 9 9 9 9 9 9 9 9 9 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1	SMILES C1=CC={2}C(C(=C1)C(=O)N)N SMILES N{2}c1ccccn1 SMILES Nc1ncnc2[nH]{9}cnc12 SMILES C1=NC2=NC=NC(={9}C2N1)N SMILES {1}OP(OC)(N)=O SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3({17}CO)[C@@H]4C[C@@]2(C=O)[C@@]3({13}C(O)=O)C(C(C)C)=C4 SMILES O=C(C1={6}C(C={4}C(C={2}C1O)O)O)CCC2=CC={54}C(O)C=C2 SMILES C/C(C)=C\CC{20}[C@](C)(O)C1CC[C@]4(C)C1{12}[C@H](O)CC3[C@@]2(C)CC{3}[C@H](O)[C@@](C)(C)C2CC[C@]34C SMILES C=C{2}C(C)(C)O SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC{3}[C@@H](C4)O)C)C SMILES C/C(=C\C[n+]2cnc1[nH]{5}cnc1c2N)CC[C@]3(C)[C@@H](C)C/C=C/4[C@H]3CCCC4(C)C SMILES CCCCC{5}C(O)C{3}C(O)C{1}C(O)=O SMILES CCCCC{5}[C@@H](O)C{3}[C@@H](O)C{1}C(=O)O SMILES CCCCC{5}C(O)CC(O)C{1}C(O)=O SMILES CC[C@H](C)C[C@H](C)C[C@H](C){13}[C@@H](O)[C@@H](C)/C=C(C)/{9}[C@@H](O)[C@@H](C)/C=C(C)/{5}[C@@H](O)[C@@H](C)/C=C(C)/{1}C(O)=O SMILES CCCCCCCCC/C(C)=C/{7}C(O)C/C=C/{3}C(O){2}C(N){1}CO SMILES O{6}C1={5}C{4}C(O)=CC(CCCCCCC)=C1{7}C(O)=O SMILES O{3}[C@H](C1)CC[C@@]2(C)C1=CC[C@]3([H])[C@@]2([H])CC[C@@]4(C)[C@]3([H])CC[C@]4([C@@H](C)CC[C@@H](CC)C(C)C)[H] SMILES COC{1}[C@@]1(O)CC[C@H]2/C1=C\[C@@]3(C)CCC(C(C)C)=C3{6}[C@@H](O){5}[C@H](O)[C@@H]2C SMILES C[C@@]1(CCC2[C@@](C)(C[C@@H](O)[C@@H]([C@@]3({19}CO)C)O)C3CC=C2C1)C=C SMILES C[C@](C1)(C=C)CCC2C1=CCC3[C@]2(C)CC{3}C(O)[C@]3(C){19}CO SMILES NCC{1}CO SMILES O{3}[C@@H]4C/C3=C/C=C1\[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@H](C)C(C)C)C)C)[C@@]3(C)CC4 SMILES O{1}CCCN SMILES CC[C@H](C)C[C@H](C)/C=C(C)/{13}[C@@H](O)[C@@H](C)/C=C(C)/{9}[C@@H](O)[C@@H](C)/C=C(C)/{5}[C@@H](O)[C@@H](C)/C=C(C)/{1}C(=O)O SMILES C/C=C/CC[C@H]1CC2=C(C(O1)=O){8}C(O)={7}C(O){6}C(O)=C2 SMILES O{1}C(C=C(C=C1C(C2=C3{8}C(O)=C{6}C(O)=C2)=O)C)=C1C3=O SMILES C/C=C(N=C=S)/{1}C(=O)O SMILES CC({28}CO)[C@@H](C)C1OC1[C@@H](C)[C@H]6CC/C5=C/4{7}[C@H](O)[C@@H]2O[C@@]23C{3}[C@@H](O)CC[C@]3(C)C4CC[C@@]56C SMILES C{23}[C@H](CCCCCCCCCCCCCCCC1=C({1}C(O)=O){3}C(O)=CC=C1)O SMILES COC1=C2C(=CC(=C1)CC{10}CO)C=C(O2)C3=CC4=C(C=C3)OCO4 SMILES O=C1{3}C(O)=C(OC2=C1C=CC=C2)C3=CC=CC=C3 SMILES O=C1CC(C2=CC={54}C(O)C=C2)OC3=C{7}C(O)={6}C{5}C(O)=C13 SMILES C1=C{54}C(={53}C(C=C1C2=CC(=O)C3={5}C({6}C={7}C({8}C=C3O2)O)O)O)O SMILES CO/C1={3}C(O)/CC(O)(CO)CC1=O SMILES CC1=CC(OC2=C1C=C{7}C(O)=C2)=O SMILES O=C1C(C2=CC={54}C(O)C=C2)=COC3=C1C=C{7}C(O)={8}C3 SMILES O=c1[nH]cnc2{9}[nH]cnc12 SMILES O=c1nc[nH]c2{9}[nH]cnc12 SMILES CCCCCCCCC/C(C)=C/CC/C=C/{3}[C@@H]({2}[C@@H]({1}CO)N)O SMILES O=C1C(C2=CC={54}C(O)C=C2)=COC3=C1{5}C(O)={6}C{7}C(O)={8}C3 SMILES CC1=C[C@@H]2[C@]([C@@]3(C){4}[C@H](O){3}[C@@H](O)[C@@H](O2)[C@@]34CO4)(COC(C)=O)C[C@@H]1OC(CC(C)C)=O SMILES CCC[C@@H]1C[C@@H]({1}C(=O)O)N(C)C1 SMILES C[C@H](CC(=O){1}O)N SMILES C{3}[C@@H](N)C{1}C(O)=O SMILES C=CC/C({1}S)=N/O SMILES C[C@]1({19}C(O)=O)CCC[C@@]2(C)[C@H]1CC=C3[C@@H]2CC[C@](C)(C{16}CO)C3 SMILES Cc2n{9}c1[nH]cnc1c(=O)[nH]2 SMILES C[C@@]1(CCC2[C@@](C)(CCC([C@@]3({19}CO)C)=O)C3CC=C2C1)C=C SMILES CC(CCC{32}(O){33}C(O){34}C(O)=O)C1C2CC[C@@]3(C)[C@]4(C)CCC5C(C)(C)CCC[C@]5(C)C4CCC3[C@@]2(C)CC1 SMILES CCC(CC(/C=C({28}C(O)=O)/C=C(/C=C/C=C/C=C/C=C/C=C/C1=C{4}C(O)={3}C(C(O1)=O))C)C)C SMILES 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CC(=O)NC(CSC(=S)NC({1}C(=O)O)C(C)SCC(NC(C)=O)C(=O)O)C(=O)O SMILES CC(C)CCCC/C=C/C=C\C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]9C(=O)N[C@H](c1ccc(O)cc1)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)N[C@H](c3ccc(O)cc3)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](C[C@@H]4C/N=C(N)\N4)C(=O)N[C@@H](c5cc{1}c(O)cc5)C(=O)N[C@H](CO)C(=O)N[C@@H](c6cc(Cl)c(O)c(Cl)c6)C(=O)NCC(=O)N[C@@H](C[C@@H]7C/N=C(N)\N7)C(=O)N[C@H](C)C(=O)N[C@@H](c8ccc(O)cc8)C(=O)O[C@@H]9C SMILES CC1=C(C(N[C@H](C(N[C@@H]([C@@H](O)[C@@H](C(N[C@H](C(NCCC2=N[C@@H](C3=NC(C(NCCCC/N=C(N)/N)=O)=CS3)CS2)=O)[C@H](O)C)=O)C)C)=O){1}[C@@H](O)C4=CN=CN4)=O)N=C([C@@H](NC[C@H](N)C(N)=O)CC(N)=O)N=C1N SMILES CC1COC({2}C(O)CO)O1 SMILES CC1SC(=S)NC1{1}C(=O)O SMILES CC3(C)O[C@H]2OC({1}CO)[C@@H]1OC(C)(C)O[C@@H]1[C@H]2O3 SMILES CC4(O)C(=O)c3c(O)c2c(=O)c1c{2}c(O)cc(O)c1c(=O)c2c(O)c3{7}C(O){8}C4O SMILES CC4(O)C(=O)c3cc2c(=O)c1c{2}c(O)cc(O)c1c(=O)c2c(O)c3{7}C(O){8}C4O SMILES CC4(O)C(O)c3cc2c(=O)c1c{2}c(O)cc(O)c1c(=O)c2c(O)c3{7}C(O){8}C4O SMILES CCC(CC(/C=C({11}[C@H](O)[C@H](/C=C([C@@H](O)[C@H](/C=C([C@H](O)[C@H](/C=C({1}C(O)=O)\C)C)\C)C)\C)C)\C)C)C SMILES CC[C@H]1/C=C(C)\[C@@H](O)C/C=C/C=C({3}CO)\C(=O)O[C@H]([C@@H](C)O)C/C=C(C)\C=C(C)/{12}[C@@H]1O SMILES CN1C(=O)C[C@@](C)(O)C1{6}C(N)=O SMILES C[C@@H]1C/C=C/C=C/C=C/C=C/{15}[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)C/C=C/C=C/C(=O)O1)C[C@H](O)[C@H]2C SMILES C[C@H]1/C=C\C=C/C=C\C=C/C=C\C=C/C=C\{19}[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@@H]1O)C[C@H](O)[C@H]2C(=O)O SMILES C[C@H]1/C=C\C=C/CC/C=C\C=C/C=C\C=C/{19}[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)CCC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@@H]1O)C[C@H](O)[C@H]2C(=O)O SMILES C[C@H]1CC[C@@H]({11}[C@](C)(O)CO2)[C@]31[C@H]2C=C(C)CC3 SMILES N=C1NCC([C@H](O){2}[C@@H](N){1}C(=O)O){5}N1 SMILES O1C(CO)COC1{2}C(O)CO SMILES O=C(O)C(CCC/N=C/2CC(O)({7}CO)C/C(NCCCC(N/C1={14}C(O)/C(=O)CC(O)(CO)C1)C(=O)O)={1}C2/O)N/C3={26}C(O)/C(=O)CC(O)(CO)C3 SMILES O=C1C(O)=C(C({1}C)O1)O SMILES O[C@@]1(C(O)=O)C[C@@H](O){4}[C@@H](O)[C@@H](O)C1 SMILES O{2}C1(C(C)=O)C={3}CCO1 SMILES O{3}C1=CC(/C=C/{9}C(O)=O)=CC(OC)=C1 SMILES O{7}[C@H]1C[C@@](C)(O)[C@H]({16}C(O)=O)C2=CC3=C(C(C4=C(C=CC=C4O)C3=O)=O)C(O)=C12 SMILES CC1CC[C@@]6(NC1)OC5CC4C3C/C=C\2C{6}[C@@H](O)CC[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3({17}CO)[C@H]4C[C@@](C=O)2[C@]({13}[C@](O)=O)3/C(C4=O)=C(C)\C SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3({17}CO)[C@H]4C[C@@](C=O)2[C@]({13}[C@](O)=O)3/C(C4=O)=C\CC SMILES CCCCCCCCC/C=C/CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO SMILES C=C5C4C(CC3C2C/C=C\1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)O[C@]56CC[C@@H](C)CO6 SMILES CC[C@H](CC[C@@H](C)[C@H]3CCC4C2C/C=C\1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@]34C)C(C)C SMILES C[C@]12CC[C@H]3[C@@H](CC{5}[C@@]4(O)[C@]3(C=O)CC{3}[C@H](O)C4){14}[C@@]1(O)CC[C@@H]2C5=CC(OC5)=O SMILES O=C1C(C(/C=C/C(C)=C/[C@H](C)CC)=O)=C(O)C(C2=CC=C(O)C=C2)=CN1{1}O SMILES CC(C1={2}C(O)N=C(C(C2=CC={54}C(O)C=C2)=O)C(OC)=N1)C SMILES CC(C1=CC(Br)={1}C(C(Br)=C1)O)(C2=CC(Br)={51}C(C(Br)=C2)O)C SMILES O{1}CCCCCCCCCCCCC{14}CO SMILES COc1c{8}c(O)c2c(O)c3c(cc2c1)C{3}[C@](C)(O)CC3=O SMILES C[C@@]12CCC[C@](C)({19}C(O)=O)[C@H]1CC[C@]34[C@H]2C[C@H]5[C@H]([C@]5(C)C4)C3 SMILES CC(C1=CC={1}C(C(Br)=C1)O)(C2=CC(Br)={51}C(C(Br)=C2)O)C SMILES C/C2=C/[C@H]1O[C@@H](C{11}C(C)O)C[C@H](C)[C@H]1CC2 SMILES C/C2=C/[C@H]1O[C@H](C{11}C(C)O)C[C@H](C)[C@H]1CC2 SMILES O{15}CC1=CC[C@]2(CC1)[C@@H](C(C)C){2}[C@@H](O)C[C@H]2C SMILES O={13}C([C@]12[C@]3({17}CO)C[C@]4([H])[C@H](C)CC[C@@]4([H])[C@@]1([H])C[C@]3([H]){11}[C@@H](O)[C@@]52[C@@H](C)C5)O SMILES O=C1C2=C(C(C3=C({9}C=CC=C31)O)=O)C=C[C@@](O)({12}[C@@]24O)C[C@](C)(CC4=O)O SMILES O=C1C[C@](C)(O)C[C@]2(O){12}[C@@]1(O)C(C(C3=CC={9}CC(O)=C3C4=O)=O)=C4[C@H](O)C2 SMILES COC1=CC({7}C(O)=O)=CC={4}C1O SMILES C1CO[C@H]2[C@@H]1C3=C(O2)C=C4C(={4}C3O)C(=O)C5=C(C4=O)C={6}C(C={8}C5O)O SMILES O=C/C1=C/[C@H](O)[C@@H](O){1}[C@@H](O)O1 SMILES CC1=CC2=C(C(C3=C({6}C(O)=C(OC)C={8}C3O)C2=O)=O)C(O)=C1 SMILES C{11}[C@]([C@H](CC[C@]1(O)C)C[C@@]2([H])[C@@H](C){3}[C@H](O)C[C@]21[H])(O){12}CO SMILES C{11}[C@@]([C@H](CC{10}[C@]1(O)C)C[C@@]2([H]){4}[C@](C)(O)CC[C@]21[H])(O){12}CO SMILES C[C@H](C(C)C){23}[C@H](O){22}[C@H](O)[C@@H](C)[C@H]1CC[C@@]2([H])C3=C{6}[C@H](O){5}[C@@]4(O)COC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O SMILES C[C@H]({25}C(C)(O)C)/C=C/[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])C({6}[C@@H](O){5}[C@@]4(O)C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O SMILES CC(C/C=C/C(C)=C/C(CC(C)CC)C){14}C(C(/C=C(C)/C=C/{8}C(O)C(C)c1oc(=O){3}c{4}c(O)c1)C)O SMILES CSC[C@H]1O{1}[C@H](O)[C@H](O)[C@H]1O SMILES OC1=CC({11}CO)=CC2=C1C(C3=C({6}C(O)=C(OC)C={8}C3O)C2=O)=O
Suc	nsu*	106	24	OCCCCO/6=O/3=O0220	succinic acid (HOOC-CH2-CH2-COOH)
Suc		85	73	[C](=O)(O)[CH2][CH2][C](=O)(O) adda

Residue is a name of the residue. When expanded, all anomeric, absolute and ringsize configurations are shown. Superclasses and aliases are in green.

Size is a type or carbon skeleton size of the residue:

di, tri, tet, pen, hex, hep, oct, non, dec = sugars and derivatives; indicates the total number of carbons
nsu = polyvalent non-sugar residues,
mva = monovalent non-sugar residues (Ac, Me etc.)
star (*) after Size means that residue can have NO different absolute configurations (e.g. Ac) or it's already specified in the residue name (e.g. LDmanHep, Kdo)

Type is a structural class of the residue:

ald = cyclic aldose
ket = cyclic ketose
opn = open chain sugar
sug = aldose, ketose or open-chain sugar (for superclasses)
ol = alditol
alk = alkyl
lip = acyl
sph = sphingoid
ino = inositol derivative
pep = amino acid
not specified = none of the above

Abundance is how many times the residue and its forms appear in the database. Multiple instances within a single compound are counted as many times, as residue appear in the structure. If a residue and its configuration are considered widespread during structure iteration (see GRASS), its abundance is italized.

Structures is in how many distinct compounds the residue and its forms appear (multiple instances within a single compound are counted only once).

Proton count is a character code, each character specifying how many protons are attached to a corresponding atom, as numbered in the structural formula. Default positions that can form an outgoing bond are highlighted in red. When expanded, atomic patterns aligned to this code are displayed in this column.

WURCS is residue or modification code in WURCS 2.0 notation. If a residue can have absolute configurations (i.e. it is optically active and configuration is not a part of its name), its code is given for D-configuration. Star indices reflect substitution positions (carbon numbers); upon usage they should be reordered sequentially, and unused stars should be removed together with indices.

Description are the residue IUPAC name and other notes.

Atom types is <ANY> (unknown carbon skeleton size) or a character code for each ring form, each character corresponding to a carbon position, as numbered in the structural formula. Atomic patterns are aligned with proton count. Possible characters are:

o = >CH-OH (hydroxy)
n = >CH-NH- (amino)
a = -COOH or -XO_nOH, e.g. phosphate (acid)
h = >CH-XH (carbon a hydrogenated heteroatom, e.g. -SH)
A = -CHO or -C(OH)₂ (carbon able to form a hemiacetal)
d = -CH₂- or >CH- or >CH< (deoxy)
D = -CH= or >CH= (deoxy sp²) or sp-C
O = -C(OH)= (hydroxy sp²)
N = -C(NHR)= (amino sp²) or -CONH₂ (amide)
H = -CH(XH)= (sp² carbon a hydrogenated heteroatom, e.g. -SH)
x = other carbon (>C=O, etc.), including >C-OMe
. = non-carbon atom included in atom numbering (except phosphate and sulfate functions)
? = any OR yet unclear

An icon is a link to structural formula, list of isomers (if ambiguous), SMILES string(s), list of stereomers (if ambiguous, per isomer), 3D model(s), and atom coordinates.

An icon is a link to corresponding MonosaccharideDB entry.

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Residue	Size (* = enanthiomericity)	Type	Abundance	Compounds	Protonation	Default linkage	WURCS	Description
->	Configuration		Abundance	Compounds	Atom pattern	SMILES count	SMILES strings
1,2,6daraHex	hex	ald	0	0	221113	1	dd122m	1,2,6-trideoxy-arabino-hexose (olivose in C-glycoside)
1,4dxylHex	hex	ald	15	7	211212	1	d21d2h	1,4-dideoxy-xylo-hexose
->	b-D-1,4dxylHexp		26	26	dooddo	1	[CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@H](O)1
->	?-D-1,4dxylHexp		4	4	dooddo	1	[CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[CH](O)1
1,6anhGlc	hex	ald	0	0	211112		?2122h_1-6	1,6-anhydroglucose
1,6anhGlcN	hex	ald	0	0	211112		?2122h_1-6_2*N	2-amino-1,6-anhydro-2-deoxyglucose
1,6anhMur	non*	ald	1	1	111112103	1	?2122h_1-6_2*N_3*OC^RCO/4=O/3C	1,6-anhydro-2-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (1,6-anhydromuramic acid)
->	?-1,6anhMurp		3	3	dnxodddad	1	[CH2](O2)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH]21
->	?-1,6anhMur?		3	3	dnx??ddad	2	[CH2](O2)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH]21 ; [CH2](O2)[C@@H](O)[C@@H](O1)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH]21
->	b-1,6anhMurp		1	1	dnxodddad	1	[CH2](O2)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@H]21
1,6dGul	hex	ald	1	1	211113	1	d2212m	1,6-dideoxygulose
->	?-D-1,6dGulp		2	2	oooodd	1	[CH3][C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1
->	b-D-1,6dGulp		1	1	oooodd	1	[CH3][C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
1dAll	hex	ald	26	11	211112	1	d2222h	1-deoxy-allose
->	b-D-1dAllp		24	24	dooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
1dGal	hex	ald	2	2	211112	1	d2112h	1-deoxy-galactose (the same as linear form of 1,5-anhGal-ol, which still has 1-5 cycle)
->	b-D-1dGalp		5	5	dooodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	a-D-1dGalp		4	4	dooodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
1dGlc	hex	ald	34	20	211112	1	d2122h	1-deoxy-glucose (the same as linear form of 1,5-anhGlc-ol, which still has 1-5 cycle)
->	b-D-1dGlcp		198	184	dooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	b-D-1dGlc?		4	4	doo??o	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	?-D-1dGlcp		3	3	dooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH2]1
->	a-D-1dGlcp		2	2	dooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-?-1dGlc?		2	2	doo??o	4	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](O)[CH](O)1
1dOli	hex	ald	10	10	221113	1	dd122m	1,2,6-trideoxy-arabino-hexose (olivose in C-glycoside)
->	b-D-1dOlip		28	28	ddoodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1
1dRha	hex	ald	1	1	211113	1	d1122m	1,6-dideoxymannose (1-deoxyrhamnose)
->	a-L-1dRhap		2	2	oooodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
2,5anhMan	hex	ald	11	11	111112	1	A1122h_2-5	2,5-anhydromannose
->	D-2,5anhMana		17	17	Axooxo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H]1[CH]=O
->	?-D-2,5anhMan?		11	11	?xo?xo	2	[CH2](O)[C@@H](O1)[C@@H](O2)[C@H](O)[C@H]1[CH](O)2 ; [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H]1[CH]=O
->	?-?-2,5anhMan?		4	4	?xo?xo	4	[CH2](O)[C@@H](O1)[C@@H](O2)[C@H](O)[C@H]1[CH](O)2 ; [CH2](O)[C@H](O1)[C@H](O2)[C@@H](O)[C@@H]1[CH](O)2 ; [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H]1[CH]=O ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H]1[CH]=O
->	?-2,5anhMana		1	1	Axooxo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H]1[CH]=O ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H]1[CH]=O
2,5anhTal	hex	ald	4	3	111112	1	A1112h_2-5	2,5-anhydrotalose
->	D-2,5anhTala		11	11	Axooxo	1	[CH2](O)[C@@H](O2)[C@H](O)[C@H](O)[C@H]2[CH]=O
->	?-2,5anhTala		2	2	Axooxo	2	[CH2](O)[C@@H](O2)[C@H](O)[C@H](O)[C@H]2[CH]=O ; [CH2](O)[C@H](O2)[C@@H](O)[C@@H](O)[C@@H]2[CH]=O
2,6daraHex	hex	ald	0	0	121113	1	?d122m	2,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose
2,6daraHex3N	hex	ald	0	0	121113	1	?12d2m_3*N	3-amino-2,3,6-trideoxy-arabino-hexose
2,6daraHex4N	hex	ald	0	0	121113	1	?d122m_4*N	4-amino-2,4,6-trideoxy-arabino-hexose
2,6dlyxHex3N	hex	ald	0	0	121113	1	?11d2m_3*N	3-amino-2,3,6-trideoxy-lyxo-hexose
2,6dxylHex	hex	ald	0	0	121113	1	?d212m	2,6-dideoxy-xylo-hexose (sarmentose = boiviniose, 2d6d-Gul = 2d6d-Ido)
2daraHexA	hex	ald	5	4	121110	1	?d122A	2-deoxy-arabino-hexuronic acid (2-deoxyglucuronic acid)
->	b-D-2daraHexpA		7	7	odooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1
->	?-D-2daraHex?A		1	1	?do??a	3	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[CH2][CH](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[CH2][CH](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O)[C@H](O)[CH2][CH]=O
2dRib	pen	ald	11	2	12112	1	?d22h	2-deoxy-erytro-pentose (2d-Rib = 2d-Ara)
->	b-D-2dRibf		2	2	ododo	1	[CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](O)1
2dthrPen4N	pen	ald	5	5	12112	1	?d12h_4*N	4-amino-2,4-dideoxy-threo-pentose
->	a-L-2dthrPenp4N		5	5	odond	1	N[C@H]1[CH2]O[C@@H](O)[CH2][C@@H]1O
3deryPen	pen	ald	73	9	11212	1	?2d2h	3-deoxy-erytro-pentose (3d-Rib = 3d-Xyl)
->	b-D-3deryPenf		9	9	ooddo	1	[CH2](O)[C@@H](O1)[CH2][C@@H](O)[C@H](O)1
3dgroTet	tet	ald	0	0	1122	1	o2dh	3-deoxy-glycero-tetrose
4,6daraHexN	hex	ald	0	0	111213	1	?12d2m_2*N	2-amino-2,4,6-trideoxy-arabino-hexose
4daraHex	hex	ald	15	8	111212	1	?12d2h	4-deoxy-arabino-hexose
->	b-D-4daraHexp		14	9	oooddo	1	[CH2](O)[C@@H](O1)[CH2][C@@H](O)[C@H](O)[C@H](O)1
->	a-D-4daraHexp		2	2	oooddo	1	[CH2](O)[C@@H](O1)[CH2][C@@H](O)[C@H](O)[C@@H](O)1
4deryHex4enA	hex	ald	6	6	111100	1	?22eEA	4-deoxy-erythro-hex-4-enuronic acid
->	a-L-4deryHexp4enA		7	7	oooDDa	1	[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@H](O)[C@H](O)1
->	a-?-4deryHexp4enA		5	5	oooDDa	2	[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@@H](O)[C@@H](O)1 ; [C](=O)(O)/[C](O1)=[CH][C@H](O)[C@H](O)[C@H](O)1
4deryHex4enNA	hex	ald	3	3	111100	1	?22eEA_2*N	2-amino-2,4-dideoxy-erythro-hex-4-enuronic acid
->	a-L-4deryHexp4enNA		3	3	onoDDa	1	[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@H](N)[C@H](O)1
->	a-L-4deryHex?4enNA		2	2	?noD?a	1	[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@H](N)[C@H](O)1
4dthrHex4en	hex	ald	4	2	111102	1	?12eEh	4-deoxy-threo-hex-4-enose
->	a-L-4dthrHexp4en		2	2	oooDDo	1	[CH2](O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@H](O)1
->	b-D-4dthrHexp4en		2	2	oooDDo	1	[CH2](O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@H](O)1
4dthrHex4enA	hex	ald	13	11	111100	1	?12eEA	4-deoxy-threo-hex-4-enuronic acid
->	b-L-4dthrHexp4enA		44	44	oooDDa	1	[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@@H](O)1
->	a-D-4dthrHexp4enA		18	17	oooDDa	1	[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@@H](O)1
->	a-L-4dthrHexp4enA		14	13	oooDDa	1	[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@H](O)1
->	b-L-4dthrHex?4enA		11	11	?ooD?a	1	[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@@H](O)1
->	?-?-4dthrHex?4enA		1	1	?ooD?a	2	[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[CH](O)1 ; [C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](O)[CH](O)1
->	b-D-4dthrHex?4enA		1	1	?ooD?a	1	[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@H](O)1
->	b-D-4dthrHexp4enA		1	1	oooDDa	1	[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@H](O)1
->	a-D-4dthrHex?4enA		1	1	?ooD?a	1	[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@@H](O)1
4dthrHex4enNA	hex	ald	7	4	111100	1	?12eEA_2*N	2-amino-2,4-dideoxy-threo-hex-4-enuronic acid
->	b-L-4dthrHexp4enNA		11	11	onoDDa	1	[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](N)[C@@H](O)1
->	a-D-4dthrHexp4enNA		3	3	onoDDa	1	[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](N)[C@@H](O)1
->	b-D-4dthrHexp4enNA		2	2	onoDDa	1	[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](N)[C@H](O)1
->	b-D-4dthrHex?4enNA		1	1	?noD?a	1	[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](N)[C@H](O)1
->	?-?-4dthrHexp4enNA		1	1	onoDDa	2	[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](N)[CH](O)1 ; [C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](N)[CH](O)1
4dxylHex	hex	ald	2	2	111212	1	?21d2h	4-deoxy-xylo-hexose
->	a-D-4dxylHexp		7	7	oooddo	1	[CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@@H](O)1
->	b-D-4dxylHexp		1	1	oooddo	1	[CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@H](O)1
6dallHep	hep	ald	0	0	1111122	1	?2222dh	6-deoxy-allo-heptose
6dAlt	hex	ald	51	22	111113	1	?1222m	6-deoxyaltrose
->	b-D-6dAltp		32	32	oooodd	1	[CH3][C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	b-L-6dAltf		17	8	ooodod	1	[CH3][C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-L-6dAltp		16	6	oooodd	1	[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	a-L-6dAltf		7	6	ooodod	1	[CH3][C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	?-L-6dAltf		2	2	ooodod	1	[CH3][C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1
->	a-L-6dAltp		2	2	oooodd	1	[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	?-L-6dAlt?		1	1	?oo??d	3	[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH]=O
->	?-L-6dAltp		1	1	oooodd	1	[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1
->	b-L-6dAlt?		1	1	?oo??d	2	[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH3][C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
6dAltN	hex	ald	10	4	111113	1	?1222m_2*N	2-amino-2,6-dideoxyaltrose
->	a-L-6dAltpN		3	3	onoodd	1	[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1
->	b-L-6dAltpN		1	1	onoodd	1	[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1
6dAltN4N	hex	ald	1	1	111113	1	?1222m_2*N_4*N	2,4-diamino-2,4,6-trideoxyaltrose
->	b-L-6dAltpN4N		6	6	onondd	1	[CH3][C@H](O1)[C@H](N)[C@H](O)[C@@H](N)[C@@H](O)1
->	a-D-6dAltpN4N		4	4	onondd	1	[CH3][C@@H](O1)[C@@H](N)[C@@H](O)[C@H](N)[C@@H](O)1
->	b-L-6dAlt?N4N		1	1	?non?d	1	[CH3][C@H](O1)[C@H](N)[C@H](O)[C@@H](N)[C@@H](O)1
->	?-L-6dAltpN4N		1	1	onondd	1	[CH3][C@H](O1)[C@H](N)[C@H](O)[C@@H](N)[CH](O)1
6daltHep	hep	ald	18	12	1111122	1	?1222dh	6-deoxy-altro-heptose
->	a-D-6daltHepp		13	12	ooooddo	1	[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	b-D-6daltHepf		3	3	ooododo	1	[CH2](O)[CH2][C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1
6daraHexN-4-ulo	hex	ald	1	1	111013	1	?12U2m_2*N	2-amino-2,6-dideoxy-arabino-hexos-4-ulose
->	b-L-6daraHexpN-4-ulo		2	2	onoxdd	1	[CH3][C@H](O1)[C](=O)[C@H](O)[C@@H](N)[C@@H](O)1
6dgalHep	hep	ald	3	2	1111122	1	?2112dh	6-deoxy-galacto-heptose
->	a-L-6dgalHepf		3	3	ooododo	1	[CH2](O)[CH2][C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1
->	a-L-6dgalHepp		2	1	ooooddo	1	[CH2](O)[CH2][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1
6dglcHep	hep	ald	0	0	1111122	1	?2122dh	6-deoxy-gluco-heptose
6dgulHep	hep	ald	5	3	1111122	1	?2212dh	6-deoxy-gulo-heptose
->	a-L-6dgulHepp		12	9	ooooddo	1	[CH2](O)[CH2][C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1
->	?-L-6dgulHep?		1	1	?oo??do	3	[CH2](O)[CH2][C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[CH2][C@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[CH2][C@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH]=O
->	a-L-6dgulHepf		1	1	ooododo	1	[CH2](O)[CH2][C@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1
6dIdo	hex	ald	0	0	111113	1	?1212m	6-deoxyidose
6didoHep	hep	ald	7	4	1111122	1	?1212dh	6-deoxy-ido-heptose
->	b-D-6didoHepp		6	5	ooooddo	1	[CH2](O)[CH2][C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	a-D-6didoHepp		1	1	ooooddo	1	[CH2](O)[CH2][C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
6dmanHep	hep	ald	48	17	1111122	1	?1122dh	6-deoxy-manno-heptose
->	b-D-6dmanHepp		41	39	ooooddo	1	[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1
->	a-D-6dmanHepp		17	10	ooooddo	1	[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1
->	b-?-6dmanHepp		3	3	ooooddo	2	[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ; [CH2](O)[CH2][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1
->	?-?-6dmanHep?		3	3	?oo??do	4	[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[CH2][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[CH2][C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[CH2][C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[CH](O)1
->	?-?-6dmanHepp		2	2	ooooddo	2	[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[CH2][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1
->	a-D-6dmanHep?		1	1	?oo??do	2	[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[CH2][C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)1
->	b-D-6dmanHep?		1	1	?oo??do	2	[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ; [CH2](O)[CH2][C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1
->	?-D-6dmanHep?		1	1	?oo??do	3	[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[CH2][C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[CH2][C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH]=O
6dribHex-3-ulo	hex	ald	2	2	110113	1	?2U22m	6-deoxy-ribo-hexos-3-ulose
->	a-D-6dribHexp-3-ulo		6	6	ooxodd	1	[CH3][C@@H](O1)[C@@H](O)[C](=O)[C@@H](O)[C@@H](O)1
->	b-L-6dribHexp-3-ulo		5	5	ooxodd	1	[CH3][C@H](O1)[C@H](O)[C](=O)[C@H](O)[C@@H](O)1
6dTal	hex	ald	258	95	111113	1	?1112m	6-deoxytalose
->	a-L-6dTalp		360	284	oooodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
->	a-D-6dTalp		50	37	oooodd	1	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)1
->	b-L-6dTalp		14	12	oooodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1
->	?-L-6dTal?		13	13	?oo??d	3	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[CH]=O
->	a-?-6dTalp		10	7	oooodd	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
->	a-L-6dTal?		7	7	?oo??d	2	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 ; [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1
->	b-D-6dTalp		6	5	oooodd	1	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)1
->	?-L-6dTalp		5	5	oooodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[CH](O)1
->	b-?-6dTalp		3	1	oooodd	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1
->	?-?-6dTalp		2	2	oooodd	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[CH](O)1
->	a-?-6dTal?		1	1	?oo??d	4	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 ; [CH3][C@@H](O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1
6dTal3N	hex	ald	0	0	111113	1	?1112m_3*N	3-amino-3,6-dideoxytalose
6dTalN	hex	ald	15	5	111113	1	?1112m_2*N	2-amino-2,6-dideoxytalose (pneumosamine if D)
->	a-L-6dTalpN		14	14	onoodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@H](O)1
->	a-L-6dTal?N		2	2	?no??d	2	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@H](O)1 ; [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@@H](N)[C@H](O)1
->	b-L-6dTalpN		2	2	onoodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@@H](O)1
6dxylHex-4-ulo	hex	ald	1	1	111013	1	?21U2m	6-deoxy-xylo-hexos-4-ulose
->	a-D-6dxylHexp-4-ulo		2	2	oooxdd	1	[CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-D-6dxylHexp-4-ulo		1	1	oooxdd	1	[CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](O)[CH](O)1
6dxylHexN-4-ulo	hex	ald	45	9	111013	1	?21U2m_2*N	2-amino-2,6-dideoxy-xylo-hexos-4-ulose
->	a-D-6dxylHexpN-4-ulo		16	16	onoxdd	1	[CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](N)[C@@H](O)1
->	b-D-6dxylHexpN-4-ulo		14	14	onoxdd	1	[CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](N)[C@H](O)1
->	?-D-6dxylHexpN-4-ulo		1	1	onoxdd	1	[CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](N)[CH](O)1
->	a-L-6dxylHexpN-4-ulo		1	1	onoxdd	1	[CH3][C@H](O1)[C](=O)[C@@H](O)[C@H](N)[C@H](O)1
Abe	hex*	ald	48	23	112113	1	?2d12m	3,6-dideoxy-D-xylo-hexose (abequose), 3dFuc=3,6dGul
->	a-Abep		173	152	oododd	1	[CH3][C@@H](O1)[C@H](O)[CH2][C@@H](O)[C@@H](O)1
->	a-Abe?		3	3	?od??d	2	[CH3][C@@H](O1)[C@H](O)[CH2][C@@H](O)[C@@H](O)1 ; [CH3][C@@H](O)[C@H](O1)[CH2][C@@H](O)[C@@H](O)1
->	?-Abep		3	3	oododd	1	[CH3][C@@H](O1)[C@H](O)[CH2][C@@H](O)[CH](O)1
->	?-Abe?		1	1	?od??d	2	[CH3][C@@H](O1)[C@H](O)[CH2][C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@H](O1)[CH2][C@@H](O)[CH](O)1
Aco3N	hex*	ald	0	0	121113	1	?d121m_3*N	3-amino-2,3,6-trideoxy-L-xylo-hexose (acosamine)
All1N5NA	hex	ald	37	9	111110	1	?2222A_1*N_5*N	1,5-diamino-1,5-deoxy-alluronic acid
->	b-D-Allf1N5NA		36	36	noodna	1	N[C@@H]1O[C@H]([C@H](N)[C](=O)O)[C@@H](O)[C@H]1O
All5NA	hex	ald	0	0	111110	1	?2222A_5*N	5-amino-5-deoxy-alluronic acid
AllN	hex	ald	4	3	111112	1	?2222h_2*N	2-amino-2-deoxyallose
->	a-D-AllpN		5	5	onoodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@@H](O)1
->	b-D-AllpN		4	2	onoodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@H](O)1
AllN3N	hex	ald	0	0	111112	1	?2222h_2*N_3*N	2,3-diamino-2,3-dideoxyallose
Alt	hex	ald	84	26	111112	1	?1222h	altrose
->	b-D-Altp		38	38	oooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	b-L-Altp		2	2	oooodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	a-L-Altf		2	2	ooodoo	1	[CH2](O)[C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	b-D-Altf		1	1	ooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1
->	a-L-Altp		1	1	oooodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	b-?-Altp		1	1	oooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
AltA	hex	ald	47	21	111110	1	?1222A	altruronic acid
->	b-D-AltpA		20	20	ooooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	a-L-AltpA		6	6	ooooda	1	[C](=O)(O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1
AltN	hex	ald	0	0	111112	1	?1222h_2*N	2-amino-2-deoxyaltrose
AltN3N	hex	ald	0	0	111112	1	?1222h_2*N_3*N	2,3-diamino-2,3-dideoxyaltrose
Ami	hex	ald	1	1	122113	1	?dd22m	2,3,6-trideoxy-erythro-hexose (amicetose, default: D)
->	b-D-Amip		3	3	oddodd	1	[CH3][C@@H](O1)[C@@H](O)[CH2][CH2][C@H](O)1
->	a-L-Amip		3	3	oddodd	1	[CH3][C@H](O1)[C@H](O)[CH2][CH2][C@H](O)1
Api	pen	ald	1	1	11022	1	?26h_3*CO	apiose (3-C-(hydroxymethyl)-D/L-glycero-tetrose)
->	b-D-Apif		268	258	ooodo	1	[CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[C@H](O)1
->	?-?-Apif		13	10	ooodo	2	[CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[CH](O)1 ; [CH2](O1)[C@]([CH2]O)(O)[C@H](O)[CH](O)1
->	a-L-Apif		6	6	ooodo	1	[CH2](O1)[C@]([CH2]O)(O)[C@H](O)[C@H](O)1
->	?-?-Api?		2	2	?oo?o	2	[CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[CH](O)1 ; [CH2](O1)[C@]([CH2]O)(O)[C@H](O)[CH](O)1
->	a-D-Apif		2	2	ooodo	1	[CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[C@@H](O)1
->	a-L-Api?		2	2	?oo?o	1	[CH2](O1)[C@]([CH2]O)(O)[C@H](O)[C@H](O)1
->	b-?-Apif		1	1	ooodo	2	[CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[C@H](O)1 ; [CH2](O1)[C@]([CH2]O)(O)[C@H](O)[C@@H](O)1
->	b-D-Api?		1	1	?oo?o	1	[CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[C@H](O)1
Ara	pen	ald	3024	158	11112	1	?122h	arabinose
->	a-L-Arap		1169	1079	ooood	1	[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	a-D-Araf		749	160	ooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
->	a-L-Araf		748	476	ooodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	b-D-Araf		207	99	ooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1
->	?-D-Araf		113	62	ooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH](O)1
->	?-L-Araf		106	56	ooodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1
->	b-L-Araf		99	80	ooodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-?-Araf		68	33	ooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1
->	b-L-Arap		43	40	ooood	1	[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-?-Arap		43	18	ooood	2	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1
->	b-D-Arap		42	36	ooood	1	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	?-?-Ara?		41	25	?oo??	4	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1
->	a-L-Ara?		37	24	?oo??	2	[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	a-?-Araf		29	14	ooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	?-L-Arap		28	18	ooood	1	[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1
->	a-D-Arap		25	20	ooood	1	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-L-Ara?		24	23	?oo??	3	[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[CH]=O
->	a-?-Arap		17	17	ooood	2	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	b-?-Arap		10	10	ooood	2	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ; [CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-?-Araf		5	4	ooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-D-Ara?		4	4	?oo??	3	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[CH]=O
->	?-D-Arap		4	4	ooood	1	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1
->	b-L-Ara?		2	1	?oo??	2	[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	a-D-Ara?		1	1	?oo??	2	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
->	a-?-Ara?		1	1	?oo??	4	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
Ara4N	pen	ald	220	71	11112	1	?122h_4*N	4-amino-4-deoxyarabinose
->	b-L-Arap4N		435	340	ooond	1	[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-L-Arap4N		41	29	ooond	1	[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[CH](O)1
->	a-L-Arap4N		17	14	ooond	1	[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@H](O)1
->	?-?-Arap4N		16	12	ooond	2	[CH2](O1)[C@@H](N)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[CH](O)1
->	b-L-Ara?4N		4	3	?oon?	1	[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-D-Ara?4N		3	3	?oon?	1	[CH2](O1)[C@@H](N)[C@@H](O)[C@H](O)[C@H](O)1
->	?-L-Ara?4N		1	1	?oon?	1	[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[CH](O)1
->	?-?-Ara?4N		1	1	?oon?	2	[CH2](O1)[C@@H](N)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[CH](O)1
->	a-L-Ara?4N		1	1	?oon?	1	[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@H](O)1
Asc	hex*	ald	9	6	112113	1	?2d11m	3,6-dideoxy-L-arabino-hexose (ascarilose), 3dRha=3,6dAlt
->	a-Ascp		10	9	oododd	1	[CH3][C@H](O1)[C@H](O)[CH2][C@@H](O)[C@H](O)1
->	a-Asc?		3	3	?od??d	2	[CH3][C@H](O1)[C@H](O)[CH2][C@@H](O)[C@H](O)1 ; [CH3][C@H](O)[C@H](O1)[CH2][C@@H](O)[C@H](O)1
->	?-Asc?		1	1	?od??d	2	[CH3][C@H](O1)[C@H](O)[CH2][C@@H](O)[CH](O)1 ; [CH3][C@H](O)[C@H](O1)[CH2][C@@H](O)[CH](O)1
->	a-Ascf		1	1	ooddod	1	[CH3][C@H](O)[C@H](O1)[CH2][C@@H](O)[C@H](O)1
->	?-Ascp		1	1	oododd	1	[CH3][C@H](O1)[C@H](O)[CH2][C@@H](O)[CH](O)1
Caryophyllose	dod*	ald	8	5	112012111313	1	?2d21d222m_4*1C^RC/2O*2	3,6,10-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-erythro-D-gulo-decose
->	a-Caryophyllosep		19	13	oodoodoooddd	1	[CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@@H](O)1
->	b-Caryophyllosep		2	2	oodoodoooddd	1	[CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@H](O)1
->	?-Caryophyllosep		2	2	oodoodoooddd	1	[CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[CH](O)1
->	?-Caryophyllose?		1	1	?odoodoood?d	2	[CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O)[CH3])(O)[CH2][C@@H](O)[CH]=O
->	Caryophyllosea		1	1	Aodoodooodod	1	[CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O)[CH3])(O)[CH2][C@@H](O)[CH]=O
Caryose	non*	ald	2	1	112011103	1	?1d61215m	4,8-cyclo-3,9-dideoxy-L-erythro-D-ido-nonose
->	b-Caryosep		22	4	oododoood	1	[CH3][C@]2(O)[C@H](O)[C@@H](O)[C@H](O1)[C@@]2(O)[CH2][C@H](O)[C@H](O)1
->	b-Caryose?		3	1	?odo?oood	1	[CH3][C@]2(O)[C@H](O)[C@@H](O)[C@H](O1)[C@@]2(O)[CH2][C@H](O)[C@H](O)1
->	?-Caryose?		1	1	?odo?oood	2	[CH3][C@]2(O)[C@H](O)[C@@H](O)[C@H](O1)[C@@]2(O)[CH2][C@H](O)[CH](O)1 ; [CH3][C@]2(O)[C@H](O)[C@@H](O)[C@H](O)[C@@]2(O)[CH2][C@H](O)[CH]=O
Col	hex*	ald	51	26	112113	1	?1d21m	3,6-dideoxy-L-xylo-hexose (colitose), 3dFuc=3,6dGul
->	a-Colp		135	89	oododd	1	[CH3][C@H](O1)[C@@H](O)[CH2][C@H](O)[C@H](O)1
->	a-Col?		10	10	?od??d	2	[CH3][C@H](O1)[C@@H](O)[CH2][C@H](O)[C@H](O)1 ; [CH3][C@H](O)[C@@H](O1)[CH2][C@H](O)[C@H](O)1
->	b-Colp		2	2	oododd	1	[CH3][C@H](O1)[C@@H](O)[CH2][C@H](O)[C@@H](O)1
->	?-Colp		1	1	oododd	1	[CH3][C@H](O1)[C@@H](O)[CH2][C@H](O)[CH](O)1
DDaltHep	hep*	ald	4	4	1111112	1	?12222h	D-glycero-D-altro-heptose
->	a-DDaltHepp		4	4	oooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	a-DDaltHep?		2	2	?oo??oo	2	[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
DDgalHep	hep*	ald	24	3	1111112	1	?21122h	D-glycero-D-galacto-heptose
->	b-DDgalHepp		28	10	oooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	a-DDgalHepp		3	3	oooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
DDmanHep	hep*	ald	321	89	1111112	1	?11222h	D-glycero-D-manno-heptose
->	a-DDmanHepp		1059	683	oooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1
->	?-DDmanHepp		35	15	oooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1
->	b-DDmanHepp		23	23	oooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1
->	?-DDmanHep?		3	3	?oo??oo	3	[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH]=O
Des	oct*	ald	0	0	11121333	1	?21d2m_3*NC/2C	3-dimethylamino-3,4,6-trideoxy-D-xylo-hexose (desosamine)
Dig	hex	ald	17	11	121113	1	?d222m	2,6-dideoxy-ribo-hexose (digitoxose, 2d6d-All = 2d6d-Alt), 3OMe-derivative = cymarose
->	b-D-Digp		601	300	odoodd	1	[CH3][C@@H](O1)[C@@H](O)[C@@H](O)[CH2][C@H](O)1
->	b-?-Digp		76	36	odoodd	2	[CH3][C@@H](O1)[C@@H](O)[C@@H](O)[CH2][C@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@H](O)[CH2][C@@H](O)1
->	a-L-Digp		42	30	odoodd	1	[CH3][C@H](O1)[C@H](O)[C@H](O)[CH2][C@H](O)1
->	a-?-Digp		31	16	odoodd	2	[CH3][C@@H](O1)[C@@H](O)[C@@H](O)[CH2][C@@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@H](O)[CH2][C@H](O)1
->	b-L-Digp		13	12	odoodd	1	[CH3][C@H](O1)[C@H](O)[C@H](O)[CH2][C@@H](O)1
->	D-Diga		5	3	Adoood	1	[CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][CH]=O
->	?-D-Dig?		2	2	?do??d	3	[CH3][C@@H](O1)[C@@H](O)[C@@H](O)[CH2][CH](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@@H](O)[CH2][CH](O)1 ; [CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][CH]=O
DLglcHep	hep*	ald	31	11	1111112	1	?12112h	D-glycero-L-gluco-heptose
->	a-DLglcHepp		9	9	oooodoo	1	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	b-DLglcHepp		6	6	oooodoo	1	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-DLglcHepp		1	1	oooodoo	1	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1
->	?-DLglcHep?		1	1	?oo??oo	3	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[CH]=O
DLmanHep	hep*	ald	0	0	1111112	1	?22112h	D-glycero-L-manno-heptose
Erwiniose	dec*	ald	6	4	1120121313	1	?2d21d2m_4*1C^RC/2O*2	3,6,8-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-gulo-octose
->	b-Erwiniose?		8	8	?odo?dodod	1	[CH3][C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@H](O)1
EryN	tet	ald	0	0	1112	1	?22h_2*N	2-amino-2-deoxyerythrose
eryPen-4-ulo	pen	ald	0	0	11102	1	?22Oh	erythro-pentos-4-ulose (ald function at C1, keto at C4)
Fuc	hex	ald	970	396	111113	1	?2112m	6-deoxygalactose (fucose)
->	a-L-Fucp		2088	1593	oooodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	b-D-Fucp		428	419	oooodd	1	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	a-D-Fucp		160	134	oooodd	1	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	a-?-Fucp		73	58	oooodd	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	b-L-Fucp		72	59	oooodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-L-Fucp		58	47	oooodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1
->	a-?-Fuc?		44	40	?oo??d	4	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ; [CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1
->	a-L-Fuc?		33	27	?oo??d	2	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ; [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1
->	a-D-Fucf		32	26	ooodod	1	[CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-L-Fuc?		25	25	?oo??d	3	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH](O)1 ; [CH3][C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[CH]=O
->	?-?-Fuc?		21	19	?oo??d	4	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH](O)1
->	?-?-Fucp		19	19	oooodd	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1
->	b-D-Fucf		7	7	ooodod	1	[CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	?-D-Fucp		5	5	oooodd	1	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1
->	?-D-Fuc?		4	4	?oo??d	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1
->	a-D-Fuc?		3	2	?oo??d	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-L-Fuc?		2	2	?oo??d	2	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ; [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
->	b-?-Fucp		2	2	oooodd	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	b-?-Fucf		1	1	ooodod	2	[CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
Fuc3N	hex	ald	153	58	111113	1	?2112m_3*N	3-amino-3,6-dideoxygalactose
->	a-D-Fucp3N		128	103	oonodd	1	[CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[C@@H](O)1
->	b-D-Fucp3N		69	68	oonodd	1	[CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[C@H](O)1
->	?-D-Fucp3N		5	5	oonodd	1	[CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[CH](O)1
->	?-?-Fucp3N		5	4	oonodd	2	[CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[CH](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](N)[C@H](O)[CH](O)1
->	a-?-Fucp3N		5	4	oonodd	2	[CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[C@@H](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](N)[C@H](O)[C@H](O)1
->	a-L-Fucp3N		4	4	oonodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](N)[C@H](O)[C@H](O)1
->	b-L-Fucp3N		2	2	oonodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](N)[C@H](O)[C@@H](O)1
->	?-D-Fuc?3N		1	1	?on??d	3	[CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@H](O)[C@H](N)[C@@H](O)[CH]=O
Fuc4N	hex	ald	61	22	111113	1	?2112m_4*N	4-amino-4,6-dideoxygalactose (thomosamine if D)
->	a-D-Fucp4N		62	59	ooondd	1	[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1
->	a-L-Fucp4N		5	5	ooondd	1	[CH3][C@H](O1)[C@@H](N)[C@@H](O)[C@H](O)[C@H](O)1
->	b-D-Fucp4N		5	5	ooondd	1	[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[C@H](O)1
->	a-D-Fuc?4N		3	3	?oon?d	1	[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-?-Fucp4N		2	2	ooondd	2	[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH3][C@H](O1)[C@@H](N)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-D-Fucp4N		1	1	ooondd	1	[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[CH](O)1
FucN	hex	ald	513	238	111113	1	?2112m_2*N	2-amino-2,6-dideoxygalactose
->	a-L-FucpN		439	381	onoodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@H](O)1
->	a-D-FucpN		146	142	onoodd	1	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1
->	b-D-FucpN		90	90	onoodd	1	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1
->	b-L-FucpN		13	11	onoodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@@H](O)1
->	?-L-FucpN		7	7	onoodd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[CH](O)1
->	?-D-Fuc?N		5	5	?no??d	3	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[CH](O)1 ; [CH3][C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH]=O
->	b-L-FucfN		4	4	onodod	1	[CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)1
->	a-D-Fuc?N		3	3	?no??d	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 ; [CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@@H](O)1
->	?-D-FucpN		3	3	onoodd	1	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1
->	?-L-Fuc?N		2	2	?no??d	3	[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[CH](O)1 ; [CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](N)[CH](O)1 ; [CH3][C@H](O)[C@@H](O)[C@@H](O)[C@H](N)[CH]=O
->	a-L-FucfN		1	1	onodod	1	[CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](O)1
->	b-D-FucfN		1	1	onodod	1	[CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](O)1
->	a-?-FucpN		1	1	onoodd	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@H](O)1
->	b-D-Fuc?N		1	1	?no??d	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](O)1
->	?-?-FucpN		1	1	onoodd	2	[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[CH](O)1
FucN4N	hex	ald	116	63	111113	1	?2112m_2*N_4*N	2,4-diamino-2,4,6-trideoxygalactose
->	b-D-FucpN4N		110	93	onondd	1	[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](N)[C@H](O)1
->	a-D-FucpN4N		101	95	onondd	1	[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](N)[C@@H](O)1
->	b-L-FucpN4N		6	6	onondd	1	[CH3][C@H](O1)[C@@H](N)[C@@H](O)[C@H](N)[C@@H](O)1
->	a-L-FucpN4N		3	3	onondd	1	[CH3][C@H](O1)[C@@H](N)[C@@H](O)[C@H](N)[C@H](O)1
Gal	hex	ald	11390	3076	111112	1	?2112h	galactose
->	b-D-Galp		9713	6457	oooodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	a-D-Galp		5989	4244	oooodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-D-Galf		1936	1037	ooodoo	1	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	?-D-Galp		482	277	oooodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1
->	b-?-Galp		291	113	oooodo	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	a-D-Galf		180	141	ooodoo	1	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-D-Gal?		131	126	?oo??o	3	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH]=O
->	?-?-Galp		128	48	oooodo	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1
->	b-D-Gal?		126	93	?oo??o	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	b-?-Galf		109	53	ooodoo	2	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
->	a-D-Gal?		101	50	?oo??o	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	a-?-Galp		92	55	oooodo	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	?-?-Gal?		67	42	?oo??o	6	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH]=O ; [CH2](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[CH]=O
->	?-D-Galf		55	43	ooodoo	1	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1
->	b-?-Gal?		46	24	?oo??o	4	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
->	a-?-Gal?		33	10	?oo??o	4	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1
->	?-?-Galf		29	18	ooodoo	2	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH](O)1
->	a-L-Galp		19	15	oooodo	1	[CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	a-?-Galf		10	8	ooodoo	2	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1
->	?-L-Galp		9	6	oooodo	1	[CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1
->	D-Gala		1	1	Aooooo	1	[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH]=O
Gal3N	hex	ald	0	0	111112	1	?2112h_3*N	3-amino-3-deoxygalactose
GalA	hex	ald	633	275	111110	1	?2112A	galacturonic acid
->	a-D-GalpA		1424	1063	ooooda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-D-GalpA		441	394	ooooda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	a-?-GalpA		110	28	ooooda	2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	?-D-GalpA		76	37	ooooda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1
->	?-?-GalpA		20	16	ooooda	2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1
->	a-D-Gal?A		9	5	?oo??a	2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [C](=O)(O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-?-Gal?A		5	4	?oo??a	4	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [C](=O)(O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH](O)1
->	?-D-Gal?A		4	4	?oo??a	3	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH]=O
->	b-?-GalpA		4	3	ooooda	2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	b-L-GalpA		2	1	ooooda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
GalN	hex	ald	2156	867	111112	1	?2112h_2*N	2-amino-2-deoxygalactose
->	a-D-GalpN		2097	1798	onoodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1
->	b-D-GalpN		1928	1663	onoodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1
->	?-D-GalpN		96	81	onoodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1
->	D-GalaN		57	57	Anoooo	1	[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH]=O
->	?-D-Gal?N		30	30	?no??o	3	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH]=O
->	b-D-GalfN		20	20	onodoo	1	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](O)1
->	b-?-GalpN		17	17	onoodo	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@@H](O)1
->	a-?-GalpN		8	5	onoodo	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@H](O)1
->	a-D-Gal?N		7	7	?no??o	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@@H](O)1
->	b-D-Gal?N		6	6	?no??o	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](O)1
->	?-?-Gal?N		6	5	?no??o	6	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH]=O ; [CH2](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](N)[CH]=O
->	a-D-GalfN		3	3	onodoo	1	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@@H](O)1
->	b-?-Gal?N		3	3	?no??o	4	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)1
->	L-GalaN		2	2	Anoooo	1	[CH2](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](N)[CH]=O
->	?-?-GalpN		1	1	onoodo	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[CH](O)1
->	b-?-GalfN		1	1	onodoo	2	[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)1
->	a-?-Gal?N		1	1	?no??o	4	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@@H](O)1 ; [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](O)1
GalN1N	hex	ald	1	1	111112	1	?2112h_1*N_2*N	1,2-diamino-1,2-dideoxygalactose (used for N-glycans)
->	?-D-GalpN1N		2	2	nnoodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](N)1
->	b-D-GalpN1N		2	2	nnoodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](N)1
GalN3N	hex	ald	0	0	111112	1	?2112h_2*N_3*N	2,3-diamino-2,3-dideoxygalactose
GalN3NA	hex	ald	4	2	111110	1	?2112A_2*N_3*N	2,3-diamino-2,3-dideoxygalacturonic acid
->	a-L-GalpN3NA		25	18	onnoda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](N)[C@H](N)[C@H](O)1
->	a-D-GalpN3NA		9	6	onnoda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](N)[C@@H](N)[C@@H](O)1
->	b-L-GalpN3NA		2	2	onnoda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](N)[C@H](N)[C@@H](O)1
->	b-D-GalpN3NA		1	1	onnoda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](N)[C@@H](N)[C@H](O)1
->	a-?-GalpN3NA		1	1	onnoda	2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](N)[C@@H](N)[C@@H](O)1 ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](N)[C@H](N)[C@H](O)1
GalNA	hex	ald	331	122	111110	1	?2112A_2*N	2-amino-2-deoxygalacturonic acid
->	a-D-GalpNA		418	290	onooda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1
->	a-L-GalpNA		70	69	onooda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@H](O)1
->	b-D-GalpNA		11	11	onooda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1
->	?-D-GalpNA		3	3	onooda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1
->	a-?-GalpNA		2	2	onooda	2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@H](O)1
->	b-L-GalpNA		2	2	onooda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@@H](O)1
->	?-?-GalpNA		2	2	onooda	2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[CH](O)1
Glc	hex	ald	19591	4101	111112	1	?2122h	glucose
->	b-D-Glcp		24190	14429	oooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	a-D-Glcp		9427	5398	oooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-D-Glcp		870	632	oooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1
->	?-D-Glc?		235	227	?oo??o	3	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[CH]=O
->	b-?-Glcp		136	67	oooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-?-Glc?		112	25	?oo??o	6	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[CH]=O ; [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[CH]=O
->	a-?-Glcp		85	56	oooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	b-?-Glc?		82	25	?oo??o	4	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-?-Glcp		64	39	oooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1
->	a-D-Glc?		58	42	?oo??o	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-D-Glc?		50	50	?oo??o	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	a-?-Glc?		24	20	?oo??o	4	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)1
->	b-D-Glcf		11	5	ooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	a-D-Glcf		4	3	ooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	a-L-Glcp		3	3	oooodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	b-L-Glcp		2	2	oooodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-L-Glcp		1	1	oooodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1
Glc1N	hex	ald	20	16	111112	1	?2122h_1*N	1-amino-1-deoxyglucose (used for N-glycans)
->	b-D-Glcp1N		49	49	nooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](N)1
->	?-D-Glcp1N		7	7	nooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](N)1
Glc1S	hex	ald	10	2	111112	1	?2122m_1*S	1-thioglucose (with C-SH bond)
->	b-D-Glcp1S		59	59	hooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](S)1
->	?-D-Glcp1S		8	8	hooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](S)1
Glc3N	hex	ald	2	2	111112	1	?2122h_3*N	3-amino-3-deoxy-glucose (kanosamine when D)
->	a-D-Glcp3N		6	6	oonodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@@H](O)1
Glc3NA	hex	ald	1	1	111110	1	?2122A_3*N	3-amino-3-deoxyglucuronic acid
->	b-D-Glcp3NA		17	10	oonoda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)1
Glc6N	hex	ald	2	2	111112	1	?2122h_6*N	6-amino-6-deoxyglucose
->	a-D-Glcp6N		3	3	oooodn	1	[CH2](N)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-D-Glcp6N		1	1	oooodn	1	[CH2](N)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1
GlcA	hex	ald	1781	736	111110	1	?2122A	glucuronic acid
->	b-D-GlcpA		3042	2687	ooooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	a-D-GlcpA		737	688	ooooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-D-GlcpA		77	58	ooooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1
->	b-?-GlcpA		44	33	ooooda	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	b-D-Glc?A		14	14	?oo??a	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	?-?-GlcpA		10	6	ooooda	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1
->	a-?-GlcpA		10	10	ooooda	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	?-D-Glc?A		7	7	?oo??a	3	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[CH]=O
->	?-?-Glc?A		6	4	?oo??a	4	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [C](=O)(O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](O)[CH](O)1
->	b-?-Glc?A		3	3	?oo??a	4	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ; [C](=O)(O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
->	a-L-GlcpA		2	2	ooooda	1	[C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	D-GlcaA		1	1	Aooooa	1	[C](=O)(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[CH]=O
GlcN	hex	ald	9583	2879	111112	1	?2122h_2*N	2-amino-2-deoxyglucose
->	b-D-GlcpN		9496	6795	onoodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1
->	a-D-GlcpN		4612	4084	onoodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1
->	?-D-GlcpN		595	541	onoodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1
->	?-D-Glc?N		342	340	?no??o	3	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[CH]=O
->	b-D-Glc?N		77	70	?no??o	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[C@H](O)1
->	a-D-Glc?N		54	54	?no??o	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[C@@H](O)1
->	b-?-GlcpN		41	25	onoodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](O)1
->	b-?-Glc?N		35	26	?no??o	4	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](N)[C@@H](O)1
->	?-?-GlcpN		20	18	onoodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[CH](O)1
->	a-?-GlcpN		20	20	onoodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@H](O)1
->	?-?-Glc?N		15	15	?no??o	6	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[CH]=O ; [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](N)[CH]=O
->	a-?-Glc?N		11	11	?no??o	4	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[C@@H](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](N)[C@H](O)1
->	a-L-GlcpN		1	1	onoodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@H](O)1
->	b-L-GlcpN		1	1	onoodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](O)1
->	b-?-GlcfN		1	1	onodoo	2	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](N)[C@@H](O)1
GlcN1N	hex	ald	83	59	111112	1	?2122h_1*N_2*N	1,2-diamino-1,2-dideoxyglucose (used for N-glycans)
->	b-D-GlcpN1N		207	207	nnoodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](N)1
->	?-D-GlcpN1N		57	57	nnoodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](N)1
->	?-D-Glc?N1N		12	12	nno??o	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](N)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[CH](N)1
->	b-D-Glc?N1N		6	6	nno??o	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](N)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[C@H](N)1
->	?-?-Glc?N1N		5	5	nno??o	4	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](N)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[CH](N)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[CH](N)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](N)[CH](N)1
->	b-?-Glc?N1N		4	4	nno??o	4	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](N)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](N)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[C@H](N)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](N)[C@@H](N)1
->	a-D-GlcpN1N		1	1	nnoodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](N)1
->	?-?-GlcpN1N		1	1	nnoodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](N)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[CH](N)1
GlcN3N	hex	ald	119	57	111112	1	?2122h_2*N_3*N	2,3-diamino-2,3-dideoxyglucose
->	b-D-GlcpN3N		90	87	onnodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@H](O)1
->	a-D-GlcpN3N		69	69	onnodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@@H](O)1
->	?-D-GlcpN3N		4	3	onnodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[CH](O)1
->	?-D-Glc?N3N		1	1	?nn??o	3	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](N)[C@@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](N)[C@@H](N)[CH]=O
GlcN3NA	hex	ald	155	60	111110	1	?2122A_2*N_3*N	2,3-diamino-2,3-dideoxyglucuronic acid
->	b-D-GlcpN3NA		164	137	onnoda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@H](O)1
->	a-D-GlcpN3NA		9	9	onnoda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@@H](O)1
->	?-D-GlcpN3NA		6	6	onnoda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[CH](O)1
->	b-L-GlcpN3NA		2	2	onnoda	1	[C](=O)(O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](N)[C@@H](O)1
->	b-?-GlcpN3NA		1	1	onnoda	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@H](O)1 ; [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](N)[C@@H](O)1
GlcNA	hex	ald	44	25	111110	1	?2122A_2*N	2-amino-2-deoxyglucuronic acid
->	b-D-GlcpNA		44	36	onooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1
->	a-D-GlcpNA		32	32	onooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1
->	a-D-Glc?NA		1	1	?no??a	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[C@@H](O)1
->	b-D-Glc?NA		1	1	?no??a	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[C@H](O)1
->	?-D-GlcpNA		1	1	onooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1
->	b-L-GlcpNA		1	1	onooda	1	[C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](O)1
->	?-D-Glc?NA		1	1	?no??a	3	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[CH]=O
->	?-?-Glc?NA		1	1	?no??a	4	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[CH](O)1 ; [C](=O)(O)[C@H](O)[C@H](O1)[C@@H](O)[C@H](N)[CH](O)1
Gul	hex	ald	1	1	111112	1	?2212h	gulose
->	a-L-Gulp		5	5	oooodo	1	[CH2](O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1
->	?-D-Gulp		2	2	oooodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1
->	a-D-Gulp		1	1	oooodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1
->	b-L-Gulp		1	1	oooodo	1	[CH2](O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1
GulA	hex	ald	21	9	111110	1	?2212A	guluronic acid
->	a-L-GulpA		71	59	ooooda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1
->	?-L-Gul?A		6	6	?oo??a	3	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [C](=O)(O)[C@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH](O)1 ; [C](=O)(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH]=O
->	a-L-Gul?A		3	2	?oo??a	2	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ; [C](=O)(O)[C@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1
->	b-D-GulpA		2	2	ooooda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
->	b-L-GulpA		1	1	ooooda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1
GulN3N	hex	ald	0	0	111112	1	?2212h_2*N_3*N	2,3-diamino-2,3-dideoxygulose
GulN3NA	hex	ald	11	5	111110	1	?2212A_2*N_3*N	2,3-diamino-2,3-dideoxyguluronic acid
->	a-L-GulpN3NA		36	35	onnoda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](N)[C@H](N)[C@H](O)1
->	?-L-GulpN3NA		2	2	onnoda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](N)[C@H](N)[CH](O)1
->	b-D-GulpN3NA		2	2	onnoda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@@H](N)[C@@H](N)[C@H](O)1
GulNA	hex	ald	17	17	111110	1	?2212A_2*N	2-amino-2-deoxyguluronic acid
->	a-L-GulpNA		43	39	onooda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)1
->	b-L-GulpNA		1	1	onooda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)1
IdoA	hex	ald	18	7	111110	1	?1212A	iduronic acid
->	a-L-IdopA		19	19	ooooda	1	[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	?-?-Ido?A		2	2	?oo??a	4	[C](=O)(O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@H](O1)[C@@H](O)[C@H](O)[CH](O)1 ; [C](=O)(O)[C@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[CH](O)1
->	a-?-IdopA		1	1	ooooda	2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	a-D-IdopA		1	1	ooooda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-?-IdopA		1	1	ooooda	2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1
IdoN3N	hex	ald	0	0	111112	1	?1212h_2*N_3*N	2,3-diamino-2,3-dideoxyidose
LDidoHep	hep*	ald	3	3	1111112	1	?12121h	L-glycero-D-ido-heptose
->	a-LDidoHepp		5	5	oooodoo	1	[CH2](O)[C@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
LDmanHep	hep*	ald	1168	224	1111112	1	?11221h	L-glycero-D-manno-heptose
->	a-LDmanHepp		5999	2306	oooodoo	1	[CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1
->	?-LDmanHepp		74	43	oooodoo	1	[CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1
->	a-LDmanHep?		49	31	?oo??oo	2	[CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)1
->	?-LDmanHep?		32	30	?oo??oo	3	[CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@H](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH]=O
->	b-LDmanHepp		19	19	oooodoo	1	[CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1
Lincose1SMe6N	non*	ald	0	0	111111133	6	a211222m_1*SC_6*N	6-amino-6,8-dideoxy-1-methylthio-D-erythro-D-galactose (methyl-thio-lincosamide)
LLmanHep	hep*	ald	144	12	1111112	1	?22111h	L-glycero-L-manno-heptose
->	a-LLmanHepp		57	12	oooodoo	1	[CH2](O)[C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
Lyx	pen	ald	5	4	11112	1	?112h	lyxose
->	a-D-Lyxp		11	10	ooood	1	[CH2](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1
->	b-D-Lyxp		8	5	ooood	1	[CH2](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1
->	a-L-Lyxp		4	4	ooood	1	[CH2](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
->	?-L-Lyxp		1	1	ooood	1	[CH2](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1
Man	hex	ald	21489	2458	111112	1	?1122h	mannose
->	a-D-Manp		19510	5118	oooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1
->	b-D-Manp		4236	2955	oooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1
->	a-?-Manp		751	236	oooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
->	?-D-Manp		590	377	oooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1
->	a-?-Man?		223	53	?oo??o	4	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1
->	?-D-Man?		176	175	?oo??o	3	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH]=O
->	b-?-Manp		138	116	oooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1
->	a-D-Man?		127	83	?oo??o	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)1
->	a-L-Manp		92	86	oooodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
->	?-?-Manp		49	41	oooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1
->	?-?-Man?		33	18	?oo??o	4	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[CH](O)1
->	b-?-Man?		29	19	?oo??o	4	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)1
->	b-D-Man?		19	19	?oo??o	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1
->	a-L-Man?		15	3	?oo??o	2	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1
->	b-D-Manf		10	6	ooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1
->	b-L-Manp		8	8	oooodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1
->	a-D-Manf		4	4	ooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)1
->	?-L-Man?		3	3	?oo??o	3	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH]=O
->	?-L-Manp		1	1	oooodo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1
->	a-?-Manf		1	1	ooodoo	2	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1
->	b-?-Manf		1	1	ooodoo	2	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1 ; [CH2](O)[C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)1
Man1N	hex	ald	7	3	111112	1	?1122h_1*N	1-amino-1-deoxymannose
->	a-D-Manp1N		15	15	nooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)1
->	?-D-Manp1N		12	12	nooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](N)1
->	b-?-Manp1N		3	3	nooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](N)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](N)1
->	b-D-Manp1N		3	3	nooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](N)1
->	b-D-Man?1N		1	1	noo??o	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](N)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](N)1
ManA	hex	ald	36	13	111110	1	?1122A	mannuronic acid
->	b-D-ManpA		100	67	ooooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1
->	?-D-ManpA		4	2	ooooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1
->	?-D-Man?A		1	1	?oo??a	3	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH]=O
->	a-D-ManpA		1	1	ooooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1
->	b-D-Man?A		1	1	?oo??a	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1
->	?-L-ManpA		1	1	ooooda	1	[C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1
ManN	hex	ald	596	133	111112	1	?1122h_2*N	2-amino-2-deoxymannose
->	b-D-ManpN		279	225	onoodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)1
->	a-D-ManpN		109	80	onoodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)1
->	b-?-ManpN		28	7	onoodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](N)[C@@H](O)1
->	?-D-ManpN		16	16	onoodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[CH](O)1
->	?-?-ManpN		1	1	onoodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](N)[CH](O)1
ManN3N	hex	ald	0	0	111112	1	?1122h_2*N_3*N	2,3-diamino-2,3-dideoxymannose
ManN3NA	hex	ald	102	34	111110	1	?1122A_2*N_3*N	2,3-diamino-2,3-dideoxymannuronic acid
->	b-D-ManpN3NA		215	148	onnoda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[C@H](O)1
->	a-D-ManpN3NA		2	2	onnoda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[C@@H](O)1
->	?-D-ManpN3NA		1	1	onnoda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[CH](O)1
->	?-?-ManpN3NA		1	1	onnoda	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[CH](O)1 ; [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](N)[C@@H](N)[CH](O)1
ManNA	hex	ald	182	66	111110	1	?1122A_2*N	2-amino-2-deoxymannuronic acid
->	b-D-ManpNA		168	147	onooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)1
->	?-D-ManpNA		4	3	onooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[CH](O)1
->	a-D-ManpNA		3	3	onooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)1
->	b-D-Man?NA		2	2	?no??a	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)1 ; [C](=O)(O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](N)[C@H](O)1
->	?-?-ManpNA		2	1	onooda	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[CH](O)1 ; [C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](N)[CH](O)1
Mur	non*	ald	18	13	111112103	1	?2122h_2*N_3*OC^RCO/4=O/3C	2-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (muramic acid)
->	b-Murp		86	62	onxododad	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@H](O)1
->	a-Murp		78	78	onxododad	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@@H](O)1
->	?-Mur?		30	26	?nx??odad	3	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH]=O
->	?-Murp		24	20	onxododad	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH](O)1
->	b-Mur?		5	5	?nx??odad	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@H](O)1
->	Mura		4	4	Anxooodad	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH]=O
->	a-Mur?		2	2	?nx??odad	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@@H](O)1 ; [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@@H](O)1
Myc	oct*	ald	0	0	11111333	1	?2122m_3*NC/2C	3-dimethylamino-3,6-dideoxy-D-glucose (mycaminose)
Oli	hex	ald	14	10	121113	1	?d122m	2,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose
->	b-D-Olip		314	211	odoodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1
->	b-?-Olip		39	22	odoodd	2	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](O)[CH2][C@@H](O)1
->	a-L-Olip		20	19	odoodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[CH2][C@H](O)1
->	a-D-Olip		11	11	odoodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@@H](O)1
->	?-D-Oli?		2	2	?do??d	3	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][CH](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@H](O)[CH2][CH](O)1 ; [CH3][C@@H](O)[C@@H](O)[C@H](O)[CH2][CH]=O
->	a-?-Olip		1	1	odoodd	2	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](O)[CH2][C@H](O)1
->	?-D-Olip		1	1	odoodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][CH](O)1
Par	hex*	ald	83	16	112113	1	?2d22m	3,6-dideoxy-D-ribo-hexose (paratose), 3dQui=3,6dAll
->	a-Parp		44	39	oododd	1	[CH3][C@@H](O1)[C@@H](O)[CH2][C@@H](O)[C@@H](O)1
->	b-Parf		11	11	ooddod	1	[CH3][C@@H](O)[C@@H](O1)[CH2][C@@H](O)[C@H](O)1
->	b-Parp		9	9	oododd	1	[CH3][C@@H](O1)[C@@H](O)[CH2][C@@H](O)[C@H](O)1
->	a-Parf		3	3	ooddod	1	[CH3][C@@H](O)[C@@H](O1)[CH2][C@@H](O)[C@@H](O)1
->	?-Par?		2	2	?od??d	2	[CH3][C@@H](O1)[C@@H](O)[CH2][C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O1)[CH2][C@@H](O)[CH](O)1
->	a-Par?		2	2	?od??d	2	[CH3][C@@H](O1)[C@@H](O)[CH2][C@@H](O)[C@@H](O)1 ; [CH3][C@@H](O)[C@@H](O1)[CH2][C@@H](O)[C@@H](O)1
->	?-Parp		1	1	oododd	1	[CH3][C@@H](O1)[C@@H](O)[CH2][C@@H](O)[CH](O)1
Pau4CHe	oct	ald	25	10	12101313	1	?d112m_4*1CC/2O*2	2,6-dideoxy-4C-(1-hydroxyethyl)-lyxo-hexose (paulomycose, default: L, stereo at C7 unknown)
->	a-L-Paup4CHe		23	23	odooddod	1	[CH3][CH](O)[C@@]1(O)[C@H]([CH2])O[C@@H](O)[CH2][C@@H]1O
Qui	hex	ald	4	3	111113	1	?2122m	6-deoxyglucose (quinovose) (3-O-methyl derivative = thevetose)
->	b-D-Quip		204	177	oooodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	a-L-Quip		14	14	oooodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	?-D-Qui?		7	7	?oo??d	3	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[CH]=O
->	a-D-Quip		5	5	oooodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-L-Quip		3	3	oooodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	b-D-Qui?		1	1	?oo??d	2	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	?-D-Quip		1	1	oooodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1
Qui1N4N	hex	ald	2	1	111113	1	?2122m_1*N_4*N	1,4-diamino-1,4,6-trideoxyglucopyranose
->	b-D-Quip1N4N		1	1	noondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@H](N)1
Qui3N	hex	ald	71	54	111113	1	?2122m_3*N	3-amino-3,6-dideoxyglucose
->	b-D-Quip3N		139	126	oonodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)1
->	a-D-Quip3N		45	45	oonodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@@H](O)1
->	b-L-Quip3N		16	9	oonodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](N)[C@H](O)[C@@H](O)1
->	b-D-Qui?3N		2	2	?on??d	2	[CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@H](N)[C@@H](O)[C@H](O)1
->	b-?-Quip3N		2	2	oonodd	2	[CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](N)[C@H](O)[C@@H](O)1
->	?-D-Qui?3N		2	2	?on??d	3	[CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@H](N)[C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O)[C@H](N)[C@@H](O)[CH]=O
->	?-D-Quip3N		2	2	oonodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[CH](O)1
->	a-L-Quip3N		1	1	oonodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](N)[C@H](O)[C@H](O)1
->	a-?-Quip3N		1	1	oonodd	2	[CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](N)[C@H](O)[C@H](O)1
Qui4N	hex	ald	80	44	111113	1	?2122m_4*N	4-amino-4,6-dideoxyglucose (viosamine if D)
->	b-D-Quip4N		178	175	ooondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)1
->	a-D-Quip4N		37	36	ooondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-D-Quip4N		8	8	ooondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[CH](O)1
->	b-D-Qui?4N		4	4	?oon?d	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)1
->	b-?-Quip4N		2	2	ooondd	2	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH3][C@H](O1)[C@H](N)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-?-Quip4N		2	2	ooondd	2	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@H](O1)[C@H](N)[C@@H](O)[C@H](O)[CH](O)1
->	a-D-Qui?4N		1	1	?oon?d	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@@H](O)1
->	?-D-Qui?4N		1	1	?oon?d	2	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](N)[C@H](O)[C@@H](O)[CH]=O
QuiN	hex	ald	256	134	111113	1	?2122m_2*N	2-amino-2,6-dideoxyglucose
->	b-D-QuipN		253	248	onoodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1
->	a-L-QuipN		118	83	onoodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@H](O)1
->	a-D-QuipN		109	101	onoodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1
->	?-D-QuipN		16	13	onoodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1
->	b-L-QuipN		9	9	onoodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](O)1
->	?-D-Qui?N		6	6	?no??d	3	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@H](O)[C@@H](N)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[CH]=O
->	?-?-QuipN		2	2	onoodd	2	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[CH](O)1
->	b-?-QuipN		2	2	onoodd	2	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](O)1
QuiN1N4N	hex	ald	1	1	111113	1	?2122m_1*N_2*N_4*N	1,2,4-triamino-1,2,4,6-tetradeoxyglucopyranose (used for N-glycans)
->	b-D-QuipN1N4N		2	2	nnondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@H](N)1
->	a-D-QuipN1N4N		1	1	nnondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@@H](N)1
QuiN4N	hex	ald	261	114	111113	1	?2122m_2*N_4*N	2,4-diamino-2,4,6-trideoxyglucose (bacillosamine)
->	b-D-QuipN4N		211	206	onondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@H](O)1
->	a-D-QuipN4N		86	83	onondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@@H](O)1
->	?-D-QuipN4N		7	7	onondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[CH](O)1
->	?-D-Qui?N4N		5	5	?non?d	2	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[CH](O)1 ; [CH3][C@@H](O)[C@@H](N)[C@H](O)[C@@H](N)[CH]=O
->	a-D-Qui?N4N		3	3	?non?d	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@@H](O)1
->	?-?-QuipN4N		2	2	onondd	2	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[CH](O)1 ; [CH3][C@H](O1)[C@H](N)[C@@H](O)[C@H](N)[CH](O)1
->	a-?-QuipN4N		1	1	onondd	2	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@@H](O)1 ; [CH3][C@H](O1)[C@H](N)[C@@H](O)[C@H](N)[C@H](O)1
->	a-L-QuipN4N		1	1	onondd	1	[CH3][C@H](O1)[C@H](N)[C@@H](O)[C@H](N)[C@H](O)1
Rha	hex	ald	5125	1312	111113	1	?1122m	6-deoxymannose (rhamnose)
->	a-L-Rhap		9564	5899	oooodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
->	a-D-Rhap		677	292	oooodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1
->	b-L-Rhap		606	546	oooodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1
->	?-L-Rhap		176	126	oooodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1
->	?-?-Rhap		175	78	oooodd	2	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1
->	b-D-Rhap		123	103	oooodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1
->	a-?-Rhap		116	69	oooodd	2	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
->	?-L-Rha?		81	81	?oo??d	3	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH]=O
->	a-L-Rha?		33	32	?oo??d	2	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 ; [CH3][C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1
->	b-?-Rhap		18	14	oooodd	2	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1
->	?-?-Rha?		17	14	?oo??d	6	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH](O)1 ; [CH3][C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH]=O ; [CH3][C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH]=O
->	b-L-Rha?		4	4	?oo??d	2	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 ; [CH3][C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)1
->	?-D-Rha?		4	4	?oo??d	3	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH]=O
->	L-Rhaa		4	4	Aooood	1	[CH3][C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH]=O
->	a-?-Rha?		3	3	?oo??d	4	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH3][C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1
->	b-?-Rha?		2	2	?oo??d	4	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1 ; [CH3][C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)1
->	?-D-Rhap		2	2	oooodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1
->	b-L-Rhaf		1	1	ooodod	1	[CH3][C@H](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)1
->	a-D-Rha?		1	1	?oo??d	2	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH3][C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)1
Rha3CMe	hep	ald	3	2	1101133	1	?1522m_3*C	3-C-methylrhamnose (evalose)
->	b-D-Rhap3CMe		5	3	ooooddd	1	[CH3][C@@H](O1)[C@@H](O)[C@]([CH3])(O)[C@H](O)[C@H](O)1
->	a-L-Rhap3CMe		3	3	ooooddd	1	[CH3][C@H](O1)[C@H](O)[C@@]([CH3])(O)[C@@H](O)[C@H](O)1
->	b-?-Rhap3CMe		2	1	ooooddd	2	[CH3][C@@H](O1)[C@@H](O)[C@]([CH3])(O)[C@H](O)[C@H](O)1 ; [CH3][C@H](O1)[C@H](O)[C@@]([CH3])(O)[C@@H](O)[C@@H](O)1
Rha3N	hex	ald	13	7	111113	1	?1122m_3*N	3-amino-3,6-dideoxymannose (mycosamine if D)
->	b-D-Rhap3N		13	13	oonodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@H](O)[C@H](O)1
Rha4N	hex	ald	263	28	111113	1	?1122m_4*N	4-amino-4,6-dideoxymannose (perosamine if D)
->	a-D-Rhap4N		424	178	ooondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](O)[C@@H](O)1
->	b-D-Rhap4N		19	19	ooondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](O)[C@H](O)1
->	a-L-Rhap4N		16	12	ooondd	1	[CH3][C@H](O1)[C@H](N)[C@@H](O)[C@@H](O)[C@H](O)1
->	a-D-Rha?4N		10	4	?oon?d	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](O)[C@@H](O)1
->	a-?-Rhap4N		7	3	ooondd	2	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH3][C@H](O1)[C@H](N)[C@@H](O)[C@@H](O)[C@H](O)1
->	?-D-Rhap4N		1	1	ooondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](O)[CH](O)1
RhaN	hex	ald	13	7	111113	1	?1122m_2*N	2-amino-2,6-dideoxymannose
->	a-L-RhapN		7	7	onoodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](N)[C@H](O)1
->	b-L-RhapN		3	3	onoodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](N)[C@@H](O)1
->	a-D-RhapN		3	2	onoodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)1
->	?-L-Rha?N		1	1	?no??d	3	[CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](N)[CH](O)1 ; [CH3][C@H](O)[C@H](O1)[C@@H](O)[C@@H](N)[CH](O)1 ; [CH3][C@H](O)[C@H](O)[C@@H](O)[C@@H](N)[CH]=O
RhaN3N	hex	ald	12	8	111113	1	?1122m_2*N_3*N	2,3-diamino-2,3,6-trideoxymannose
->	b-L-RhapN3N		20	20	onnodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](N)[C@@H](N)[C@@H](O)1
->	?-L-RhapN3N		1	1	onnodd	1	[CH3][C@H](O1)[C@H](O)[C@@H](N)[C@@H](N)[CH](O)1
->	b-D-RhapN3N		1	1	onnodd	1	[CH3][C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[C@H](O)1
RhaN4N	hex	ald	2	2	111113	1	?1122m_2*N_4*N	2,4-diamino-2,4,6-trideoxymannose
->	a-D-Rha?N4N		1	1	?non?d	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](N)[C@@H](O)1
->	a-D-RhapN4N		1	1	onondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](N)[C@@H](O)1
->	b-D-RhapN4N		1	1	onondd	1	[CH3][C@@H](O1)[C@@H](N)[C@H](O)[C@H](N)[C@H](O)1
Rho	hex*	ald	14	10	122113	1	?dd21m	2,3,6-trideoxy-L-threo-hexose (rhodinose)
->	a-Rhop		47	32	oddodd	1	[CH3][C@H](O1)[C@@H](O)[CH2][CH2][C@H](O)1
->	b-Rhop		2	2	oddodd	1	[CH3][C@H](O1)[C@@H](O)[CH2][CH2][C@@H](O)1
Rhon	oct	ald	3	3	12111333	1	?d112m_3*NC/2C	3-dimethylamino-2,3,6-trideoxy-lyxo-hexose (rhodosamine)
->	a-L-Rhonp		29	24	odnodddd	1	[CH3][C@H](O1)[C@@H](O)[C@@H](N([CH3])[CH3])[CH2][C@H](O)1
->	?-D-Rhonp		1	1	odnodddd	1	[CH3][C@@H](O1)[C@H](O)[C@H](N([CH3])[CH3])[CH2][CH](O)1
->	a-D-Rhonp		1	1	odnodddd	1	[CH3][C@@H](O1)[C@H](O)[C@H](N([CH3])[CH3])[CH2][C@@H](O)1
Rib	pen	ald	350	154	11112	1	?222h	ribose
->	b-D-Ribf		294	239	ooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1
->	a-D-Ribf		63	60	ooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)1
->	b-D-Ribp		45	43	ooood	1	[CH2](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
->	?-D-Rib?		5	5	?oo??	3	[CH2](O1)[C@@H](O)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@@H](O)[C@@H](O)[CH]=O
->	a-?-Ribf		5	5	ooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@H](O)[C@H](O)1
->	b-?-Ribf		4	4	ooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)1
->	?-D-Ribf		4	4	ooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[CH](O)1
->	b-?-Ribp		2	1	ooood	2	[CH2](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)1
->	?-?-Ribf		1	1	ooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@H](O)[C@H](O)[CH](O)1
->	?-D-Ribp		1	1	ooood	1	[CH2](O1)[C@@H](O)[C@@H](O)[C@@H](O)[CH](O)1
RibA	pen	ald	1	1	11110	1	?222A	riburonic acid
->	a-D-RibfA		2	2	oooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)1
->	?-D-RibfA		1	1	oooda	1	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@@H](O)[CH](O)1
Tal	hex	ald	1	1	111112	1	?1112h	talose
->	a-L-Talp		4	4	oooodo	1	[CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
->	a-D-Talp		3	3	oooodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)1
->	a-?-Talp		2	2	oooodo	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1
TalA	hex	ald	0	0	111110	1	?1112A	taluronic acid
TalN3N	hex	ald	0	0	111112	1	?1112h_2*N_3*N	2,3-diamino-2,3-dideoxytalose
TalNA	hex	ald	0	0	111110	1	?1112A_2*N	2-amino-2-deoxytaluronic acid
Thre	tet	ald	0	0	1112	1	?12h	threose
ThreN	tet	ald	0	0	1112	1	?12h_2*N	2-amino-2-deoxythreose
Tyv	hex*	ald	43	19	112113	1	?1d22m	3,6-dideoxy-D-arabino-hexose (tyvelose), 3dRha=3,6dAlt
->	a-Tyvp		86	76	oododd	1	[CH3][C@@H](O1)[C@@H](O)[CH2][C@H](O)[C@@H](O)1
->	b-Tyvp		4	4	oododd	1	[CH3][C@@H](O1)[C@@H](O)[CH2][C@H](O)[C@H](O)1
->	?-Tyvp		2	2	oododd	1	[CH3][C@@H](O1)[C@@H](O)[CH2][C@H](O)[CH](O)1
->	?-Tyv?		1	1	?od??d	2	[CH3][C@@H](O1)[C@@H](O)[CH2][C@H](O)[CH](O)1 ; [CH3][C@@H](O)[C@@H](O1)[CH2][C@H](O)[CH](O)1
Xyl	pen	ald	946	228	11112	1	?212h	xylose
->	b-D-Xylp		3346	2216	ooood	1	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1
->	a-D-Xylp		808	352	ooood	1	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-?-Xylp		147	116	ooood	2	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-D-Xylp		133	109	ooood	1	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1
->	b-L-Xylp		73	38	ooood	1	[CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-D-Xyl?		56	54	?oo??	3	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O)[C@@H](O)[CH]=O
->	b-D-Xyl?		42	26	?oo??	2	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	?-?-Xylp		40	27	ooood	2	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1
->	b-?-Xyl?		18	7	?oo??	4	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
->	?-?-Xyl?		10	8	?oo??	6	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@H](O)[CH](O)1 ; [CH2](O)[C@@H](O)[C@H](O)[C@@H](O)[CH]=O ; [CH2](O)[C@H](O)[C@@H](O)[C@H](O)[CH]=O
->	a-?-Xylp		10	10	ooood	2	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ; [CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	b-D-Xylf		6	6	ooodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1
->	?-L-Xylp		4	1	ooood	1	[CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1
->	a-D-Xylf		3	3	ooodo	1	[CH2](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1
->	b-L-Xyl?		3	1	?oo??	2	[CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ; [CH2](O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
->	a-L-Xylp		2	1	ooood	1	[CH2](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1
->	D-Xyla		1	1	Aoooo	1	[CH2](O)[C@@H](O)[C@H](O)[C@@H](O)[CH]=O
->	b-L-Xylf		1	1	ooodo	1	[CH2](O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1
xylHex-4-ulo	hex	ald	0	0	111012	1	?21U2h	xylo-hexos-4-ulose
Yer	oct*	ald	9	6	11201313	1	?2d12m_4*1C^SC/2O*2	3,6-dideoxy-4-C-[(S)-1-hydroxyethyl]-D-xylo-hexose (yersiniose or yersiniose A)
->	a-Yerp		13	12	oodxddod	1	[CH3][C@@H](O1)[C@]([C@@H](O)[CH3])(O)[CH2][C@@H](O)[C@@H](O)1
->	b-Yerp		10	10	oodxddod	1	[CH3][C@@H](O1)[C@]([C@@H](O)[CH3])(O)[CH2][C@@H](O)[C@H](O)1
->	a-Yer?		3	2	?odx?dod	1	[CH3][C@@H](O1)[C@]([C@@H](O)[CH3])(O)[CH2][C@@H](O)[C@@H](O)1
->	b-Yer?		1	1	?odx?dod	1	[CH3][C@@H](O1)[C@]([C@@H](O)[CH3])(O)[CH2][C@@H](O)[C@H](O)1
2,7anhSed	hep	ket	0	0	2011112	2	h?1222h_2-7	2,7-anhydro-altro-hept-2-ulopyranose (sedoheptulosan if D)
3dlyxHep-ulosaric	hep	ket	1	1	0021110	2	A?d112A	3-deoxy-lyxo-hept-2-ulosaric acid (Dha_A when D)
->	a-D-3dlyxHepp-ulosaric		15	9	aodooda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O)
->	?-?-3dlyxHepp-ulosaric		8	6	aodooda	2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O) ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[CH2][C](O)1[C](=O)(O)
->	a-?-3dlyxHepp-ulosaric		7	7	aodooda	2	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O) ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
->	?-D-3dlyxHepp-ulosaric		6	6	aodooda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O)
->	b-D-3dlyxHepp-ulosaric		3	3	aodooda	1	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@](O)1[C](=O)(O)
->	?-?-3dlyxHep?-ulosaric		1	1	a?do??a	6	[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O) ; [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[CH2][C](O)1[C](=O)(O) ; [C](=O)(O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C](O)1[C](=O)(O) ; [C](=O)(O)[C@H](O)[C@@H](O1)[C@@H](O)[CH2][C](O)1[C](=O)(O) ; [C](=O)(O)[C@@H](O)[C@H](O)[C@H](O)[CH2][C](=O)[C](=O)(O) ; [C](=O)(O)[C@H](O)[C@@H](O)[C@@H](O)[CH2][C](=O)[C](=O)(O)
3dthrHex-ulosonic	hex	ket	1	1	002112	2	A?d12h	3-deoxy-threo-hex-2-ulosonic acid
->	b-D-3dthrHex?-ulosonic		1	1	a?do??	2	[CH2](O1)[C@@H](O)[C@H](O)[CH2][C@](O)1[C](=O)O ; [CH2](O)[C@@H](O1)[C@H](O)[CH2][C@](O)1[C](=O)O
4,7anhKdo	oct*	ket	15	5	00211112	2	A?d1122h_4-7	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
->	?-4,7anhKdo?		4	4	a?dx??xo	3	[CH2](O)[C@@H](O2)[C@@H](O1)[C@H](O)[C@H]2[CH2][C](O)1[C](=O)(O) ; [CH2](O)[C@@H](O2)[C@@H](O)[C@H](O1)[C@H]2[CH2][C](O)1[C](=O)(O) ; [CH2](O)[C@@H](O2)[C@@H](O)[C@H](O)[C@H]2[CH2][C](=O)[C](=O)(O)
->	4,7anhKdoa		4	4	axdxooxo	1	[CH2](O)[C@@H](O2)[C@@H](O)[C@H](O)[C@H]2[CH2][C](=O)[C](=O)(O)
->	a-4,7anhKdo?		1	1	a?dx??xo	2	[CH2](O)[C@@H](O2)[C@@H](O1)[C@H](O)[C@H]2[CH2][C@@](O)1[C](=O)(O) ; [CH2](O)[C@@H](O2)[C@@H](O)[C@H](O1)[C@H]2[CH2][C@@](O)1[C](=O)(O)
4,8anhKdo	oct*	ket	3	2	00211112	2	A?d1122h_4-8	4,8-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
->	4,8anhKdoa		4	4	axdxooox	1	[CH2](O2)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2[CH2][C](=O)[C](=O)(O)
->	?-4,8anhKdo?		1	1	a?dx??ox	3	[CH2](O2)[C@@H](O)[C@@H](O1)[C@H](O)[C@H]2[CH2][C](O)1[C](=O)(O) ; [CH2](O2)[C@@H](O)[C@@H](O)[C@H](O1)[C@H]2[CH2][C](O)1[C](=O)(O) ; [CH2](O2)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2[CH2][C](=O)[C](=O)(O)
->	a-4,8anhKdop		1	1	aodxodox	1	[CH2](O2)[C@@H](O)[C@@H](O1)[C@H](O)[C@H]2[CH2][C@@](O)1[C](=O)(O)
4eLeg	non*	ket	3	2	002111113	2	A?d11122m_5*N_7*N	4-epilegionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-talo-non-2-ulosonic)
->	a-4eLegp		8	8	aodondnod	1	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O)
->	a-4eLeg?		2	2	a?don?nod	1	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O)
->	?-4eLegp		2	2	aodondnod	1	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C](O)1[C](=O)(O)
->	b-4eLeg?		1	1	a?don?nod	1	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O)
->	?-4eLeg?		1	1	a?don?nod	2	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C](O)1[C](=O)(O) ; [CH3][C@@H](O)[C@@H](N)[C@H](O)[C@H](N)[C@H](O)[CH2][C](=O)[C](=O)(O)
->	b-4eLegp		1	1	aodondnod	1	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O)
8eAci	non*	ket	5	3	002111113	2	A?d21112m_5*N_7*N	8-epiacinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-altro-non-2-ulosonic)
->	?-8eAcip		5	5	aodondnod	1	[CH3][C@@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O)
->	a-8eAcip		2	2	aodondnod	1	[CH3][C@@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
->	b-8eAcip		1	1	aodondnod	1	[CH3][C@@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O)
8eLeg	non*	ket	19	10	002111113	2	A?d21121m_5*N_7*N	8-epilegionaminic (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonic)
->	a-8eLegp		52	51	aodondnod	1	[CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O)
->	b-8eLegp		6	6	aodondnod	1	[CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
->	?-8eLegp		5	5	aodondnod	1	[CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O)
->	?-8eLeg?		4	4	a?don?nod	2	[CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) ; [CH3][C@H](O)[C@@H](N)[C@H](O)[C@H](N)[C@@H](O)[CH2][C](=O)[C](=O)(O)
->	b-8eLeg?		1	1	a?don?nod	1	[CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
8ePse	non*	ket	3	3	002111113	2	A?d22112m_5*N_7*N	8-epipseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-manno-non-2-ulosonic)
->	?-8ePsep		2	2	aodondnod	1	[CH3][C@@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O)
->	b-8ePsep		2	2	aodondnod	1	[CH3][C@@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O)
Aci	non*	ket	13	4	002111113	2	A?d21111m_5*N_7*N	acinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-altro-non-2-ulosonic)
->	a-Acip		6	6	aodondnod	1	[CH3][C@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
->	?-Acip		4	4	aodondnod	1	[CH3][C@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O)
DD3,9dgulNon5N7N-ulosonic	non*	ket	0	0	002111113	2	A?d22122m_5*N_7*N	5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-gulo-non-2-ulosonic acid
DL3,9dgalNon5N7N-ulosonic	non*	ket	3	3	002111113	2	A?d12212m_5*N_7*N	5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-galacto-non-2-ulosonic acid
->	a-DL3,9dgalNonp5N7N-ulosonic		9	9	aodondnod	1	[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O)
->	b-DL3,9dgalNon?5N7N-ulosonic		4	4	a?don?nod	1	[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O)
->	?-DL3,9dgalNon?5N7N-ulosonic		3	3	a?don?nod	1	[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C](O)1[C](=O)(O)
->	a-DL3,9dgalNon?5N7N-ulosonic		2	2	a?don?nod	1	[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O)
->	b-DL3,9dgalNonp5N7N-ulosonic		2	2	aodondnod	1	[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O)
->	?-DL3,9dgalNonp5N7N-ulosonic		1	1	aodondnod	1	[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C](O)1[C](=O)(O)
DL3,9dglcNon5N7N-ulosonic	non*	ket	11	6	002111113	2	A?d12112m_5*N_7*N	5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-gluco-nonulosonic acid
->	b-DL3,9dglcNonp5N7N-ulosonic		6	6	aodondnod	1	[CH3][C@H]([C@@H]([C@@H]1O[C@@]([C](O)=O)([CH2][C@H]([C@@H]1N)O)O)N)O
->	a-DL3,9dglcNonp5N7N-ulosonic		1	1	aodondnod	1	[CH3][C@H]([C@@H]([C@@H]1O[C@]([C](O)=O)([CH2][C@H]([C@@H]1N)O)O)N)O
Eru	tet	ket	0	0	2012	2	hO2h	erythrulose
Fru	hex	ket	636	88	201112	2	h?122h	fructose (arabino-hex-2-ulose)
->	b-D-Fruf		587	403	oooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@](O)1[CH2](O)
->	a-D-Fruf		25	24	oooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@](O)1[CH2](O)
->	a-D-Frup		18	18	oooood	1	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)1[CH2](O)
->	b-D-Frup		11	11	oooood	1	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@](O)1[CH2](O)
->	?-D-Fru?		9	9	o?oo??	3	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C](O)1[CH2](O) ; [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C](O)1[CH2](O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C](=O)[CH2](O)
->	?-D-Fruf		7	7	oooodo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C](O)1[CH2](O)
->	?-?-Fru?		3	3	o?oo??	6	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C](O)1[CH2](O) ; [CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C](O)1[CH2](O) ; [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C](O)1[CH2](O) ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C](O)1[CH2](O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C](=O)[CH2](O) ; [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[C](=O)[CH2](O)
->	b-?-Fruf		1	1	oooodo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@](O)1[CH2](O) ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@](O)1[CH2](O)
->	?-D-Frup		1	1	oooood	1	[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C](O)1[CH2](O)
Fucl	hex	ket	0	0	201113	2	h?112m	6-deoxy-tagatose (fucolose when L)
Fus	non*	ket	12	5	002111113	2	A?d12111m_5*N	fusaminic acid (5-amino-3,5,9-trideoxy-L-glycero-L-gluco-nonulosonic)
->	b-Fusp		5	5	aodondood	1	[CH3][C@@H]([C@@H]([C@@H]1O[C@@]([C](O)=O)([CH2][C@H]([C@@H]1N)O)O)O)O
Kdn	non*	ket	31	19	002111112	2	A?d21122h	ketodeoxynononic acid (3-deoxy-D-glycero-D-galacto-non-2-ulosonic)
->	a-Kdnp		52	52	aodoodooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH2][C@@](O)1[C](=O)(O)
->	b-Kdnp		25	25	aodoodooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
->	b-Kdn?		4	4	a?do??ooo	2	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH2][C@](O)1[C](=O)(O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O1)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
->	?-Kdnp		1	1	aodoodooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH2][C](O)1[C](=O)(O)
->	?-Kdn?		1	1	a?do??ooo	3	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH2][C](O)1[C](=O)(O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O1)[C@@H](O)[CH2][C](O)1[C](=O)(O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH2][C](=O)[C](=O)(O)
Kdo	oct*	ket	919	384	00211112	2	A?d1122h	ketodeoxyoctonic acid (3-deoxy-D-manno-oct-2-ulosonic acid)
->	a-Kdop		3207	1957	aodoodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O)
->	?-Kdo?		653	639	a?do??oo	3	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C](O)1[C](=O)(O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2][C](=O)[C](=O)(O)
->	a-Kdo?		299	256	a?do??oo	2	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C@@](O)1[C](=O)(O)
->	?-Kdop		273	207	aodoodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O)
->	b-Kdop		95	88	aodoodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@](O)1[C](=O)(O)
->	b-Kdo?		28	15	a?do??oo	2	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@](O)1[C](=O)(O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C@](O)1[C](=O)(O)
->	?-Kdof		9	9	aododooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C](O)1[C](=O)(O)
->	b-Kdof		4	4	aododooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C@](O)1[C](=O)(O)
->	a-Kdof		1	1	aododooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C@@](O)1[C](=O)(O)
Kdo8N	oct*	ket	3	2	00211112	2	A?d1122h_8*N	8-amino-3,8-dideoxy-D-manno-oct-2-ulosonic acid
->	a-Kdop8N		20	20	aodoodon	1	[CH2](N)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O)
->	a-Kdo?8N		2	2	a?do??on	2	[CH2](N)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O) ; [CH2](N)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C@@](O)1[C](=O)(O)
->	?-Kdop8N		1	1	aodoodon	1	[CH2](N)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O)
->	?-Kdo?8N		1	1	a?do??on	3	[CH2](N)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O) ; [CH2](N)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C](O)1[C](=O)(O) ; [CH2](N)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2][C](=O)[C](=O)(O)
Ko	oct*	ket	39	28	00111112	2	A?11122h	ketooctonic acid (D-glycero-D-talo-oct-2-ulosonic acid)
->	a-Kop		172	172	aoooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@](O)1[C](=O)(O)
->	?-Kop		6	6	aoooodoo	1	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C](O)1[C](=O)(O)
->	a-Ko?		5	5	a?oo??oo	2	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@](O)1[C](=O)(O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@H](O)[C@@](O)1[C](=O)(O)
->	?-Ko?		2	2	a?oo??oo	3	[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C](O)1[C](=O)(O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@H](O)[C](O)1[C](=O)(O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C](=O)[C](=O)(O)
Leg	non*	ket	54	29	002111113	2	A?d21122m_5*N_7*N	legionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonic)
->	a-Legp		69	68	aodondnod	1	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O)
->	b-Legp		13	13	aodondnod	1	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
->	b-Leg?		5	5	a?don?nod	1	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
->	?-Legp		5	5	aodondnod	1	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O)
->	?-Leg?		4	4	a?don?nod	2	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) ; [CH3][C@@H](O)[C@@H](N)[C@H](O)[C@H](N)[C@@H](O)[CH2][C](=O)[C](=O)(O)
->	a-Leg?		2	2	a?don?nod	1	[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O)
Neu	non*	ket	478	124	002111112	2	A?d21122h_5*N	neuraminic acid (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic)
->	a-Neup		1058	768	aodondooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O)
->	a-Neu?		18	14	a?don?ooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O)
->	?-Neup		14	13	aodondooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O)
->	b-Neup		11	11	aodondooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
->	?-Neu?		4	4	a?don?ooo	2	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) ; [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)[CH2][C](=O)[C](=O)(O)
->	b-Neu?		1	1	a?don?ooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
Pse	non*	ket	138	65	002111113	2	A?d22111m_5*N_7*N	pseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-manno-non-2-ulosonic)
->	b-Psep		104	100	aodondnod	1	[CH3][C@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O)
->	a-Psep		65	63	aodondnod	1	[CH3][C@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
->	?-Psep		16	16	aodondnod	1	[CH3][C@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O)
->	?-Pse?		15	15	a?don?nod	2	[CH3][C@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) ; [CH3][C@H](O)[C@H](N)[C@H](O)[C@@H](N)[C@@H](O)[CH2][C](=O)[C](=O)(O)
->	a-Pse?		9	7	a?don?nod	1	[CH3][C@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O)
->	b-Pse?		7	5	a?don?nod	1	[CH3][C@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O)
Rul	pen	ket	0	0	20112	2	h?22h	erythro-pent-2-ulose (ribulose)
Sor	hex	ket	3	2	201112	2	h?212h	sorbose (xylo-hex-2-ulose)
->	a-L-Sorf		3	3	oooodo	1	[CH2](O)[C@H](O1)[C@@H](O)[C@H](O)[C@](O)1[CH2](O)
->	b-D-Sorp		1	1	oooood	1	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@](O)1[CH2](O)
Tag-onic	hex	ket	2	1	001112	2	A?112h	lyxo-hex-2-ulosonic acid
->	a-D-Tagp-onic		4	3	aooood	1	[CH2](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@](O)1[C](=O)(O)
->	b-D-Tagp-onic		2	2	aooood	1	[CH2](O1)[C@@H](O)[C@H](O)[C@H](O)[C@](O)1[C](=O)(O)
Xul	pen	ket	14	10	20112	2	h?12h	threo-pent-2-ulose (xylulose)
->	b-D-Xulf		16	11	ooood	1	[CH2](O1)[C@@H](O)[C@H](O)[C@](O)1[CH2]O
->	a-D-Xulf		5	5	ooood	1	[CH2](O1)[C@@H](O)[C@H](O)[C@@](O)1[CH2]O
->	b-L-Xulf		3	2	ooood	1	[CH2](O1)[C@H](O)[C@@H](O)[C@@](O)1[CH2]O
->	?-L-Xul?		2	2	o?oo?	2	[CH2](O1)[C@H](O)[C@@H](O)[C](O)1[CH2]O ; [CH2](O)[C@H](O)[C@@H](O)[C](=O)[CH2]O
->	b-?-Xulf		2	1	ooood	2	[CH2](O1)[C@@H](O)[C@H](O)[C@](O)1[CH2]O ; [CH2](O1)[C@H](O)[C@@H](O)[C@@](O)1[CH2]O
->	?-D-Xulf		2	1	ooood	1	[CH2](O1)[C@@H](O)[C@H](O)[C](O)1[CH2]O
->	a-L-Xul?		1	1	o?oo?	1	[CH2](O1)[C@H](O)[C@@H](O)[C@](O)1[CH2]O
->	?-D-Xul?		1	1	o?oo?	2	[CH2](O1)[C@@H](O)[C@H](O)[C](O)1[CH2]O ; [CH2](O)[C@@H](O)[C@H](O)[C](=O)[CH2]O
2,7anhmanOct-onic	oct	opn	0	0	01111112	1	Axx1122h_2-7	2,7-anhydro-manno-octonic acid
DD3,9dthraltNon-onic	non*	opn	1	1	012111113	1	A1d22212m	3,9-dideoxy-D-threo-D-altro-nononic acid
->	DD3,9dthraltNon-onic		3	3	aodoooood	1	[CH3][C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C](=O)(O)
Ery-onic	tet	opn	7	5	0112	1	A22h	erythronic acid
->	D-Ery-onic		11	11	aooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C](=O)O
->	L-Ery-onic		4	4	aooo	1	[CH2](O)[C@H](O)[C@H](O)[C](=O)O
->	?-Ery-onic		3	3	aooo	2	[CH2](O)[C@@H](O)[C@@H](O)[C](=O)O ; [CH2](O)[C@H](O)[C@H](O)[C](=O)O
GlcN-onic	hex	opn	6	2	011112	1	A2122h_2*N	2-amino-2-deoxygluconic acid
->	?-GlcN-onic		23	23	anoooo	2	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[C](=O)O ; [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](N)[C](=O)O
->	D-GlcN-onic		5	5	anoooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[C](=O)O
Gro-al	tri	opn	18	13	112	1	o2h	glyceraldehyde
->	?-Gro-al		28	28	Aoo	1	[CH2](O)[CH](O)[CH]=O
->	L-Gro-al		2	2	Aoo	1	[CH2](O)[C@H](O)[CH]=O
->	D-Gro-al		2	2	Aoo	1	[CH2](O)[C@@H](O)[CH]=O
LyxN2CMe-onic	hex	opn	0	0	001123	1	A512h_2*N_2*C	2-amino-2-deoxy-2-C-methyllyxonic acid
Man-onic	hex	opn	19	10	011112	1	A1122h	mannonic acid
->	D-Man-onic		16	16	aooooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C](=O)O
Thre-onic	tet	opn	4	4	0112	1	A12h	threonic acid
->	?-Thre-onic		5	5	aooo	2	[CH2](O)[C@@H](O)[C@H](O)[C](=O)(O) ; [CH2](O)[C@H](O)[C@@H](O)[C](=O)(O)
->	L-Thre-onic		4	4	aooo	1	[CH2](O)[C@H](O)[C@@H](O)[C](=O)(O)
->	D-Thre-onic		2	2	aooo	1	[CH2](O)[C@@H](O)[C@H](O)[C](=O)(O)
XylN-onic	pen	opn	16	3	01112	1	A212h_2*N	2-amino-2-deoxy-xylonic acid
->	L-XylN-onic		8	8	anooo	1	N[C@@H]([C@@H]([C@H]([CH2]O)O)O)[C](O)=O
1,3dgroTet-ol	tet	ol	0	0	3122	1	m2dh	1,3-dideoxy-glycero-tetritol
1dEry-ol	tet	ol	29	11	3112	1	m22h	1-deoxyerythritol
->	?-1dEry-ol		15	15	dooo	2	[CH2](O)[C@@H](O)[C@@H](O)[CH3] ; [CH2](O)[C@H](O)[C@H](O)[CH3]
->	L-1dEry-ol		5	5	dooo	1	[CH2](O)[C@H](O)[C@H](O)[CH3]
->	D-1dEry-ol		5	5	dooo	1	[CH2](O)[C@@H](O)[C@@H](O)[CH3]
1dThre-ol	tet	ol	1	1	3112	1	m12h	1-deoxythreitol
->	?-1dThre-ol		2	2	dooo	2	[CH2](O)[C@@H](O)[C@H](O)[CH3] ; [CH2](O)[C@H](O)[C@@H](O)[CH3]
1dThre3N-ol	tet	ol	0	0	3112	1	m12h_3*N	3-amino-1,3-dideoxythreitol
2,5anhMan-ol	hex	ol	10	4	211112	1	h1122h_2-5	2,5-anhydromannitol
->	D-2,5anhMan-ol		24	24	oxooxo	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H]1[CH2](O)
->	?-2,5anhMan-ol		3	3	oxooxo	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H]1[CH2](O) ; [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H]1[CH2](O)
->	L-2,5anhMan-ol		1	1	oxooxo	1	[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H]1[CH2](O)
2,7anhKdo-ol	oct	ol	0	0	01211112	2	Axd1122h_2-7	2,7-anhydro-3-deoxy-D-glycero-D-galacto/talo-octonic acid
3dgroTet-ol	tet	ol	0	0	2122	1	h2dh	3-deoxy-glycero-tetritol
4dEry-ol	tet	ol	1	1	2113	1	h22m	4-deoxyerythritol (alias for 1-deoxyerythritol ?)
->	L-4dEry-ol		5	5	dooo	1	[CH3][C@H](O)[C@H](O)[CH2](O)
->	D-4dEry-ol		1	1	dooo	1	[CH3][C@@H](O)[C@@H](O)[CH2](O)
All-ol	hex	ol	0	0	211112	1	h2222h	allitol
Alt-ol	hex	ol	0	0	211112	1	h1222h	altritol
Ara-ol	pen	ol	68	36	21112	1	h122h	arabinitol
->	D-Ara-ol		78	74	ooooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[CH2](O)
->	?-Ara-ol		20	20	ooooo	2	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[CH2](O) ; [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[CH2](O)
->	L-Ara-ol		7	7	ooooo	1	[CH2](O)[C@H](O)[C@H](O)[C@@H](O)[CH2](O)
DDidoHep-ol	hep*	ol	1	1	2111112	1	h12122h	D-glycero-D-ido-heptitol
->	DDidoHep-ol		1	1	ooooooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[CH2](O)
DDmanHep-ol	hep*	ol	6	1	2111112	1	h11222h	D-glycero-D-manno-heptitol
->	DDmanHep-ol		1	1	ooooooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O)
Ery-ol	tet	ol	372	61	2112	1	h22h	erythritol
->	D-Ery-ol		126	126	oooo	1	[CH2](O)[C@@H](O)[C@@H](O)[CH2](O)
->	?-Ery-ol		36	36	oooo	2	[CH2](O)[C@@H](O)[C@@H](O)[CH2](O) ; [CH2](O)[C@H](O)[C@H](O)[CH2](O)
->	L-Ery-ol		28	28	oooo	1	[CH2](O)[C@H](O)[C@H](O)[CH2](O)
Etg	di*	ol	7	4	22	1	hh	ethylene glycol
->	Etg		38	31	oo	1	[CH2](O)[CH2](O)
Fuc1N-ol	hex	ol	1	1	211113	1	h2112m_1*N	1-amino-1,6-dideoxy-D-galactitol
->	?-Fuc1N-ol		2	2	nooood	2	[CH3][C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH2](N) ; [CH3][C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[CH2](N)
Gal-ol	hex	ol	10	5	211112	1	h2112h	galactitol
->	D-Gal-ol		90	90	oooooo	1	[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH2](O)
->	?-Gal-ol		13	13	oooooo	2	[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH2](O) ; [CH2](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[CH2](O)
GalN-ol	hex	ol	3	3	211112	1	h2112h_2*N	2-amino-2-deoxygalactitol
->	D-GalN-ol		17	17	onoooo	1	[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH2](O)
->	?-GalN-ol		1	1	onoooo	2	[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH2](O) ; [CH2](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](N)[CH2](O)
Glc-ol	hex	ol	84	19	211112	1	h2122h	glucitol
->	D-Glc-ol		142	141	oooooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[CH2](O)
->	?-Glc-ol		13	13	oooooo	2	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[CH2](O) ; [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[CH2](O)
GlcN-ol	hex	ol	346	79	211112	1	h2122h_2*N	2-amino-2-deoxyglucitol
->	D-GlcN-ol		206	206	onoooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[CH2](O)
->	?-GlcN-ol		2	2	onoooo	2	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[CH2](O) ; [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](N)[CH2](O)
Gro	tri	ol	1141	355	212	1	h2h	glycerol
->	?-Gro		1182	958	ooo	1	[CH2](O)[CH](O)[CH2](O)
->	D-Gro		390	341	ooo	1	[CH2](O)[C@@H](O)[CH2](O)
->	L-Gro		172	134	ooo	1	[CH2](O)[C@H](O)[CH2](O)
->	S-Gro		31	20	ooo	1	[CH2](O)[C@@H](O)[CH2](O)
->	R-Gro		13	12	ooo	1	[CH2](O)[C@@H](O)[CH2](O)
GroN	tri	ol	61	20	212	1,2	h2h_2*N	2-amino-2-deoxyglycerol (2-aminopropane-1,3-diol). Always D.
->	?-GroN		49	44	ono	1	[CH2](O)[CH](N)[CH2](O)
->	D-GroN		5	5	ono	1	[CH2](O)[C@@H](N)[CH2](O)
->	L-GroN		1	1	ono	1	[CH2](O)[C@H](N)[CH2](O)
Gul-ol	hex	ol	0	0	211112	1	h2212h	gulitol
LDmanHep-ol	hep*	ol	0	0	2111112	1	h11221h	L-glycero-D-manno-heptitol
Lyx-ol	pen	ol	10	5	21112	1	h112h	lyxitol
->	D-Lyx-ol		8	8	ooooo	1	[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O)
Man-ol	hex	ol	99	59	211112	1	h1122h	mannitol
->	D-Man-ol		144	140	oooooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O)
->	?-Man-ol		29	27	oooooo	2	[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O) ; [CH2](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH2](O)
->	L-Man-ol		2	2	oooooo	1	[CH2](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH2](O)
Qui-ol	hex	ol	0	0	211113	1	h2122m	6-deoxy-glucitol (quinovitol) = 1-deoxy-gulitol
QuiN4N-ol	hex	ol	1	1	211113	1	h2122m_2*N_4*N	2,4-diamino-2,4,6-trideoxyglucitol
->	D-QuiN4N-ol		2	2	ononod	1	[CH3][C@@H](O)[C@@H](N)[C@H](O)[C@@H](N)[CH2](O)
Rha-ol	hex	ol	7	6	211113	1	h1122m	6-deoxy-D-mannitol (D-rhamnitol?), 1-deoxy-D-mannitol (L-rhamnitol?)
->	L-Rha-ol		33	33	oooood	1	[CH3][C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH2](O)
->	?-Rha-ol		8	8	oooood	2	[CH3][C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O) ; [CH3][C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH2](O)
->	D-Rha-ol		3	3	oooood	1	[CH3][C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O)
Rib-ol	pen	ol	304	135	21112	1	h222h	ribitol
->	D-Rib-ol		299	252	ooooo	1	[CH2](O)[C@@H](O)[C@@H](O)[C@@H](O)[CH2](O)
->	?-Rib-ol		147	126	ooooo	2	[CH2](O)[C@@H](O)[C@@H](O)[C@@H](O)[CH2](O) ; [CH2](O)[C@H](O)[C@H](O)[C@H](O)[CH2](O)
Tal-ol	hex	ol	0	0	211112	1	h1112h	talitol
Thre-ol	tet	ol	18	11	2112	1	h12h	threitol
->	D-Thre-ol		23	23	oooo	1	[CH2](O)[C@@H](O)[C@H](O)[CH2](O)
->	?-Thre-ol		12	12	oooo	2	[CH2](O)[C@@H](O)[C@H](O)[CH2](O) ; [CH2](O)[C@H](O)[C@@H](O)[CH2](O)
->	L-Thre-ol		5	5	oooo	1	[CH2](O)[C@H](O)[C@@H](O)[CH2](O)
Xyl-ol	pen	ol	7	7	21112	1	h212h	xylitol
->	D-Xyl-ol		8	8	ooooo	1	[CH2](O)[C@@H](O)[C@H](O)[C@@H](O)[CH2](O)
->	?-Xyl-ol		1	1	ooooo	2	[CH2](O)[C@@H](O)[C@H](O)[C@@H](O)[CH2](O) ; [CH2](O)[C@H](O)[C@@H](O)[C@H](O)[CH2](O)
DDHEP	hep*	sug	0	0		1	QQQQ22Q	superclass: DD-heptose
DEC	dec*	sug	0	0		1	QQQQQQQQQQ	superclass: decose
HEP	hep*	sug	8	1		1	QQQQQQQ	superclass: heptose
->	HEP		35	25	<ANY>	1	
Hep	hep	sug	47	12		1,2		alias: heptose
->	a-?-Hepp		59	30	???????	1	
->	?-?-Hepp		40	22	???????	1	
->	b-?-Hepp		20	11	???????	1	
->	a-?-Hep		4	1	???????	1	
->	?-D-Hepp		3	1	???????	1	
->	a-D-Hepp		2	2	???????	1	
HEX	hex*	sug	52	6		1	QQQQQQ	superclass: hexose
->	HEX		24	10	<ANY>	1	
Hex	hex	sug	6	3		1,2		alias: hexose
->	?-?-Hexp		16	8	??????	1	
->	a-D-Hexp		3	2	??????	1	
->	?-D-Hex		3	1	??????	1	
->	a-?-Hexp		2	2	??????	1	
->	?-?-Hex		2	2	??????	1	
LDHEP	hep*	sug	0	0		1	QQQQ21Q	superclass: LD-heptose
Non	non	sug	0	0		1,2		alias: nonose
NON	non*	sug	0	0		1	QQQQQQQQQ	superclass: nonose
Oct	oct	sug	0	0		1,2		alias: octose
OCT	oct*	sug	0	0		1	QQQQQQQQ	superclass: octose
Pen	pen	sug	0	0		1,2		alias: pentose
PEN	pen*	sug	0	0		1	QQQQQ	superclass: pentose
Sug		sug	219	109		1,2		alias: any monosaccharide
->	5-methylthio-xylose	(atypical)		25		1	O[C@@H]1[C@@H]([C@H]([C@@H](CSC)O1)O)O
->	Glc 1O,1C-derivative with 3,5-dihydroxybenzyl alcohol 1O,2C	(atypical)		17		1	OC[C@H]3O[C@]2(OCc1cc(O)cc(O)c12)[C@H](O)[C@@H](O)[C@@H]3O
->	6-deoxy-3-hydroxy-arabino-hexose	(atypical)		14		1	C[C@H]1O[C@@H](O)[C@@H](O)C(O)(O)[C@@H]1O
->	anhKdo	(atypical)		10		0	
->	xylo-hexos-4-ulose derivative	(atypical)		10		3	CC2([C@H]1CO1)O[C@@]34OC2O[C@@H]3[C@@H](O)[C@@H](O)O[C@@H]4CO ; CC1(O[C@@]23OC1O[C@@H]2[C@H]([C@H](O[C@@H]3CO)O)O)CCCl ; CC1(O[C@@]23OC1O[C@@H]2[C@H]([C@H](O[C@@H]3CO)O)O)CCO
->	5-methylthioribose	(atypical)		7		1	CSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O
->	2,3,4-triamino-2,3,4-trideoxy-L-arabinose	(atypical)		6		1	O[C@@H]1[C@H](N)[C@@H](N)[C@@H](N)CO1
->	2,3,6-trideoxy-3-amino-D-ribopyranose	(atypical)		6		1	C[C@H]([C@H]([C@H]1N)O)OC(C1)O
->	??anhKdo?	(atypical)		6		0	
->	tricyclic uronic acid	(atypical)		6		1	O[C@]1([C@@H]([C@H]2O[C@H]3O1)C)O[C@@H]3[C@H]2O
->	β-D-1-amino-1-deoxyribofuranose	(atypical)		6		1	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O
->	D-gluconic acid	(atypical)		5		1	O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
->	methylthiolincosamide	(atypical)		5		1	CS[C@H]1O[C@H]([C@H](N)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O
->	anhMan-ol1d	(atypical)		4		0	
->	bD4dthrHexp4enodialdose	(atypical)		4		1	O[C@@H]1OC(C=O)=C[C@@H](O)[C@@H]1O
->	(2-amino-2-carboxyethyl)thiolincosamide	(atypical)		3		2	C[C@@H](O)[C@@H](N)[C@H]1O[C@H](SC[C@H](N)C(=O)O)[C@H](O)[C@@H](O)[C@H]1O ; C[C@@H](O)[C@@H](N)[C@H]1O[C@H](SC[C@H](N)C(=O)O)[C@H](O)[C@@H](O)[C@H]1O
->	2,3,4-triamino-2,3,4,6-tetradeoxy-D-galactopyranose	(atypical)		3		1	OC1[C@H](N)[C@@H](N)[C@@H](N)[C@@H](C)O1
->	2-hydroxyethylthiolincosamide	(atypical)		3		1	C[C@@H](O)[C@@H](N)[C@H]1O[C@H](SCCO)[C@H](O)[C@@H](O)[C@H]1O
->	4,9-cyclo-6-deoxy-8-C-methyl-D-xylo-D-galacto-nonose (bradyrhizose)	(atypical)		3		1	O[C@@H]1[C@@H]([C@H]([C@]2([C@@H](C[C@H]([C@]([C@H]2O)(C)O)O)O1)O)O)O
->	6-deoxy-5C-methyl-lyxo-hexose	(atypical)		3		1	C[C@@]1(C)O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
->	1-amino-1,6-dideoxymannose, 1-aminorhamnose	(atypical)		2		1	C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O
->	1-deoxy-amicetose	(atypical)		2		2	C[C@@H](O1)[C@@H](O)CCC1 ; C[C@@H](O1)[C@@H](O)CCC1
->	1-thio-6-amino-1,6,8-trideoxy-d-erythro-a-D-galactooctopyranose	(atypical)		2		1	C[C@H]([C@H]([C@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)S)N)O
->	12-deoxy-4-C-(D-altro-5,7,8,9-tetrahydroxyhexyl)-a-D-galactopyranose	(atypical)		2		1	O[C@@H]1[C@@H]([C@H]([C@@]([C@@H](C)O1)([C@H](O)C[C@H](O)[C@H](O)[C@@H](C)O)O)O)O
->	2,3-diamino-2,3,4-trideoxy-L-erythro-hex-4,5-enuronic acid	(atypical)		2		1	N[C@H]1C=C(C(O)=O)O[C@@H](O)[C@H]1N
->	3,6-dideoxy-ribo-heptose	(atypical)		2		2	O[C@H]1[C@H](C[C@H](C(CCO)O1)O)O ; OCC[C@H]([C@H](C1)O)OC(O)[C@@H]1O
->	5-amino-3,5-dideoxy-a-lyxo-nonulopyranosonic (rhodaminic) acid	(atypical)		2		1	OC(C([C@@H]1O[C@](C(O)=O)(C[C@@H]([C@@H]1N)O)O)O)CO
->	5-amino-3,5-dideoxy-L-glycero-L-manno-non-2-ulosonic acid	(atypical)		2		1	O[C@H]([C@@H]([C@@H]1O[C@@](C(O)=O)(C[C@@H]([C@@H]1N)O)O)O)CO
->	D-erythronic acid 1,4-lactone	(atypical)		2		1	O=C1[C@H](O)[C@H](O)CO1
->	D-xylonic nitrile	(atypical)		2		1	N#C[C@H](O)[C@@H](O)[C@H](O)CO
->	< untitled 0 >	(atypical)		2		1	O[C@@H]1[C@@H]O[C@@H](C)[C@@H]1O
->	xDManaN1N	(atypical)		2		0	
->	(5S)-2-amino-2,4-dideoxy-a-L-erythro-hexos-5-ulo-1,5-pyranose	(atypical)		1		1	O[C@H]1[C@H]([C@H](C[C@](CO)(O)O1)O)N
->	1,2'-anhydro-3,6-dideoxy-4-C-[(S)-1',2'-dihydroxyethyl]-D-xylo-hexofuranose	(atypical)		1		1	O[C@H]1[C@H]2O[C@@](C1)([C@@H](O)CO2)[C@@H](C)O
->	1-deoxy-tetritol	(atypical)		1		1	CC(O)C(O)CO
->	2,4-diacetamido-2,4,6-trideoxyhexose (DATDH)	(atypical)		1		0	
->	2,7-anhydro-3-deoxy-D-manno-heptulosonic acid	(atypical)		1		1	O=C([C@@]12OC[C@@H](O)[C@H](O2)[C@H](O)C1)O
->	2-amino-2,6-deoxy-xylo-5,6-en-hexose	(atypical)		1		1	O[C@@H]1[C@@H]([C@H]([C@@H](C(O1)=C)O)O)N
->	2-amino-2,6-dideoxy-arabino-hex-4-ulose (hydrated)	(atypical)		1		1	O[C@@H]1[C@@H]([C@H](C([C@H](C)O1)(O)O)O)N
->	2-amino-2,6-dideoxy-hexos-4-ulose	(atypical)		1		1	OC1C(N)C(C(C(C)O1)=O)O
->	2-amino-2,6-dideoxy-xylo-hex-4-ulose (hydrated)	(atypical)		1		1	O[C@@H]1[C@@H]([C@H](C([C@@H](C)O1)(O)O)O)N
->	3,6-dideoxy-4-C-[(S)-1',2'-dihydroxyethyl]-D-xylo-hexose	(atypical)		1		1	O[C@@H](O[C@H](C)[C@](C1)([C@@H](O)CO)O)[C@@H]1O
->	3-deoxy-D-manno-heptulosonic acid	(atypical)		1		1	O=C([C@]1(C[C@H]([C@H]([C@H](O1)CO)O)O)O)O
->	3C-methyl-3,4-diamino-2,3,4,6-tetradeoxy-xylo-hexose	(atypical)		1		1	C[C@H]1O[C@@H](O)C[C@](C)(N)[C@H]1N
->	3C-methyl-3-nitro-4-amino-2,3,4,6-tetradeoxy-xylo-hexose	(atypical)		1		1	C[C@H]1O[C@@H](O)C[C@](C)(N(=O)=O)[C@H]1N
->	5,7,8-triamino-3,5,7,8,9-pentadeoxy-?-glycero-L-manno-non-2-ulosonic acid	(atypical)		1		1	CC([C@@H]([C@@H]1O[C@@](C(O)=O)(C[C@@H]([C@@H]1N)O)O)N)N
->	6-deoxy-5-C-methyl-β-D-lyxo-hexose	(atypical)		1		1	CC1(C)O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
->	6-deoxy-Hepp	(atypical)		1		0	
->	6-deoxy-Hex	(atypical)		1		0	
->	cinerulose A	(atypical)		1		1	C[C@H]1C(=O)CC[CH](O1)O
->	cinerulose B	(atypical)		1		0	
->	Glc or Gal (unclear)	(atypical)		1		0	
->	Glc, Man or Gal	(atypical)		1		0	
->	glucitol diacetal	(atypical)		1		1	OC(O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
->	L-aculose	(atypical)		1		1	C[C@@H]1O[C@@H](O)CCC1=O
->	< untitled 1 >	(atypical)		1		1	C[S+](CCC[NH3+])C[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O
->	< untitled 2 >	(atypical)		1		1	O=C1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1O
->	α-D-2,6-diamino-2,3,6-trideoxy-ribo-hexose	(atypical)		1		1	NC[C@H]1O[C@H](O)[C@H](N)C[C@@H]1O
->	α-L-2,6-dideoxy-4C-acetyl-lyxo-hexose	(atypical)		1		1	CC(=O)[C@@]1(O)[C@H](C)O[C@@H](O)C[C@@H]1O
->	β-D-1-amino-1-deoxyribopyranose	(atypical)		1		1	C[C@@H]1CO[C@@H](N)[C@H](C)[C@@H]1C
->	β-D-5-methylgalacturonic acid	(atypical)		1		1	O=C(O)[C@](C)1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
SUG	*	sug	77	37		1		superclass: any monosaccharide
->	SUG		154	94	<ANY>	1	
Tet	tet	sug	0	0		1		alias: tetrose
ALK	mva*	alk	26	15		1	@ALKYL	superclass: alcohol residue (alkyl)
->	ALK		83	75	<ANY>	1	
Bu	mva*	alk	11	8	2223	1	*OCCCC	butanol
->	Bu		24	24	oddd	1	[CH3][CH2][CH2][CH2]O
Dec	mva*	alk	7	4	2222222223	1	*OCCCCCCCCCC	decanol
->	Dec		14	14	oddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O
Et	mva*	alk	31	17	23	1	*OCC	ethanol
->	Et		53	53	od	1	[CH3][CH2]O
Hp	mva*	alk	0	0	2222223	1	*OCCCCCCC	heptanol
Hx	mva*	alk	6	3	222223	1	*OCCCCCC	hexanol
->	Hx		11	11	oddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2]O
iPr	mva*	alk	1	1	133	1	*OCC/3C	isopropanol
->	iPr		3	3	odd	1	[CH]([CH3])([CH3])O
Me	mva*	alk	1320	590	3	1	*OC	methanol
->	Me		6408	3646	o	1	[CH3]O
Oc	mva*	alk	20	8	22222223	1	*OCCCCCCCC	octanol
->	Oc		29	29	oddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O
Pr	mva*	alk	11	7	223	1	*OCCC	propanol
->	Pr		62	62	odd	1	[CH3][CH2][CH2]O
Und	mva*	alk	12	8	22222222223	1	*OCCCCCCCCCCC	undecanol
->	Und		27	27	odddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O
10b1C19	mva	lip	3	3	0222222221222222233	1	*OCCCCCCCCCC^XCCCCCCCC/12C/3=O	tuberculostearic acid (10-methyl-octadecanoic acid)
->	?-10b1C19		12	11	adddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
->	R-10b1C19		1	1	adddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
->	S-10b1C19		1	1	adddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
11HOLau	nsu	lip	14	7	022222222213	1	*1OCCCCCCCCCCC^XC/5O*3/3=O	11-hydroxy-dodecanoic acid
->	?-11HOLau		8	8	adddddddddod	1	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
13HOBeh	nsu	lip	8	5	0222222222221222222223	1	*1OCCCCCCCCCCCCC^XCCCCCCCCC/15O*3/3=O	13-hydroxy-docosanoic acid
->	?-13HOBeh		8	8	adddddddddddoddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
->	S-13HOBeh		4	4	adddddddddddoddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
15,16HOPam	nsu	lip	8	5	0222222222222212	1	*1OCCCCCCCCCCCCCCC^XCO*16/17O*15/3=O	15,16-dihydroxy-hexadecanoic acid
->	?-15,16HOPam		19	19	adddddddddddddoo	1	[CH2](O)[CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
15HOPam	nsu	lip	5	3	0222222222222213	1	*1OCCCCCCCCCCCCCCCC/17O*15/3=O	15-hydroxy-hexadecanoic acid
->	?-15HOPam		13	13	adddddddddddddod	1	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
17HOBeh	nsu	lip	8	8	0222222222222222122223	1	*1OCCCCCCCCCCCCCCCCC^XCCCCC/15O*3/3=O	17-hydroxy-docosanoic acid
->	?-17HOBeh		10	10	adddddddddddddddoddddd	1	[CH3][CH2][CH2][CH2][CH2][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
17HOC18={?,?}	nsu	lip	4	2	0???????????????13	1	@C18{=,=}	17-hydroxy-octadecadienoic acid
->	?-17HOC18={?,?}		4	4	a???????????????od	1	
17HOC18={?}	nsu	lip	0	0	0???????????????13	1	@C18{=}	17-hydroxy-octadecenoic acid
17HOLin	mva	lip	43	7	022222221121122213	1	*OCCCCCCCCC=^ZCCC=^ZCCCCCC/19O*17/3=O/	17-hydroxy-linoleic acid (17-hydroxy-9Z,12Z-octadecadienoic acid)
->	?-17HOLin		12	12	adddddddDDdDDdddod	1	[CH3][CH](O)[CH2][CH2][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
->	R-17HOLin		2	2	adddddddDDdDDdddod	1	[CH3][C@@H](O)[CH2][CH2][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
17HOOle	nsu	lip	312	79	022222221122222213	1	*1OCCCCCCCCC=^ZCCCCCCCC^XC/19O*17/3=O	17-hydroxy-cis-9-octadecenoic acid
->	?-17HOOle		95	95	adddddddDDddddddod	1	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
->	R-17HOOle		24	24	adddddddDDddddddod	1	[CH3][C@@H](O)[CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
->	S-17HOOle		6	6	adddddddDDddddddod	1	[CH3][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
17HOSte	nsu	lip	28	10	022222222222222213	1	*1OCCCCCCCCCCCCCCCC^XCC/19O*17/3=O	17-hydroxy-stearic acid
->	?-17HOSte		21	20	adddddddddddddddod	1	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
->	S-17HOSte		4	3	adddddddddddddddod	1	[CH3][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
->	R-17HOSte		3	3	adddddddddddddddod	1	[CH3][C@@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
18HOOle	nsu*	lip	6	3	022222221122222222	1	*1OCCCCCCCCC=^ZCCCCCCCCC/20O*18/3=O	18-hydroxy-cis-9-octadecenoic acid
->	18HOOle		29	20	adddddddDDdddddddo	1	[CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
18HOSte	nsu*	lip	2	1	022222222222222222	1	*1OCCCCCCCCCCCCCCCCCC/20O*18/3=O	18-hydroxy-stearic acid
->	18HOSte		3	3	addddddddddddddddo	1	[CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
2,15,16HOPam	nsu	lip	14	7	0122222222222212	1,2	*1OCC^XCCCCCCCCCCCCC^XCO*16/17O*15/4O*2/3=O	2,15,16-trihydroxy-hexadecanoic acid
->	?-2,15,16HOPam		37	37	aoddddddddddddoo	1	[CH2](O)[CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O
2,4HOBut	nsu	lip	13	5	0122	1,2	*1OCC^XCCO*4/4O*2/3=O	2,4-dihydroxybutanoic acid (3d-glycero-tetronic acid)
->	S-2,4HOBut		162	71	aodo	1	[CH2](O)[CH2][C@H](O)[C](=O)O
->	R-2,4HOBut		17	7	aodo	1	[CH2](O)[CH2][C@@H](O)[C](=O)O
27HOMon	nsu	lip	23	9	0222222222222222222222222213	1	*1OCCCCCCCCCCCCCCCCCCCCCCCCCCC^XC/29O*27/3=O	27-hydroxy-octacosanoic acid
->	?-27HOMon		84	77	adddddddddddddddddddddddddod	1	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
27oxoMon	nsu*	lip	2	2	0222222222222222222222222203	1	*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/29=O/3=O	27-oxo-octacosanoic acid
->	27oxoMon		7	7	adddddddddddddddddddddddddxd	1	[CH3][C](=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
2HOAch	nsu	lip	2	2	01222222222222222223	1	*1OCC^XCCCCCCCCCCCCCCCCCC/4O*3/3=O	2-hydroxy-icosanoic acid
->	?-2HOAch		8	8	aodddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O
2HOC13	nsu	lip	3	1	0122222222223	1	*1OCC^XCCCCCCCCCCC/4O*3/3=O	2-hydroxy-tridecanoic acid
->	R-2HOC13		4	4	aoddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O
2HOC15	nsu	lip	7	4	012222222222223	1	*1OCC^XCCCCCCCCCCCCC/4O*3/3=O	2-hydroxy-pentadecanoic acid
->	R-2HOC15		7	7	aoddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O
2HOC16={t3}	nsu	lip	35	13	0111222222222223	1,2	*1OC^XCC=^ECCCCCCCCCCCCC/4O*2/3=O	2-hydroxy-trans-3-hexadecenoic acid
->	R-2HOC16={t3}		14	14	aoDDdddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C@@H](O)[C](=O)O
->	?-2HOC16={t3}		7	7	aoDDdddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH](O)[C](=O)O
2HOC18={t3}	nsu	lip	58	18	011122222222222223	1,2	*1OCC^XC=^ECCCCCCCCCCCCCCC/4O*2/3=O	2-hydroxy-trans-3-octadecenoic acid
->	R-2HOC18={t3}		37	37	aoDDdddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C@@H](O)[C](=O)O
->	?-2HOC18={t3}		18	18	aoDDdddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH](O)[C](=O)O
2HOLau	nsu	lip	56	31	012222222223	1,2	*1OCC^XCCCCCCCCCC/4O*2/3=O	2-hydroxy-dodecanoic acid
->	?-2HOLau		60	53	aodddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O
->	S-2HOLau		17	11	aodddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O
->	R-2HOLau		2	1	aodddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O
2HOLig	nsu	lip	56	16	012222222222222222222223	1,2	*1OCC^XCCCCCCCCCCCCCCCCCCCCCC/4O*2/3=O	2-hydroxy-tetracosanoic acid
->	?-2HOLig		117	117	aodddddddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O
->	R-2HOLig		6	6	aodddddddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O
2HOMar	nsu	lip	3	3	01222222222222223	1	*1OCC^XCCCCCCCCCCCCCCC/4O*3/3=O	2-hydroxy-margaric acid
->	R-2HOMar		6	6	aoddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O
->	?-2HOMar		1	1	aoddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O
2HOMyr	nsu	lip	56	17	01222222222223	1,2	*1OCC^XCCCCCCCCCCCC/4O*2/3=O	2-hydroxy-tetradecanoic acid
->	?-2HOMyr		36	36	aodddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O
->	S-2HOMyr		12	12	aodddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O
->	R-2HOMyr		4	4	aodddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O
2HOPam	nsu	lip	139	35	0122222222222223	1,2	*1OCC^XCCCCCCCCCCCCCC/4O*2/3=O	2-hydroxy-hexadecanoic acid
->	?-2HOPam		50	50	aodddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O
->	R-2HOPam		43	43	aodddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O
->	S-2HOPam		2	2	aodddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O
2HOSte	nsu	lip	102	32	012222222222222223	1,2	*1OCC^XCCCCCCCCCCCCCCCC/4O*2/3=O	2-hydroxy-stearic acid
->	?-2HOSte		49	49	aodddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O
->	R-2HOSte		47	47	aodddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O
->	S-2HOSte		1	1	aodddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O
3,4HOiC15	nsu	lip	1	1	021122222222133	1	*1OCCC^XC^XCCCCCCCCCC/15C/6O*4/5O*3/3=O	3,4-dihydroxy-iso-pentadecanoic acid
->	?-3,4HOiC15		2	2	adooddddddddddd	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH](O)[CH2][C](=O)O
3,5HOHex	nsu*	lip	6	5	021213	1	*1OCCC^XCC^XC/7O*5/5O*3/3=O	3,5-dihydroxyhexanoic acid
->	3,5HOHex		9	9	adodod	1	[CH3][CH](O)[CH2][CH](O)[CH2][C](=O)O
3HOAch	nsu	lip	18	5	02122222222222222223	1	*1OCCC^XCCCCCCCCCCCCCCCCC/5O*3/3=O	3-hydroxy-icosanoic acid
->	?-3HOAch		41	22	adoddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
->	R-3HOAch		6	3	adoddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O
3HOaiVl	nsu	lip	3	1	01133	1	*OCC^XCC/3=O/4C/5O*3	3S-hydroxy-anteisovaleric acid (2-methyl-butyric acid)
->	R-3HOaiVl		1	1	adodd	1	[CH3][C@H](O)[C@@H]([CH3])[C](=O)O
3HOBeh	nsu	lip	2	1	0212222222222222222223	1	*1OCCC^XCCCCCCCCCCCCCCCCCCC/5O*3/3=O	3-hydroxy-docosanoic acid
->	?-3HOBeh		4	2	adoddddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
3HOBut	nsu	lip	291	143	0213	1	*1OCCC^XC/5O*3/3=O	3-hydroxybutanoic acid
->	?-3HOBut		198	150	adod	1	[CH3][CH](O)[CH2][C](=O)O
->	R-3HOBut		170	166	adod	1	[CH3][C@@H](O)[CH2][C](=O)O
->	S-3HOBut		137	127	adod	1	[CH3][C@H](O)[CH2][C](=O)O
3HOC13	nsu	lip	6	3	0212222222223	1	*1OCCC^XCCCCCCCCCC/5O*3/3=O	3-hydroxy-tridecanoic acid
->	R-3HOC13		22	6	adodddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O
->	?-3HOC13		8	4	adodddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
3HOC14={c4}	nsu	lip	5	4	02122222222223	1	*1OCCC^XC=^XCCCCCCCCCC/5O*3/3=O	3-hydroxy-tetradec-4Z-enoic acid
->	R-3HOC14={c4}		9	9	adoDDddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][C@@H](O)[CH2][C](=O)O
->	?-3HOC14={c4}		1	1	adoDDddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH](O)[CH2][C](=O)O
3HOC15	nsu	lip	2	2	021222222222223	1	*1OCCC^XCCCCCCCCCCCC/5O*3/3=O	3-hydroxy-pentadecanoic acid
->	R-3HOC15		7	7	adodddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O
->	?-3HOC15		3	3	adodddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
3HODco	nsu	lip	207	77	0212222223	1	*1OCCC^XCCCCCCC/5O*3/3=O	3-hydroxy-decanoic acid
->	?-3HODco		222	129	adoddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
->	R-3HODco		107	48	adoddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O
3HOHxo	nsu	lip	11	7	021223	1	*1OCCC^XCCC/5O*3/3=O	3-hydroxy-hexanoic acid
->	?-3HOHxo		24	24	adoddd	1	[CH3][CH2][CH2][CH](O)[CH2][C](=O)O
3HOiC13	nsu	lip	6	4	0212222222133	1	*1OCCC^XCCCCCCCCC/13C/5O*3/3=O	3-hydroxy-iso-tridecanoic acid
->	?-3HOiC13		26	14	adodddddddddd	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
3HOiC15	nsu	lip	11	8	021222222222133	1	*1OCCC^XCCCCCCCCCCC/15C/5O*3/3=O	3-hydroxy-iso-pentadecanoic acid
->	R-3HOiC15		12	11	adodddddddddddd	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O
->	?-3HOiC15		11	10	adodddddddddddd	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
3HOiMar	nsu	lip	47	19	02122222222222133	1	*1OCCC^XCCCCCCCCCCCCCC/17C/5O*3/3=O	3-hydroxy-iso-heptadecanoic acid
->	?-3HOiMar		40	22	adodddddddddddddd	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
->	R-3HOiMar		34	19	adodddddddddddddd	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O
3HOiMyr	nsu	lip	2	1	02122222222133	1	*1OCCC^XCCCCCCCCCC/14C/5O*3/3=O	3-hydroxy-iso-tetradecanoic acid
->	?-3HOiMyr		8	4	adoddddddddddd	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
->	R-3HOiMyr		2	1	adoddddddddddd	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O
3HOiVl	nsu*	lip	1	1	02033	1	*1OCCCC/5C/5O*3/3=O	3-hydroxy-isovaleric acid
->	3HOiVl		23	23	adodd	1	[CH3][C]([CH3])(O)[CH2][C](=O)O
3HOLau	nsu	lip	326	103	021222222223	1	*1OCCC^XCCCCCCCCC/5O*3/3=O	3-hydroxy-dodecanoic acid
->	?-3HOLau		320	148	adoddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
->	R-3HOLau		231	95	adoddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O
3HOMar	nsu	lip	15	5	02122222222222223	1	*1OCCC^XCCCCCCCCCCCCCC/5O*3/3=O	3-hydroxy-heptadecanoic acid
->	?-3HOMar		10	8	adodddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
3HOMyr	nsu	lip	1177	218	02122222222223	1	*1OCCC^XCCCCCCCCCCC/5O*3/3=O	3-hydroxy-tetradecanoic acid
->	?-3HOMyr		1475	503	adoddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
->	R-3HOMyr		796	274	adoddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O
3HOOco	nsu	lip	11	7	02122223	1	*1OCCC^XCCCCC/5O*3/3=O	3-hydroxy-octanoic acid
->	?-3HOOco		23	23	adoddddd	1	[CH3][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
3HOPam	nsu	lip	294	64	0212222222222223	1	*1OCCC^XCCCCCCCCCCCCC/5O*3/3=O	3-hydroxy-hexadecanoic acid
->	?-3HOPam		197	125	adoddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
->	R-3HOPam		104	64	adoddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O
3HOPro	nsu*	lip	1	1	022	1	*1OCCCO*3/3=O	beta-lactic acid (3-hydroxypropanoic acid)
->	3HOPro		12	10	ado	1	[CH2](O)[CH2][C](=O)O
3HOSte	nsu	lip	103	23	021222222222222223	1	*1OCCC^XCCCCCCCCCCCCCCC/5O*3/3=O	3-hydroxy-stearic acid
->	?-3HOSte		179	92	adoddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O
->	R-3HOSte		52	23	adoddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O
3oxoMyr	mva*	lip	12	8	02022222222223	1	*OCCCCCCCCCCCCCC/5=O/3=O	3-oxo-tetradecanoic acid
->	3oxoMyr		29	22	addddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)[CH2][C](=O)O
4HOaiHxo	nsu	lip	0	0	021133	1	*1OCCC^XC^XC/6O*4/5C/3=O	4-hydroxy-3-methyl-pentanoic acid
4HOBut	nsu*	lip	3	3	0222	1	*1OCCCCO*4/3=O	4-hydroxybutanoic acid
->	4HOBut		37	37	addo	1	[CH2](O)[CH2][CH2][C](=O)O
Ach	mva*	lip	2	2	02222222222222222223	1	*OCCCCCCCCCCCCCCCCCCCC/3=O	arachidic acid (icosanoic acid)
->	Ach		17	16	addddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
aiVl	mva	lip	12	4	01233	1	*OCC^XCC/3=O/4C	anteisovaleric acid (2-methyl-butyric acid)
->	S-aiVl		48	38	adddd	1	[CH3][CH2][C@H]([CH3])[C](=O)O
->	?-aiVl		30	30	adddd	1	[CH3][CH2][CH]([CH3])[C](=O)O
aLnn	mva*	lip	1	1	022222221121121123	1	*OCCCCCCCCC=^XCCC=^XCCC=^XCCC/3=O/	(9,12,15)-linolenic acid (9,12,15-octadecatrienoic acid)
->	aLnn		20	13	adddddddDDdDDdDDdd	1	[CH3][CH2][CH]=[CH][CH2][CH]=[CH][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
Beh	mva*	lip	3	2	0222222222222222222223	1	*OCCCCCCCCCCCCCCCCCCCCCC/3=O	behenic acid (docosanoic)
->	Beh		16	15	addddddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
But	mva*	lip	55	20	0223	1	*OCCCC/3=O	butyric acid
->	But		38	38	addd	1	[CH3][CH2][CH2][C](=O)O
C12={5}	mva*	lip	2	2	022211222223	1	*OCCCCC=^XCCCCCCC/3=O	dodec-5-enoic acid
->	C12={5}		9	9	adddDDdddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O
C12={6}	mva*	lip	1	1	022221122223	1	*OCCCCCC=^XCCCCCC/3=O	dodec-6-enoic acid
->	C12={6}		1	1	addddDDddddd	1	[CH3][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O
C13={6}	mva*	lip	1	1	0222211222223	1	*OCCCCCC=^XCCCCCCC/3=O	tridec-6-enoic acid
->	C13={6}		1	1	addddDDdddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O
C13	mva*	lip	2	2	0222222222223	1	*OCCCCCCCCCCCCC/3=O	tridecanoic acid
->	C13		4	4	adddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
C14={5}	mva*	lip	1	1	02221122222223	1	*OCCCCC=^XCCCCCCCCC/3=O	tetradec-5-enoic acid
->	C14={5}		3	3	adddDDdddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O
C14={6}	mva*	lip	3	2	02222112222223	1	*OCCCCCC=^XCCCCCCCC/3=O	tetradec-6-enoic acid
->	C14={6}		2	2	addddDDddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O
C14={7}	mva*	lip	6	4	02222211222223	1	*OCCCCCCC=^XCCCCCCC/3=O	tetradec-7-enoic acid
->	C14={7}		8	8	adddddDDdddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][C](=O)O
C14={8}	mva*	lip	1	1	02222221122223	1	*OCCCCCCCC=^XCCCCCC/3=O	tetradec-8-enoic acid
->	C14={8}		2	2	addddddDDddddd	1	[CH3][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
C15={6}	mva*	lip	1	1	022221122222223	1	*OCCCCCC=^XCCCCCCCCC/3=O	pentadec-6-enoic acid
->	C15={6}		1	1	addddDDdddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O
C15	mva*	lip	8	4	022222222222223	1	*OCCCCCCCCCCCCCCC/3=O	pentadecanoic acid
->	C15		31	24	adddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
C16={11}	mva*	lip	4	2	0222222222112223	1	*OCCCCCCCCCCC=^XCCCCC/3=O	hexadec-11-enoic acid
->	C16={11}		6	6	adddddddddDDdddd	1	[CH3][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
C16={6}	mva*	lip	6	4	0222211222222223	1	*OCCCCCC=^XCCCCCCCCCC/3=O	hexadec-6-enoic acid
->	C16={6}		4	4	addddDDddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O
C16={?,?}	mva*	lip	2	2	0??????????????3	1	@C16{=,=}	hexadecadienoic acid
->	C16={?,?}		17	15	a???????????????	1	
C17={6}	mva*	lip	1	1	02222112222222223	1	*OCCCCCC=^XCCCCCCCCCCC/3=O	heptadec-6-enoic acid
->	C17={6}		1	1	addddDDdddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O
C18={6}	mva*	lip	1	1	022221122222222223	1	*OCCCCCC=^XCCCCCCCCCCCC/3=O	octadec-6-enoic acid
->	C18={6}		1	1	addddDDddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O
C18={?}	mva*	lip	30	13	0????????????????3	1	@C18{=}	octadecenoic acid
->	C18={?}		37	36	a?????????????????	1	
C18={t9}	mva*	lip	32	2	022222221122222223	1	*OCCCCCCCCC=^ECCCCCCCCC/3=O/	trans-9-octadecenoic acid
->	C18={t9}		20	18	adddddddDDdddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
C18c{9,11}	mva*	lip	0	0	022222221212222223	1	*OCCCCCCCCCCCCCCCCC/12C$11/3=O	cyclo-9,11-octadecanoic acid
cdPam	mva*	lip	3	3	0222222211222223	1	*OCCCCCCCCC=^ZCCCCCCC/3=O	cis-palmitoleic (hexadecenoic) acid
->	cdPam		16	15	adddddddDDdddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
CER	nsu*	lip	19	11		1	@CERAMIDE	superclass: ceramide (N-acylated sphyngoid)
->	CER		267	267	<ANY>	1	
Ceroplastic	mva*	lip	0	0	02222222222222222222222222222222223	1	*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O	ceroplastic acid (pentatriacontanoic acid)
Crt	mva*	lip	15	8	02222222222222222222222223	1	*OCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O	cerotic acid (hexacosanoic acid)
->	Crt		77	74	addddddddddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
cVac	mva*	lip	1	1	022222222211222223	1	*OCCCCCCCCCCC=^ZCCCCCCC/3=O	cis-vaccenic (cis-11-octadecenoic) acid
->	cVac		23	23	adddddddddDDdddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
d2Ach	mva*	lip	0	0	02222221121122222223	1	*OCCCCCCCC=^XCCC=^XCCCCCCCCC/3=O	8,11-icosadienoic acid
d3Ach	mva*	lip	0	0	02221121121122222223	1	*OCCCCC=^XCCC=^XCCC=^XCCCCCCCCC/3=O	5,8,11-icosatrienoic acid
d4Ach	mva*	lip	0	0	02221121121121122223	1	*OCCCCC=^XCCC=^XCCC=^XCCC=^XCCCCCC/3=O	arachidonic acid (5,8,11,14-icosatetraenoic acid)
Dco	mva*	lip	38	20	0222222223	1	*OCCCCCCCCCC/3=O	capric acid (decanoic acid)
->	Dco		88	67	addddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
dPam	mva*	lip	10	6	0222222211222123	1	*OCCCCCCCCC=^XCCCCCCC/3=O	palmitoleic acid (hexadecenoic acid)
->	dPam		24	24	adddddddDDdddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
eSte	mva*	lip	0	0	022222221111112223	1	*OCCCCCCCCC=^XCC=^XCC=^XCCCCC/3=O/	eleostearic acid (9,11,13-octadecatrienoic acid)
Gc	nsu*	lip	11	5	02	1	*1OCCO*2/3=O	glycolic acid (2-hydroxyacetic acid)
->	Gc		109	85	ao	1	[CH2](O)[C](=O)O
Geddic	mva*	lip	0	0	0222222222222222222222222222222223	1	*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O	geddic acid (tetratriacontanoic acid)
GroA	nsu	lip	37	25	012	1,2	A2h	glyceric acid (2,3-dihydroxypropanoic acid). WURCS is for 1-O(C=O)-linked Lac
->	D-GroA		35	32	aoo	1	[CH2](O)[C@@H](O)[C](=O)O
->	?-GroA		33	33	aoo	1	[CH2](O)[CH](O)[C](=O)O
->	L-GroA		23	22	aoo	1	[CH2](O)[C@H](O)[C](=O)O
Hxo	mva*	lip	33	14	022223	1	*OCCCCCC/3=O	hexanoic acid
->	Hxo		65	43	addddd	1	[CH3][CH2][CH2][CH2][CH2][C](=O)O
iBut	mva*	lip	15	6	0133	1	*OCCC/4C/3=O	isobutyric acid
->	iBut		59	38	addd	1	[CH3][CH]([CH3])[C](=O)O
iC13	mva*	lip	2	2	0222222222133	1	*OCCCCCCCCCCCC/13C/3=O	iso-tridecanoic acid
->	iC13		4	3	adddddddddddd	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
iC15	mva*	lip	21	10	022222222222133	1	*OCCCCCCCCCCCCCC/15C/3=O	iso-pentadecanoic acid
->	iC15		23	23	adddddddddddddd	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
iPam	mva*	lip	1	1	0222222222222133	1	*OCCCCCCCCCCCCCCC/16C/3=O	isopalmitic acid
->	iPam		19	13	addddddddddddddd	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
iVl	mva*	lip	4	3	02133	1	*OCCCC/5C/3=O	isovaleric acid
->	iVl		19	19	adddd	1	[CH3][CH]([CH3])[CH2][C](=O)O
Lac	nsu	lip	145	91	013	1,2	*1OCC^XO*2/4C/3=O	lactic acid (2-hydroxypropanoic acid) (substituent for 2-ether: 1-carboxyethyl). WURCS is for 1-O-linked Lac
->	R-Lac		99	98	aod	1	[CH3][C@@H](O)[C](=O)O
->	S-Lac		89	88	aod	1	[CH3][C@H](O)[C](=O)O
->	?-Lac		64	62	aod	1	[CH3][CH](O)[C](=O)O
Lau	mva*	lip	279	141	022222222223	1	*OCCCCCCCCCCCC/3=O	lauric acid (dodecanoic acid)
->	Lau		589	473	addddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
Lig	mva*	lip	5	4	022222222222222222222223	1	*OCCCCCCCCCCCCCCCCCCCCCCCC/3=O	lignoceric acid (tetracosanoic acid)
->	Lig		40	40	addddddddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
Lin	mva*	lip	14	4	022222221121122223	1	*OCCCCCCCCC=^ZCCC=^ZCCCCCC/3=O/	linoleic acid (cis,cis-9,12-octadecadienoic acid)
->	Lin		39	27	adddddddDDdDDddddd	1	[CH3][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
LIP	nsu*	lip	1282	190		1	A	superclass: lipid residue
->	LIP		1431	821	<ANY>	1	
Mar	mva*	lip	1	1	02222222222222223	1	*OCCCCCCCCCCCCCCCCC/3=O	margaric acid (heptadecanoic acid)
->	Mar		27	19	adddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
Mon	mva*	lip	13	5	0222222222222222222222222223	1	*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O	montanic acid (octacosanoic acid)
->	Mon		8	8	addddddddddddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
Mycolic	nsu*	lip	191	8	01122222222222222322222222222223	1	*1OCC^XC^XCCCCCCCCCCCCCCC/5O*3/4CCCCCCCCCCCCCC/3=O	corynomycolic acid (C32)
->	Mycolic		57	19	adoddddddddddddddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH]([CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3])[C](=O)O
Myr	mva*	lip	285	129	02222222222223	1	*OCCCCCCCCCCCCCC/3=O	myristic acid (tetradecanoic acid)
->	Myr		539	444	addddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
Oco	mva*	lip	50	14	02222223	1	*OCCCCCCCC/3=O	octanoic acid
->	Oco		76	58	addddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
Ole	mva*	lip	42	14	022222221122222223	1	*OCCCCCCCCC=^ZCCCCCCCCC/3=O	oleic acid (cis-9-octadecenoic acid)
->	Ole		119	99	adddddddDDdddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
Pam	mva*	lip	283	106	0222222222222223	1	*OCCCCCCCCCCCCCCCC/3=O	palmitic acid (hexadecanoic acid)
->	Pam		606	511	addddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
Phthi	mva*	lip	7	2	001121222222222222222223333	1	*OCC=^XCC^XCCCCCCCCCCCCCCCCCCCC/8C/6C/4C/3=O	+C27-phthienoic acid (2,4,6-trimethyl-tetracos-2-enoic acid)
->	Phthi		12	3	aDDdddddddddddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH]([CH3])[CH]=[C]([CH3])[C](=O)O
Psyllic	mva*	lip	0	0	022222222222222222222222222222223	1	*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O	psyllic acid (tritriacontanoic acid)
Ricn	nsu*	lip	0	0	022222221121222223	1	*1OCCCCCCCCC=^ZCCCCC^RCCCC/14O*12/3=O	ricinoleic acid (12-R-hydroxy-cis-9-octadecenoic acid)
RRDhpa	nsu*	lip	2	2	01213	1	*1OC^RCC^RCC/4O*2/6O*4/3=O	2R,4R-dihydroxy-valeric acid (dihydroxypentanoic acid)
->	RRDhpa		2	2	aodod	1	[CH3][C@@H](O)[CH2][C@@H](O)[C](=O)O
SPH	nsu*	lip	5	3		1	@SPHINGOID	superclass: sphyngoid
->	SPH		6	6	<ANY>	1	
SRDhpa	nsu*	lip	1	1	01213	1	*1OC^SCC^RCC/4O*2/6O*4/3=O	2S,4R-dihydroxy-valeric acid (dihydroxypentanoic acid)
->	SRDhpa		5	5	aodod	1	[CH3][C@@H](O)[CH2][C@H](O)[C](=O)O
SS3,5HOHex	nsu*	lip	6	2	021213	1	*1OCCC^SCC^SC/7O*5/5O*3/3=O	3S,5S-dihydroxyhexanoic acid
->	SS3,5HOHex		7	7	adodod	1	[CH3][C@H](O)[CH2][C@H](O)[CH2][C](=O)O
Ste	mva*	lip	109	38	022222222222222223	1	*OCCCCCCCCCCCCCCCCCC/3=O	stearic acid (octadecanoic acid)
->	Ste		217	185	addddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
Tig	mva*	lip	4	1	00133	1	*OCC=^ECC/4C/3=O	tiglic acid ((E)-2-methylbut-2-enoic acid)
->	Tig		61	57	aDDdd	1	[CH3]/[CH]=[C]([CH3])/[C](=O)O
Vac	mva*	lip	6	3	022222222211222223	1	*OCCCCCCCCCCC=^XCCCCCCC/3=O	vaccenic acid (11-octadecenoic acid)
->	Vac		29	29	adddddddddDDdddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O
Vl	mva*	lip	3	3	02223	1	*OCCCCC/3=O	valeric acid
->	Vl		7	7	adddd	1	[CH3][CH2][CH2][CH2][C](=O)O
9b1SphdC19	nsu*	sph	84	14	2111122102222222233	1	*1OCCCC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*2	(4E,8E)-9-methyl-4,8-sphingadienine-C18
->	9b1SphdC19		32	31	onoDDddDDdddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[C]([CH3])=[CH]/[CH2][CH2]/[CH]=[CH]/[CH](O)[CH](N)[CH2]O
cis-Sph	nsu*	sph	0	0		1	*1OCC^SC^RC=^ZCCCCCCCCCC/5O*3/4N*2	any cis-sphingenine (2S,3R,4Z-2-amino-4-en-1,3-diol) (4Z-sphingenine)
cis-SphC16	nsu*	sph	0	0	2111122222222223	1	*1OCC^SC^RC=^ZCCCCCCCCCCCC/5O*3/4N*2	cis-hexadecasphingosine
cis-SphC20	nsu*	sph	0	0	21111222222222222223	1	*1OCC^SC^RC=^ZCCCCCCCCCCCCCCCC/5O*3/4N*2	cis-icosasphingosine
cis-SphC22	nsu*	sph	0	0	2111122222222222222223	1	*1OCC^SC^RC=^ZCCCCCCCCCCCCCCCCCC/5O*3/4N*2	cis-sphingosine C22
phSph	nsu*	sph	4	2		1	*1OCC^SC^SC^RCCCCCCCCCC/6O*4/5O*3/4N*2	any phytosphingosine (2S,3S,4R-2-amino-1,3,4-triol)
->	phSph		22	22	<ANY>	1	
phSphC18	nsu*	sph	66	21	211122222222222223	1	*1OCC^SC^SC^RCCCCCCCCCCCCCC/6O*4/5O*3/4N*2	phytosphingosine
->	phSphC18		209	209	onoodddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C@H](O)[C@@H](N)[CH2]O
phSphC20	nsu*	sph	12	3	21112222222222222223	1	*1OCC^SC^SC^RCCCCCCCCCCCCCCCC/6O*4/5O*3/4N*2	icosaphytosphingosine
->	phSphC20		14	14	onoodddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C@H](O)[C@@H](N)[CH2]O
phSphC22	nsu*	sph	0	0	2111222222222222222223	1	*1OCC^SC^SC^RCCCCCCCCCCCCCCCCCC/6O*4/5O*3/4N*2	phytosphingosine C22
RRSphnC16	nsu*	sph	0	0	2112222222222223	1	*1OCC^RC^RCCCCCCCCCCCCC/5O*3/4N*2	RR-hexadecasphynganine (D-threo-2-amino-1,3-hexadecanediol)
RRSphnC22	nsu*	sph	0	0	2112222222222222222223	1	*1OCC^RC^RCCCCCCCCCCCCCCCCCCC/5O*3/4N*2	RR-sphinganine C22
Sph	nsu*	sph	25	10		1	*1OCC^SC^RC=^ECCCCCCCCCC/5O*3/4N*2	any sphingosine, any sphingenine (2S,3R,4E-2-amino-4-en-1,3-diol) (4E-sphingenine)
->	Sph		36	36	<ANY>	1	
SphC16	nsu*	sph	5	3	2111122222222223	1	*1OCC^SC^RC=^ECCCCCCCCCCCC/5O*3/4N*2	hexadecasphingosine
->	SphC16		3	3	onoDDddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C@@H](O)[C@@H](N)[CH2]O
SphC18	nsu*	sph	11	5	211112222222222223	1	*1OCC^SC^RC=^ECCCCCCCCCCCCCC/5O*3/4N*2	sphingosine
->	SphC18		172	171	onoDDddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C@@H](O)[C@@H](N)[CH2]O
SphC22	nsu*	sph	0	0	2111122222222222222223	1	*1OCC^SC^RC=^ECCCCCCCCCCCCCCCCCC/5O*3/4N*2	sphingosine C22
Sphd	nsu*	sph	24	10		1	*1OCC^SC^RC=^ECCCC=^ECCCCCC/5O*3/4N*2	any 4E,8E-sphingadienine
->	Sphd		35	35	<ANY>	1	
SphdC18	nsu*	sph	5	3	211112211222222223	1	*1OCC^SC^RC=^ECCCC=^ECCCCCCCCCC/5O*3/4N*2	4E,8E-sphingadienine
->	SphdC18		5	5	onoDDddDDddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH2][CH2]/[CH]=[CH]/[CH](O)[CH](N)[CH2]O
Spht	nsu*	sph	6	2		1	*1OCC^SC^RC=^ECCCC=^ECC=^ECCCC/5O*3/4N*2	any 4E,8E,10E-sphingatrienine
->	Spht		5	5	<ANY>	1	
SR9b1SphdC18	nsu*	sph	1	1	211112210222222233	1	*1OCC^SC^RC=^ECCCC=^ECCCCCCCCC/11C/5O*3/4N*2	(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C17
->	SR9b1SphdC18		6	6	onoDDddDDddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[C]([CH3])=[CH]/[CH2][CH2]/[CH]=[CH]/[C@@H](O)[C@@H](N)[CH2]O
SR9b1SphdC19	nsu*	sph	131	37	2111122102222222233	1	*1OCC^SC^RC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*2	(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C18
->	SR9b1SphdC19		112	112	onoDDddDDdddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[C]([CH3])=[CH]/[CH2][CH2]/[CH]=[CH]/[C@@H](O)[C@@H](N)[CH2]O
SRSphnC16	nsu*	sph	0	0	2112222222222223	1	*1OCC^SC^RCCCCCCCCCCCCC/5O*3/4N*2	SR-hexadecasphynganine (D-erythro-2-amino-1,3-hexadecanediol)
SRSphnC18	nsu*	sph	6	4	211222222222222223	1	*1OCC^SC^RCCCCCCCCCCCCCCC/5O*3/4N*2	SR-sphinganine (D-erythro-2-amino-1,3-octadecanediol)
->	SRSphnC18		18	18	onoddddddddddddddd	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C@@H](N)[CH2]O
SRSphnC20	nsu*	sph	0	0	21122222222222222223	1	*1OCC^SC^RCCCCCCCCCCCCCCCCC/5O*3/4N*2	SR-icosasphinganine (D-erythro-2-amino-1,3-icosanediol)
SRSphnC22	nsu*	sph	0	0	2112222222222222222223	1	*1OCC^SC^RCCCCCCCCCCCCCCCCCCC/5O*3/4N*2	SR-sphinganine C22
alloIno	nsu*	ino	0	0	111111	1	112222	allo-inositol (cis-1,2-trans-3,4,5,6-cyclohexanehexol)
cisIno	nsu*	ino	0	0	111111	1	111111	cis-inositol (cis-1,2,3,4,5,6-cyclohexanehexol)
epiIno	nsu*	ino	0	0	111111	1	122222	epi-inositol (cis-1-trans-2,3,4,5,6-cyclohexanehexol)
mucoIno	nsu*	ino	0	0	111111	1	112112	muco-inositol (cis-1,2,4,5-trans-3,6-cyclohexanehexol)
myoIno	nsu*	ino	309	123	111111	1	111212	myo-inositol (cis-1,2,3,5-trans-4,6-cyclohexanehexol) [2OH ax, other OH eq]
->	myoIno		542	539	oooooo	1	[C@H](O)1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1
neoIno	nsu*	ino	0	0	111111	1	111222	neo-inositol (cis-1,2,3-trans-4,5,6-cyclohexanehexol)
Ala	nsu	pep	437	125	013	1,2	A2m_2*N	alanine
->	D-Ala		443	261	and	1	[CH3][C@@H](N)[C](=O)O
->	L-Ala		437	389	and	1	[CH3][C@H](N)[C](=O)O
->	?-Ala		223	136	and	1	[CH3][CH](N)[C](=O)O
Asn	nsu	pep	77	52	0120	1,2,4	A2dA_2*N_4*N	asparagine
->	?-Asn		206	205	andN	1	[C](=O)(N)[CH2][CH](N)[C](=O)O
->	L-Asn		97	90	andN	1	[C](=O)(N)[CH2][C@H](N)[C](=O)O
Asp	nsu	pep	6	6	0120	1,2,4	A2dA_2*N	aspartic acid
->	D-Asp		16	16	anda	1	[C](=O)(O)[CH2][C@@H](N)[C](=O)O
->	?-Asp		10	10	anda	1	[C](=O)(O)[CH2][CH](N)[C](=O)O
->	L-Asp		4	4	anda	1	[C](=O)(O)[CH2][C@H](N)[C](=O)O
aThr	nsu	pep	11	6	0113	1,2	A22m_2*N	allothreonine (2S,3S)
->	D-aThr		64	63	anod	1	[CH3][C@@H](O)[C@@H](N)[C](=O)O
->	?-aThr		2	2	anod	2	[CH3][C@@H](O)[C@@H](N)[C](=O)O ; [CH3][C@H](O)[C@H](N)[C](=O)O
->	L-aThr		2	2	anod	1	[CH3][C@H](O)[C@H](N)[C](=O)O
Cys	nsu	pep	19	5	012	1,2	A2h_2*N_3*S	cysteine
->	L-Cys		12	12	anh	1	[CH2](S)[C@H](N)[C](=O)O
->	?-Cys		4	4	anh	1	[CH2](S)[CH](N)[C](=O)O
->	D-Cys		1	1	anh	1	[CH2](S)[C@@H](N)[C](=O)O
Gln	nsu	pep	6	6	01220	1,2,5	A2ddA_2*N_5*N	glutamine
->	L-Gln		17	17	anddN	1	[C](=O)(N)[CH2][CH2][C@H](N)[C](=O)O
->	?-Gln		16	15	anddN	1	[C](=O)(N)[CH2][CH2][CH](N)[C](=O)O
->	D-Gln		7	7	anddN	1	[C](=O)(N)[CH2][CH2][C@@H](N)[C](=O)O
Glu	nsu	pep	19	11	01220	1,2,5	A2ddA_2*N	glutamic acid
->	D-Glu		139	111	andda	1	[C](=O)(O)[CH2][CH2][C@@H](N)[C](=O)O
->	?-Glu		50	39	andda	1	[C](=O)(O)[CH2][CH2][CH](N)[C](=O)O
->	L-Glu		27	27	andda	1	[C](=O)(O)[CH2][CH2][C@H](N)[C](=O)O
Gly	nsu*	pep	78	35	02	1,2	Ah_2*N	glycine
->	Gly		189	159	an	1	[CH2](N)[C](=O)O
HSer	nsu	pep	1	1	0122	1,2	A2dh_2*N	homoserine
->	D-HSer		4	4	ando	1	[CH2](O)[CH2][C@@H](N)[C](=O)O
iGln	nsu	pep	1	1	02210	1,4,5	Add2A_4*N_5*N	isoglutamine
->	D-iGln		13	10	addnn	1	[C](=O)(N)[C@@H](N)[CH2][CH2][C](=O)O
->	?-iGln		2	2	addnn	1	[C](=O)(N)[CH](N)[CH2][CH2][C](=O)O
Ile	nsu	pep	1	1	011233	1,2	A2ddm_2*N_3*C	isoleucine
->	?-Ile		9	7	andddd	2	[CH3][CH2][C@@H]([CH3])[C@@H](N)[C](=O)O ; [CH3][CH2][C@H]([CH3])[C@H](N)[C](=O)O
->	L-Ile		6	6	andddd	1	[CH3][CH2][C@H]([CH3])[C@H](N)[C](=O)O
->	D-Ile		2	2	andddd	1	[CH3][CH2][C@@H]([CH3])[C@@H](N)[C](=O)O
Leu	nsu	pep	8	4	012133	1,2	A2ddm_2*N_4*C	leucine
->	?-Leu		13	13	andddd	1	[CH3][CH]([CH3])[CH2][CH](N)[C](=O)O
->	L-Leu		8	6	andddd	1	[CH3][CH]([CH3])[CH2][C@H](N)[C](=O)O
->	D-Leu		4	2	andddd	1	[CH3][CH]([CH3])[CH2][C@@H](N)[C](=O)O
Lys	nsu	pep	33	15	012222	1,2,6	A2dddh_2*N_6*N	lysine
->	L-Lys		161	134	andddn	1	[CH2](N)[CH2][CH2][CH2][C@H](N)[C](=O)O
->	?-Lys		51	39	andddn	1	[CH2](N)[CH2][CH2][CH2][CH](N)[C](=O)O
->	D-Lys		4	1	andddn	1	[CH2](N)[CH2][CH2][CH2][C@@H](N)[C](=O)O
mPmN2	nsu*	pep	9	5	0122210	1,7	A2ddd1A_2*N_6*N	meso-diaminopimelic acid (HOOC-(S)CH(NH2)-CH2-CH2-CH2-(R)CH(NH2)-COOH)
->	mPmN2		61	51	andddna	1	[C](=O)(O)[C@H](N)[CH2][CH2][CH2][C@H](N)[C](=O)O
Nle	nsu	pep	0	0	012223	1,2	A2dddm_2*N	norleucine
Nva	nsu	pep	0	0	01223	1,2	A2ddm_2*N	norvaline
Orn	nsu	pep	5	2	01222	1,2,5	A2ddh_2*N_5*N	ornithine
->	L-Orn		3	3	anddn	1	[CH2](N)[CH2][CH2][C@H](N)[C](=O)O
->	D-Orn		2	1	anddn	1	[CH2](N)[CH2][CH2][C@@H](N)[C](=O)O
Phe	nsu	pep	5	3	012011111	1,2	A2_2*N_2*C(CC^ZCC^ZCC^Z$3)	phenylalanine
->	D-Phe		42	42	andDDDDDD	1	[CH]1=[CH][CH]=[CH][CH]=[C]1[CH2][C@@H](N)[C](=O)O
->	?-Phe		25	21	andDDDDDD	1	[CH]1=[CH][CH]=[CH][CH]=[C]1[CH2][CH](N)[C](=O)O
->	L-Phe		11	11	andDDDDDD	1	[CH]1=[CH][CH]=[CH][CH]=[C]1[CH2][C@H](N)[C](=O)O
Ply	nsu	pep	0	0	012222011213	1,2	A2dddh_2*N_6*NCC^RC^RCC=^ZN$4/5C/3=O	pyrrolysine (N6-{[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-lysine)
Pro	nsu	pep	4	2	01222	1	A2ddh_2-5*N*	proline
->	?-Pro		82	40	anddx	1	[CH2]1[CH2][CH2][CH](N1)[C](=O)(O)
->	L-Pro		11	6	anddx	1	[CH2]1[CH2][CH2][C@H](N1)[C](=O)(O)
->	D-Pro		5	5	anddx	1	[CH2]1[CH2][CH2][C@@H](N1)[C](=O)(O)
RRCetLys	nsu*	pep	0	0	012222013	1,2,7	A2dddh_2*N_6*NC^RCO/4=O/3C	(2R,8R)-N(epsilon)-(1-carboxyethyl)lysine (derived from D-Lys)
Sec	nsu	pep	0	0	012	1,2	A2h_2*N_3*Se	selenocysteine
Ser	nsu	pep	69	33	012	1,2	A2h_2*N	serine
->	?-Ser		172	125	ano	1	[CH2](O)[CH](N)[C](=O)O
->	L-Ser		91	69	ano	1	[CH2](O)[C@H](N)[C](=O)O
->	D-Ser		9	7	ano	1	[CH2](O)[C@@H](N)[C](=O)O
SRCetLys	nsu*	pep	15	5	012222013	1,2,7	A1dddh_2*N_6*NC^RCO/4=O/3C	(2S,8R)-N(epsilon)-(1-carboxyethyl)lysine (derived from L-Lys)
->	SRCetLys		9	9	andddnaxd	1	[CH2](N)[CH2][CH2][CH2][C@H](N[C@H]([CH3])[C](=O)O)[C](=O)O
SSCetLys	nsu*	pep	1	1	012222013	1,2,7	A1dddh_2*N_6*NC^RCO/4=O/3C	(2S,8S)-N(epsilon)-(1-carboxyethyl)lysine (derived from L-Lys)
->	SSCetLys		7	7	andddnaxd	1	[CH2](N)[CH2][CH2][CH2][C@H](N[C@@H]([CH3])[C](=O)O)[C](=O)O
Thr	nsu	pep	64	25	0113	1,2	A21m_2*N	threonine (2S,3R)
->	?-Thr		206	160	anod	2	[CH3][C@H](O)[C@@H](N)[C](=O)O ; [CH3][C@@H](O)[C@H](N)[C](=O)O
->	L-Thr		72	65	anod	1	[CH3][C@@H](O)[C@H](N)[C](=O)O
->	D-Thr		1	1	anod	1	[CH3][C@H](O)[C@@H](N)[C](=O)O
Tyr	nsu	pep	3	3	012011011	1,2	A2_2*N_2*C(CC^ZCC^ZCC^Z$3)/6O	tyrosine
->	?-Tyr		64	64	andDDDODD	1	[CH]1=[CH][C](O)=[CH][CH]=[C]1[CH2][CH](N)[C](=O)O
->	L-Tyr		8	7	andDDDODD	1	[CH]1=[CH][C](O)=[CH][CH]=[C]1[CH2][C@H](N)[C](=O)O
->	D-Tyr		8	8	andDDDODD	1	[CH]1=[CH][C](O)=[CH][CH]=[C]1[CH2][C@@H](N)[C](=O)O
Val	nsu	pep	8	3	01133	1,2	A2dm_2*N_3*C	valine
->	?-Val		69	59	anddd	1	[CH3][CH]([CH3])[CH](N)[C](=O)O
->	L-Val		24	9	anddd	1	[CH3][CH]([CH3])[C@H](N)[C](=O)O
2,4HO3,3,4MePro-5-oxo	nsu		1	1	00000333	1	AxCXA-2x_2-5*N*_3*C_3*C_4*C	2,4-dihydroxy-3,3,4-trimethyl-5-oxoproline
->	?-2,4HO3,3,4MePro-5-oxo		4	4	aodoNddd	1	[C](=O)1[C]([CH3])(O)[C]([CH3])([CH3])[C](O)(N1C)[C](=O)(O)
2HOGlt	nsu		1	1	01220	1,2,5	*1OCC^XCCCO*5/7=O/4O*2/3=O	2-hydroxyglutaric acid
->	S-2HOGlt		4	4	aodda	1	[C](=O)(O)[CH2][CH2][C@H](O)[C](=O)(O)
->	R-2HOGlt		1	1	aodda	1	[C](=O)(O)[CH2][CH2][C@@H](O)[C](=O)(O)
2HOSuc	nsu		8	4	0120	1,2,4	*1OCC^XCCO*4/6=O/4O*2/3=O	malic acid (2-hydroxysuccinic acid)
->	?-2HOSuc		14	14	aoda	1	[C](=O)(O)[CH2][CH](O)[C](=O)(O)
->	S-2HOSuc		6	6	aoda	1	[C](=O)(O)[CH2][C@H](O)[C](=O)(O)
->	R-2HOSuc		6	5	aoda	1	[C](=O)(O)[CH2][C@@H](O)[C](=O)(O)
2NBz	nsu*		1	1	0011110	7	*7OC(CC^ECC^ZCC^Z$4)/5N*2/3=O	2-aminobenzoic acid (anthranilic acid)
->	2NBz		8	8	DNDDDDa	1	[CH]1=[CH][CH]=[CH][C](N)=[C]1[C](=O)O
3,4,8HOPhet	nsu*		4	4	01001122	8	*8OCC(CC^ECC^ECC^Z$4$5)/8O*4/7O*3	3,4,8-trihydroxy-ethylbenzene (phenylethan-3,4,8-triol, hydroxytyrosol)
->	3,4,8HOPhet		199	199	DDOODDdo	1	[CH]1=[CH][C](O)=[C](O)[CH]=[C]1[CH2][CH2]O
3,4HO1,3MePro-5-oxo	nsu		7	3	0101033	1	AxXxA_2-5*N*/2C_3*C	3,4-dihydroxy-N,3-dimethyl-5-oxoproline
->	D-3,4HO1,3MePro-5-oxo		3	3	anooNdd	1	[C](=O)1[CH](O)[C]([CH3])(O)[C@@H](N1C)[C](=O)(O)
3HO2,3MePro-5-oxo	nsu		4	4	0002033	1	AaXdA-2x_2-5*N*_2*C_3*C	3-hydroxy-2,3-dimethyl-5-oxoproline (RR, SS, RS, SR = unknown)
->	?-3HO2,3MePro-5-oxo		15	15	anodNdd	1	[C](=O)1[CH2][C]([CH3])(O)[C]([CH3])(N1)[C](=O)(O)
3HO3MeGlt	nsu		2	2	020203	1,5	*1OCCC^XCCO*5/7=O/5C/5O*3/3=O	3-hydroxy-3-methylglutaric acid
->	?-3HO3MeGlt		39	39	adodad	1	[C](=O)(O)[CH2][C]([CH3])(O)[CH2][C](=O)(O)
->	R-3HO3MeGlt		6	6	adodad	1	[C](=O)(O)[CH2][C]([CH3])(O)[CH2][C](=O)(O)
->	S-3HO3MeGlt		1	1	adodad	1	[C](=O)(O)[CH2][C]([CH3])(O)[CH2][C](=O)(O)
4HOBz	nsu*		2	1	0110110	7	*7OC(CC^ZCC^ECC^Z$4)/7O*4/3=O	4-hydroxybenzoic acid (p-hydroxybenzoic)
->	4HOBz		46	40	DDDODDa	1	[CH]1=[CH][C](O)=[CH][CH]=[C]1[C](=O)O
4NBz	nsu*		1	1	0110110	7	*7OC(CC^ZCC^ECC^Z$4)/7N*4/3=O	4-aminobenzoic acid
->	4NBz		10	10	DDDNDDa	1	[CH]1=[CH][C](N)=[CH][CH]=[C]1[C](=O)O
Ac	mva*		18421	3381	03	1	*OCC/3=O	acetic acid
->	Ac		28632	13603	ad	1	[CH3][C](=O)O
Aep	nsu*		22	6	022	1	*1OPCCN*3/3O/3=O	2-amino-ethylphosphonic acid
->	Aep		38	32	adn	1	[CH2](N)[CH2][1P](=O)(O)O
Allyl	mva*		9	5	212	1	*OCC=C	allyl alcohol
->	Allyl		88	88	oDD	1	[CH2]=[CH][CH2]O
Am	mva*		113	62	13	1	*OCC/3=N	acetimidic acid (HO-C(=NH)-CH3)
->	Am		230	214	ad	1	[CH3][C](=N)O
Apigenin	nsu*		8	7	0010010100011011	5,7,54	@apigenin~	5,7,4'-trihydroxyflavone (atom 1 is O)
->	Apigenin		130	130	.DDxODODDDDDDODD	1	O=C(C1=[C](O)[CH]=[C](O)[CH]=C1O2)[CH]=C2C3=CC=[C](O)C=C3
Bn	mva*		29	8	0111112	7	*OC(CC^ZCC^ZCC^Z$4)	benzoic alcohol
->	Bn		45	45	DDDDDDo	1	[CH]1=[CH][CH]=[CH][CH]=[C]1[CH2]O
Bz	mva*		5	1	0111110	7	*OC(CC^ZCC^ZCC^Z$4)/3=O	benzoic acid
->	Bz		191	163	DDDDDDa	1	[CH]1=[CH][CH]=[CH][CH]=[C]1[C](=O)O
C	nsu*		2	1	0	1	*OCO*/3=O	carbonic acid
->	C		41	7	a	1	[C](O)(O)=O
Caf	nsu*		3	3	010011110	9	*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8O*3/3=O	caffeic acid (E-3-(3,4-dihydroxyphenyl)-2-propenoic)
->	Caf		274	272	DDOODDDDa	1	[CH]1=[CH][C](O)=[C](O)[CH]=[C]1/[CH]=[CH]/[C](=O)O
CetEtN	nsu		2	2	22130	1,5	*1OCCNC^XCO*3/7=O/6C	2-(1-carboxyethylamino)ethanol [N-(2-hydroxyethyl)alanine]
->	R-CetEtN		6	6	oxnda	1	[CH3][C@@H](N[CH2][CH2]O)[C](=O)O
Cho	nsu*		115	37	22?	1	*OCCNC/5C/5C	choline (2-(trimethylammonio)ethanol)
->	Cho		351	277	odx	1	C[N+](C)(C)[CH2][CH2]O
Cin	nsu*		7	3	011111110	9	*OCC=^EC(CC^ZCC^ZCC^Z$4)/3=O	cinnamic acid (E-3-phenylprop-2-enoic)
->	Cin		95	92	DDDDDDDDa	1	[CH]1=[CH][CH]=[CH][CH]=[C]1/[CH]=[CH]/[C](=O)O
Cm	mva*		31	13	0	1	*NCO/3=O	carbamic acid (H2N-COOH) (WURCS is given for N-linked Cm)
->	Cm		205	177	?	1	[C](=O)(O)N
Cyanidin	nsu*		1	1	0001010100010011	3,5,7,53,54	@cyanidin~	3,3',4',5,7-pentahydroxyflavylium (atom 1 is O)
->	Cyanidin		108	108	.DODODODDDDDOODD	1	O[C]1=C(C2=CC=[C](O)[C](O)=C2)[O+]=C3[CH]=[C](O)[CH]=[C](O)C3=C1
EtN	nsu*		707	284	22	1	*1OCCN*2	2-aminoethanol (ethanolamine)
->	EtN		2068	1565	on	1	[CH2](N)[CH2](O)
Fo	mva*		266	43	0	1	*OC=O	formic acid
->	Fo		303	184	a	1	[CH](=O)O
Glt	nsu*		0	0	02220	1,5	*OCCCCCO*/7=O/3=O	glutaric acid (HOOC-CH2-CH2-CH2-COOH)
INO	nsu*		10	2		1	QQQQQQ	superclass: any inositol
->	INO		142	140	<ANY>	1	
Kaempferol	nsu*		5	5	0000010100011011	3,5,7,54	@kaempferol~	3,5,7,4'-tetrahydroxyflavone (atom 1 is O)
->	Kaempferol		272	272	.DOxODODDDDDDODD	1	O[C]1=C(C2=CC=[C](O)C=C2)OC3=C([C](O)=[CH][C](O)=[CH]3)C1=O
Mal	nsu*		12	6	020	1,3	*OCCCO*/5=O/3=O	malonic acid (HOOC-CH2-COOH)
->	Mal		123	122	ada	1	[C](=O)(O)[CH2][C](=O)(O)
MVA	mva*		0	0		1		superclass: any monovalent residue
Myricetin	nsu*		1	1	0000010100010001	3,5,7,53,54,55	@myricetin~	3,5,7,3',4',5'-hexahydroxyflavone (atom 1 is O)
->	Myricetin		44	44	.DOxODODDDDDOOOD	1	O[C]1=C(C2=C[C](O)=[C](O)[C](O)=C2)OC3=C([C](O)=[CH][C](O)=[CH]3)C1=O
NH2	mva*		119	59	0	1	*N	ammonia
->	NH2		306	209	n	1	[1NH3]
nucA	nsu*		61	11	1111210001	3	a222h-1b_1-4_1*(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5*OPO/3O/3=O	adenosine (A, bDRibf + 6-aminopurine)
->	nucA		58	45	xoodoDDDND	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[CH]=N[C]3=[C]2N=[CH]N=[C](N)3)1
nucC	nsu*		19	7	111120011	3	a222h-1b_1-4_1*NCN=^ECC=^ZC$2/5N/3=O_5*OPO/3O/3=O	cytidine (C, bDRibf + 4-amino-1H-pyrimidine-2-one)
->	nucC		64	54	xoodoxNDD	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[C](=O)N=[C](N)[CH]=[CH]2)1
nucdA	nsu*		15	3	1211210001	3	ad22h-1b_1-4_1*(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5*OPO/3O/3=O	deoxyadenosine (dA, bD2dRibf + 6-aminopurine)
->	nucdA		14	7	xdodoDDDND	1	[CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[CH]=N[C]3=[C]2N=[CH]N=[C](N)3)1
nucdG	nsu*		9	3	1211200001	3	ad22h-1b_1-4_1*(NC^ZCN^ZC$2)/4CNC=^ZN$3/10N/8=O_5*OPO/3O/3=O	deoxyguanosine (dG, bD2dRibf + 2-amino-6-hydroxypurine)
->	nucdG		21	14	xdodoNDDND	1	[CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[CH]=N[C]3=[C]2N=[C](N)N[C](=O)3)1
nucdT	nsu*		13	7	1211200013	3	ad22h-1b_1-4_1*NCNCC=^ZC$2/6C/5=O/3=O_5*OPO/3O/3=O	deoxythymidine (dT, bD2dRibf + 5-methyluracil)
->	nucdT		84	59	xdodoNNDDd	1	[CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[C](=O)[53NH][C](=O)[C]([CH3])=[CH]2)1
nucdU	nsu*		13	2	121120011	3	ad22h-1b_1-4_1*NCNCC=^ZC$2/5=O/3=O_5*OPO/3O/3=O	deoxyuridine (dU, bD2dRibf + 2-oxy-4-oxy-pyrimidine)
->	nucdU		3	3	xdodoxNDD	1	[CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[C](=O)N[C](=O)[CH]=[CH]2)1
nucG	nsu*		40	7	1111200001	3	a222h-1b_1-4_1*(NC^ZCN^ZC$2)/4CNC=^ZN$3/10N/8=O_5*OPO/3O/3=O	guanosine (G, bDRibf + 2-amino-6-hydroxypurine)
->	nucG		66	56	xoodoNDDND	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[CH]=N[C]3=[C]2N=[C](N)N[C](=O)3)1
nucT	nsu*		17	4	1111200013	3	a222h-1b_1-4_1*NCNCC=^ZC$2/6C/5=O/3=O_5*OPO/3O/3=O	thymidine (T, bDRibf + 5-methyluracil)
->	nucT		31	21	xoodoNNDDd	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[C](=O)[53NH][C](=O)[C]([CH3])=[CH]2)1
nucU	nsu*		40	16	111120011	3	a222h-1b_1-4_1*NCNCC=^ZC$2/5=O/3=O_5*OPO/3O/3=O	uridine (U, bDRibf + 2-oxy-4-oxy-pyrimidine)
->	nucU		140	134	xoodoxNDD	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[C](=O)N[C](=O)[CH]=[CH]2)1
Ors	nsu*		15	13	00101003	7	@orsellinic~	2,4-dihydroxy-6-methylbenzoic acid (orsellinic acid), carboxyl group is C7
->	Ors		49	38	DODODDad	1	[C]([CH3])1=[CH][C](O)=[CH][C](O)=[C]1[C](=O)O
P	nsu*		4994	1296	0	0	*OPO*/3O/3=O	phosphoric acid
->	P		11454	6219	a	1	[1P](O)(O)(O)=O
PhNO2	mva*		1	1	011011	1	*O(CC^ZCC^ZCC^Z$3)/7N=O*4/7O	@paranitrolhenol~
->	PhNO2		5	5	ODDxDD	1	[CH]1=[CH][C]([N+]([O-])=O)=[CH][CH]=[C]1(O)
Pp	mva*		45	12	023	1	*OCCC/3=O	propanoic acid
->	Pp		82	43	add	1	[CH3][CH2][C](=O)O
Pro-5-oxo	nsu		0	0	01220	1	AxddA_2-5*N*	5-oxoprolin (pyroglutamic acid, pidolic acid)
Protopanaxadiol20s	nsu*		16	6	221012201021102213303221033333	3,12,20	@20S-protopanaxadiol~	20S-protopanaxadiol (dammar-24-en-3b,12b,20S-triol), atom numbering: https://www.researchgate.net/publication/236080758/figure/fig1/AS:601683658829855@1520463971501/The-structure-and-atom-numbering-of-M1.png
->	Protopanaxadiol20s		76	76	ddoddddddddodddddddodddDDddddd	1	O[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])C[C@@H](O)[C@@]4([H])[C@@]3(C)CC[C@@]4([C@@](CC/C=C(C)/C)(C)O)[H])([H])C1(C)C
Protopanaxatriol20s	nsu*		5	5	221011201021102213303221033333	3,6,12,20	@20S-protopanaxatriol~	20S-protopanaxatriol (dammar-24-en-3b,6a,12b,20S-tetrol)
->	Protopanaxatriol20s		38	38	ddoddodddddodddddddodddDDddddd	1	O[C@H]1[C@@]([C@]([C@@](CC/C=C(C)C)(C)O)([H])CC2)([H])[C@]2(C)[C@@](C3)(C)[C@@](C1)([H])[C@](CC4)(C)[C@@](C(C)(C)[C@H]4O)([H])[C@H]3O
Pyr	nsu		434	207	003	2	*OC^XO*/3CO/6=O/3C	pyruvic acetal (2-oxopropanoic acid acetal)
->	?-Pyr		255	222	aAd	1	[CH3][C](O)(O)[C](=O)O
->	R-Pyr		161	149	aAd	1	[CH3][C](O)(O)[C](=O)O
->	S-Pyr		159	152	aAd	1	[CH3][C](O)(O)[C](=O)O
Quercetin	nsu*		85	24	0000010100010011	3,5,7,53,54	@quercetin~	3,5,7,3',4'-pentahydroxyflavone
->	Quercetin		286	285	.DOxODODDDDDOODD	1	O[C]1=C(C2=C[C](O)=[C](O)C=C2)OC3=C([C](O)=[CH][C](O)=[CH]3)C1=O
RR3HO3MePro-5-oxo	nsu*		2	1	010203	1	A26dA_2-5*N*_3*C	(2R,3R)-3-hydroxy-3-methyl-5-oxoproline
->	RR3HO3MePro-5-oxo		3	3	anodNd	1	[C](=O)1[CH2][C@@]([CH3])(O)[C@@H](N1)[C](=O)(O)
S	nsu*		297	47	0	0	*OSO*/3=O/3=O	sulfuric acid
->	S		700	402	a	1	[1S](O)(O)(=O)=O
Sal	nsu*		3	1	0011110	7	*7OC(CC^ECC^ZCC^Z$4)/5O*2/3=O	2-hydroxybenzoic acid (salicylic acid)
->	Sal		24	24	DODDDDa	1	[CH]1=[CH][CH]=[CH][C](O)=[C]1[C](=O)O
Subst1	*		264	124		1	@Subst1	alias: another substituent
->	peptidoglycan	(atypical)		42		0	
->	hydroxypyridylhomothreonine	(atypical)		20		1	C[C@@H]([C@H](N)C(N)=O)[C@H](O)c1ccc(O)cn1
->	< untitled 0 >	(atypical)		17		1	N/C1=C(C(=O)O)/C(=O)C(O)CC1=O
->	fusicoccin A aglycon	(atypical)		16		1	COC[C@]1(CC[C@]2([H])/C1=C\[C@]3([C@@H](O)CC([C@](COC(C)=O)([H])C)=C3[C@H]([C@@H]([C@@H]2C)O)O)C)[H]
->	sordaricin	(atypical)		12		1	C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3(CO)[C@@H]4C[C@@]2(C=O)[C@@]3(C(O)=O)C(C(C)C)=C4
->	glutaminol	(atypical)		10		1	NC(=O)CCC(N)CO
->	2-methylhexa-2Z,4Z-dienoic acid	(atypical)		9		1	C\C=C/C=C(/C)\C(=O)O
->	< untitled 1 >	(atypical)		9		1	C/C(=C\CO)CC[C@]1(C)[C@@H](C)C/C=C/2[C@H]1CCCC2(C)C
->	2R,31-dihydroxy dotriacontanoic acid	(atypical)		8		1	CC(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(O)=O
->	7-hydroxy-8,14-dimethylhexadeca-2E,4E,8E,10E-tetraenoic acid	(atypical)		8		1	CCC(C)CC/C=C/C=C(C)/C(O)C/C=C/C=C/C(=O)O
->	gabosine E	(atypical)		8		1	O=C1C(CO)=C[C@@H](O)[C@@H](O)[C@@H]1O
->	5-(hydroxymethyl)benzene-1,3-diol	(atypical)		5		1	OC1=CC(O)=CC(CO)=C1
->	(2S,3R,4R)-4-hydroxysphinganine-C18	(atypical)		4		1	CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO
->	2,5-dihydroxyterephthalic acid	(atypical)		4		1	O=C(O)c1cc(O)c(C(=O)O)cc1O
->	2-methylhexa-2Z,4E-dienoic acid	(atypical)		4		1	C/C=C/C=C(/C)\C(=O)O
->	6-amino-hexanol	(atypical)		4		1	OCCCCCCN
->	fusicoccin Q aglycon	(atypical)		4		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@H](CO)C1=C\[C@@]2(C)[C@@H](O)C3
->	ISIR-050 aglycon	(atypical)		4		1	COC[C@]/1(O)CCC3C1=C/[C@]2(C)CC/C(C(C)C)=C2/[C@H](O)[C@@H](O)[C@H]3C
->	sordaricin B	(atypical)		4		1	CC(C)/C3=C/[C@@H]2C[C@]4(C(=O)O)[C@@H]1CC[C@@H](C)[C@H]1C[C@@]2(CO)[C@]34C(=O)O
->	hexa-2Z,4E-dienoic acid	(atypical)		3		1	C/C=C/C=C\C(=O)O
->	(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C14	(atypical)		2		1	C/C(CCCCC)=C\CC/C=C/[C@@H](O)[C@@H](N)CO
->	(Z)-2-methyl-3-((2'S,3S,3'S)-3'-methyl-[2,2'-bioxiran]-3-yl)acrylic acid	(atypical)		2		1	C/C(=C/[C@@H]1OC1[C@H]2O[C@H]2C)C(=O)O
->	16-O-demethyl 3-epifusicoccin J aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@@H](CO)C1=C\[C@@]2(C)[C@@H](O)C3
->	2,3-dihydroxy-undec-4-enoic acid	(atypical)		2		1	CCCCCC/C=C/C(O)C(O)C(=O)O
->	2,4-dihydroxyhexanedioic acid	(atypical)		2		1	O=C(O)CC(O)CC(O)C(=O)O
->	2-((S)-oxiran-2-yl)propane-1,2-diol	(atypical)		2		1	CC(O)([C@H]1OC1)CO
->	2-amino-6-methyldec-6-en-1-ol	(atypical)		2		1	CCC/C=C(C)/CCC[C@@H](N)CO
->	2-methylhexa-2E,4E-dienoic acid	(atypical)		2		1	C\C=C/C=C(/C)/C(=O)O
->	2-methylhexa-2E,4Z-dienoic acid	(atypical)		2		1	C/C=C/C=C(\C)\C(=O)O
->	2R-hydroxy-pentadec-3E-enoic acid	(atypical)		2		1	CCCCCCCCCCC/C=C/[C@@H](O)C(O)=O
->	3,4-dihydroxybenzoic acid, protocatehuic acid	(atypical)		2		1	O=C(O)C1=CC(O)=C(O)C=C1
->	3-methylbut-2-en-1-ol	(atypical)		2		1	OC/C=C(C)/C
->	3-α-hydroxyfusicoccin J aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@](O)(CO)C1=C\[C@@]2(C)[C@@H](O)C3
->	34-carboxyl-2β-methyl-bacteriohopane-32,33-diol	(atypical)		2		1	CC(CCC(O)C(O)C(O)=O)C1C2CC[C@@]3(C)[C@]4(C)CCC5C(C)(C)C[C@@H](C)C[C@]5(C)C4CCC3[C@@]2(C)CC1
->	5-pentylbenzene-1,3-diol	(atypical)		2		1	OC1=CC(CCCCC)=CC(O)=C1
->	7-hydroxytetradeca-2E,4E,8E,10E-tetraenoic acid	(atypical)		2		1	CCC/C=C/C=C/C(O)C/C=C/C=C/C(=O)O
->	deacetylfusicoccin A aglycon	(atypical)		2		1	COC[C@]1(CC[C@]2([H])/C1=C\[C@]3([C@@H](O)CC([C@](CO)([H])C)=C3[C@H]([C@@H]([C@@H]2C)O)O)C)[H]
->	FC-THF aglycon	(atypical)		2		1	COC[C@@H]3CCC\4C[C@H](O)[C@@H](O)/C2=C(C(C)C)/[C@H]1CCO[C@H]1[C@@]2(C)/C=C34
->	fusicoccin R aglycon	(atypical)		2		1	C[C@@H](CO)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@](O)(CO)C1=C\[C@@]2(C)[C@@H](O)C3
->	ISIR-005 aglycon	(atypical)		2		1	COC[C@@H]2CCC\3C[C@H](O)[C@@H](O)/C1=C(C(C)C)/CC[C@@]1(C)/C=C23
->	tyramine	(atypical)		2		1	NCCc1ccc(O)cc1
->	(2E,4E)-7-hydroxydeca-2,4-dienoic acid	(atypical)		1		1	CCCC(O)C/C=C/C=C/C(=O)O
->	(2E,4E,12E)-7-hydroxy-8,14-dimethylhexadeca-2,4,12-trienoic acid	(atypical)		1		1	CCC(C)/C=C/CCCC(C)C(O)C/C=C/C=C/C(=O)O
->	(2E,4E,8E,10E)-7-hydroxy-8-methyltetradeca-2,4,8,10-tetraenoic acid	(atypical)		1		1	CCC/C=C/C=C(C)/C(O)C/C=C/C=C/C(=O)O
->	(2R,3R)-2-methylbutane-1,2,3-triol	(atypical)		1		1	C[C@H]([C@@](O)(C)CO)O
->	(2S)-4-amino-2-hydroxybutanoic acid	(atypical)		1		1	O=C(O)[C@@H](O)CCN
->	(2S)-sphinganine-C23	(atypical)		1		1	OC[C@H](N)C(O)CCCCCCCCCCCCCCCCCCCC
->	(2S,3R)-8-methyl-4E,7E-sphingadienine-C17	(atypical)		1		1	CCCCCCCCC/C(C)=C/C/C=C/[C@@H](O)[C@@H](N)CO
->	(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C13	(atypical)		1		1	CCCC/C(C)=C/CC/C=C/[C@@H](O)[C@@H](N)CO
->	(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C16	(atypical)		1		1	C/C(CCCCCCC)=C\CC/C=C/[C@@H](O)[C@@H](N)CO
->	(2S,3R,7E)-7-methyl-7-sphingenine-C11	(atypical)		1		1	CCC/C=C(C)/CCC[C@H]([C@H](CO)N)O
->	(2S,3S,4R)-3-hydroxy-4-methoxy-1,3-dimethyl-5-oxopyrrolidine-2-carboxamide	(atypical)		1		1	O=C([C@H]([C@](C)(O)[C@H]1OC)N(C)C1=O)N
->	(2S,4E,17E,19E)-18-methyl-4,17,19-sphingatrienine-C32	(atypical)		1		1	OC([C@H](CO)N)/C=C/CC/C=C/CCCCCCC/C=C(C)/C=C/CCCCCCCCCCCC
->	(2S,4E,8E)-9-methyl-4,8-sphingadienine-C18	(atypical)		1		1	CCCCCCCCC/C(C)=C/CC/C=C/C(O)[C@@H](N)CO
->	(2Z,5E)-7-hydroxy-2-methyl-4-oxoocta-2,5-dienoic acid	(atypical)		1		1	C/C(=C/C(=O)/C=C/C(C)O)C(=O)O
->	(E)-1-carboxy-4-(N,5-dihydroxy-3-methylpent-2-enamido)-N,N-dimethylbutan-1-amine oxide	(atypical)		1		1	C/C(=C\C(=O)N(O)CCCC(C(=O)O)N(C)(C)=O)CCO
->	(E)-5-(N,5-dihydroxy-3-methylpent-2-enamido)-2-(dimethylamino)pentanoic acid	(atypical)		1		1	C/C(=C\C(=O)N(O)CCCC(C(=O)O)N(C)C)CCO
->	2,3-butanediol	(atypical)		1		1	CC(O)C(O)C
->	2-aminoheptanedioic acid, 2-aminopimelic acid	(atypical)		1		1	OC(CCCC[C@H](N)C(O)=O)=O
->	2-methylbut-3-en-2-ol	(atypical)		1		1	CC(C=C)(C)O
->	2R,16S,17R,21S-tetrahydroxyhexacosanoic acid	(atypical)		1		1	CCCCC[C@H](O)CCC[C@@H](O)[C@@H](O)CCCCCCCCCCCCC[C@@H](O)C(=O)O
->	2R-hydroxynonadecanoic acid	(atypical)		1		1	CCCCCCCCCCCCCCCCC[C@@H](O)C(O)=O
->	4,6-dimethyl-2-hydroxypyrimidine	(atypical)		1		1	Cc1cc(C)nc(O)n1
->	5-aminopentanol	(atypical)		1		1	NCCCCCO
->	7-hydroxydodeca-2E,4E,8E,10E-tetraenoic acid	(atypical)		1		1	C/C=C/C=C/C(O)C/C=C/C=C/C(=O)O
->	carnemycin H aglycon	(atypical)		1		1	OC1=CC(O)=C(C(O)=O)C(CC/C=C/C=C/CCC)=C1
->	crotonic acid	(atypical)		1		1	C/C=C/C(O)=O
->	hexa-2E,4Z-dienoic acid	(atypical)		1		1	C/C=C\C=C\C(=O)O
->	iso-(R)-3-hydroxyundecanoic acid (iso-11:0 (3-OH))	(atypical)		1		1	CC(C)CCCCC[C@@H](O)CC(O)=O
->	O-antigen (ID11207)	(atypical)		1		0	
->	O-linked carbamic acid	(atypical)		1		1	C(O)(N)=O
->	sebacic acid	(atypical)		1		1	O=C(O)CCCCCCCCC(=O)O
->	TBDPS	(atypical)		1		1	CC(C)([Si](C1=CC=CC=C1)(C2=CC=CC=C2)O)C
->	β-D-1-deoxy-amicetose	(atypical)		1		1	C[C@@H](O1)[C@@H](O)CCC1
Subst2	*		113	34		1	@Subst2	alias: another substituent
->	linker	(atypical)		42		0	
->	uracil-5-carboxylic acid	(atypical)		12		1	O=C(O)c1c[nH]c(=O)[nH]c1=O
->	5-hydroxymethyluracil	(atypical)		8		1	O=c1[nH]cc(CO)c(=O)[nH]1
->	thymine	(atypical)		8		1	Cc1c[nH]c(=O)[nH]c1=O
->	uracil	(atypical)		8		1	O=c1cc[nH]c(=O)[nH]1
->	25-hydroxy-hexacosanoic acid	(atypical)		3		1	CC(O)CCCCCCCCCCCCCCCCCCCCCCCC(O)=O
->	< untitled 0 >	(atypical)		3		1	CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O
->	< untitled 1 >	(atypical)		3		1	OC(CCCC[C@H]1[C@]([H])([C@]([H])(CS1)N2)NC2=O)=O
->	3S-hydroxy-L-asparagine	(atypical)		2		1	N[C@H](C(=O)O)[C@H](O)C(=O)O
->	5-(hydroxymethyl)benzene-1,3-diol	(atypical)		2		1	OC1=CC(O)=CC(CO)=C1
->	carbamic acid methyl ester	(atypical)		2		1	COC(N)=O
->	isolauric acid	(atypical)		2		1	CC(C)CCCCCCCCC(=O)O
->	< untitled 2 >	(atypical)		2		1	C=C(C/C=C(C)/CC/C=C(C)\C)CCC(C)(C)/C=C/CC/C(C)=C\CO
->	< untitled 3 >	(atypical)		2		1	c1[nH]c(C[C@H]([N+](C)(C)C)C(O)=O)cn1
->	(2S,3S,4R)-2-carbamoyl-3-hydroxy-4-methoxy-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid	(atypical)		1		1	O=C([C@]([C@](C)(O)[C@H]1OC)(C(N)=O)N(C)C1=O)O
->	15-hydroxypentadecanoic acid	(atypical)		1		1	O=C(O)CCCCCCCCCCCCCCO
->	2,4,6,8-tetramethylhexacosanoic acid	(atypical)		1		1	CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(=O)O
->	2-(p-tolyl)ethylamine	(atypical)		1		1	Cc1ccc(CCN)cc1
->	2R,17S,18R,22R-tetrahydroxyhexacosanoic acid	(atypical)		1		1	CCCC[C@@H](O)CCC[C@@H](O)[C@@H](O)CCCCCCCCCCCCCC[C@@H](O)C(=O)O
->	3,5-dichloro-2-ethyl-4,6-dihydroxybenzoic acid	(atypical)		1		1	CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O
->	3,5-dihydroxybenzyl alcohol	(atypical)		1		1	OCc1cc(O)cc(O)c1
->	6-deoxy-HexN	(atypical)		1		0	
->	biotin	(atypical)		1		1	OC(CCCC[C@H]1[C@]([H])([C@]([H])(CS1)N2)NC2=O)=O
->	heptylamine, 1-aminoheptane	(atypical)		1		1	CCCCCCCN
->	isononanoic acid (iso-9:0)	(atypical)		1		1	CC(C)CCCCCC(O)=O
->	< untitled 4 >	(atypical)		1		1	CN1C(=O)C[C@@](C)(O)C1(C(N)=O)C(=O)O
->	< untitled 5 >	(atypical)		1		1	C[C@@H](c1ccccc1)[C@H](N)C(=O)O
Subst3	*		12	3		1	@Subst3	alias: another substituent
->	4-hydroxyphenyl-glycine	(atypical)		2		1	NC(C(=O)O)c1ccc(O)cc1
->	2-(4-fluorophenyl)ethanamine	(atypical)		1		1	NCCc1ccc(F)cc1
->	< untitled 0 >	(atypical)		1		1	CN1C(=O)[C@H](O)[C@@](C)(O)C1(C(N)=O)C(=O)O
Subst4	*		3	2		1	@Subst4	alias: another substituent
->	3-chloro-4-hydroxyphenyl-L-glycine	(atypical)		2		1	N[C@H](C(=O)O)c1ccc(O)c(Cl)c1
->	< untitled 0 >	(atypical)		1		1	CN1C(=O)[C@H](O)[C@@](C)(O)C1C(N)=O
Subst5	*		0	0		1	@Subst5	alias: another substituent
Subst	*		3122	1452		1	@Subst	alias: another substituent
->	2-aminobenzamide	(atypical)		253		1	C1=CC=C(C(=C1)C(=O)N)N
->	2-aminopyridine	(atypical)		78		1	Nc1ccccn1
->	adenine	(atypical)		74		2	Nc1ncnc2[nH]cnc12 ; C1=NC2=NC=NC(=C2N1)N
->	O-methyl phosphamide (OHPO(NH2)OMe)	(atypical)		66		1	OP(OC)(N)=O
->	20R,24S-epoxy-9,19-cyclolanostane-3β,6α,16β,25-tetrol, astramembrangenin, cycloastragenol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C3)C43CC[C@]5(C)[C@@H]([C@](C)(O6)CC[C@H]6{25}C(C)(O)C){16}[C@@H](O)C[C@](C)5[C@]4([H])C{6}[C@H](O)[C@@]12[H]	(atypical)		44		0	
->	sordaricin	(atypical)		38		1	C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3(CO)[C@@H]4C[C@@]2(C=O)[C@@]3(C(O)=O)C(C(C)C)=C4
->	phloretin	(atypical)		36		1	O=C(C1=C(C=C(C=C1O)O)O)CCC2=CC=C(O)C=C2
->	protein	(atypical)		33		0	
->	ginsenoside Rh2(R) aglycon	(atypical)		32		1	C/C(C)=C\CC[C@](C)(O)C1CC[C@]4(C)C1[C@H](O)CC3[C@@]2(C)CC[C@H](O)[C@@](C)(C)C2CC[C@]34C
->	2-methylbut-3-en-2-ol	(atypical)		28		1	C=CC(C)(C)O
->	cholesterol	(atypical)		28		1	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
->	< untitled 0 >	(atypical)		27		1	C/C(=C\C[n+]2cnc1[nH]cnc1c2N)CC[C@]3(C)[C@@H](C)C/C=C/4[C@H]3CCCC4(C)C
->	3,5-dihydroxydecanoic acid	(atypical)		26		3	CCCCCC(O)CC(O)CC(O)=O ; CCCCC[C@@H](O)C[C@@H](O)CC(=O)O ; CCCCCC(O)CC(O)CC(O)=O
->	2,4,6,8,10,12,14,16,18-nonamethyl-5,9,13-trihydroxy-2E,6E,10E-icosatrienoic acid	(atypical)		25		1	CC[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/C(O)=O
->	(4E,8E)-2-amino-9-methyloctadeca-4,8-diene-1,3,7-triol	(atypical)		19		1	CCCCCCCCC/C(C)=C/C(O)C/C=C/C(O)C(N)CO
->	2-heptyl-4,6-dihydroxybenzoic acid	(atypical)		19		1	OC1=CC(O)=CC(CCCCCCC)=C1C(O)=O
->	Ac or O-linked Cm	(atypical)		18		0	
->	β-sitosterol	(atypical)		18		1	O[C@H](C1)CC[C@@]2(C)C1=CC[C@]3([H])[C@@]2([H])CC[C@@]4(C)[C@]3([H])CC[C@]4([C@@H](C)CC[C@@H](CC)C(C)C)[H]
->	cotylenol	(atypical)		17		1	COC[C@@]1(O)CC[C@H]2/C1=C\[C@@]3(C)CCC(C(C)C)=C3[C@@H](O)[C@H](O)[C@@H]2C
->	isopimara-7,15-diene-2α,3β,19-triol	(atypical)		17		1	C[C@@]1(CCC2[C@@](C)(C[C@@H](O)[C@@H]([C@@]3(CO)C)O)C3CC=C2C1)C=C
->	isopimara-7,15-diene-3β,19-diol	(atypical)		17		1	C[C@](C1)(C=C)CCC2C1=CCC3[C@]2(C)CCC(O)[C@]3(C)CO
->	3-aminopropanol	(atypical)		16		1	NCCCO
->	ergosterol	(atypical)		16		1	O[C@@H]4C/C3=C/C=C1\[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@H](C)C(C)C)C)C)[C@@]3(C)CC4
->	propanolamine	(atypical)		16		1	OCCCN
->	rogerson aglycon	(atypical)		16		1	CC[C@H](C)C[C@H](C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/C(=O)O
->	(S,E)-6,7,8-trihydroxy-3-(pent-3-en-1-yl)isochroman-1-one	(atypical)		15		1	C/C=C/CC[C@H]1CC2=C(C(O1)=O)C(O)=C(O)C(O)=C2
->	emodin	(atypical)		15		1	OC(C=C(C=C1C(C2=C3C(O)=CC(O)=C2)=O)C)=C1C3=O
->	paulic acid	(atypical)		15		1	C/C=C(N=C=S)/C(=O)O
->	polypeptide	(atypical)		15		0	
->	α-1,6-mannan backbone	(atypical)		15		0	
->	(3S,4aR,5aS,6S,9R,9aR,11bR)-9-((1S)-1-(3-((2R)-4-hydroxy-3-methylbutan-2-yl)oxiran-2-yl)ethyl)-9a,11b-dimethyl-1,2,3,4,5a,6,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol	(atypical)		14		1	CC(CO)[C@@H](C)C1OC1[C@@H](C)[C@H]6CC/C5=C/4[C@H](O)[C@@H]2O[C@@]23C[C@@H](O)CC[C@]3(C)C4CC[C@@]56C
->	caloporoside aglycon	(atypical)		14		1	C[C@H](CCCCCCCCCCCCCCCC1=C(C(O)=O)C(O)=CC=C1)O
->	egonol	(atypical)		14		1	COC1=C2C(=CC(=C1)CCCO)C=C(O2)C3=CC4=C(C=C3)OCO4
->	flavonol	(atypical)		14		1	O=C1C(O)=C(OC2=C1C=CC=C2)C3=CC=CC=C3
->	naringenin	(atypical)		14		1	O=C1CC(C2=CC=C(O)C=C2)OC3=CC(O)=CC(O)=C13
->	luteolin	(atypical)		13		1	C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
->	mycosporine	(atypical)		13		1	CO/C1=C(O)/CC(O)(CO)CC1=O
->	4-methylumbelliferone, hymecromone	(atypical)		12		1	CC1=CC(OC2=C1C=CC(O)=C2)=O
->	daidzein	(atypical)		12		1	O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=CC(O)=C3
->	O-antigen (ID 11994)	(atypical)		12		0	
->	OPS linker	(atypical)		12		0	
->	hypoxanthine	(atypical)		11		2	O=c1[nH]cnc2[nH]cnc12 ; O=c1nc[nH]c2[nH]cnc12
->	(2R,3S,4E,8E)-9-methyl-4,8-sphingadienine-C18	(atypical)		10		1	CCCCCCCCC/C(C)=C/CC/C=C/[C@@H]([C@@H](CO)N)O
->	genistein	(atypical)		10		1	O=C1C(C2=CC=C(O)C=C2)=COC3=C1C(O)=CC(O)=C3
->	HT2 toxin	(atypical)		10		1	CC1=C[C@@H]2[C@]([C@@]3(C)[C@H](O)[C@@H](O)[C@@H](O2)[C@@]34CO4)(COC(C)=O)C[C@@H]1OC(CC(C)C)=O
->	N-methyl-4-propyl-L-proline	(atypical)		10		1	CCC[C@@H]1C[C@@H](C(=O)O)N(C)C1
->	(R)-3-aminobutyric acid	(atypical)		9		2	C[C@H](CC(=O)O)N ; C[C@@H](N)CC(O)=O
->	(Z)-N-hydroxybut-3-enimidothioic acid	(atypical)		9		1	C=CC/C(S)=N/O
->	16-hydroxyisopimar-7-en-19-oic acid	(atypical)		9		1	C[C@]1(C(O)=O)CCC[C@@]2(C)[C@H]1CC=C3[C@@H]2CC[C@](C)(CCO)C3
->	2-methyl-hypoxanthine	(atypical)		9		1	Cc2nc1[nH]cnc1c(=O)[nH]2
->	3-oxo-isopimara-7(8),15-diene-19-ol	(atypical)		9		1	C[C@@]1(CCC2[C@@](C)(CCC([C@@]3(CO)C)=O)C3CC=C2C1)C=C
->	34-carboxyl-bacteriohopane-32,33-diol	(atypical)		9		1	CC(CCC(O)C(O)C(O)=O)C1C2CC[C@@]3(C)[C@]4(C)CCC5C(C)(C)CCC[C@]5(C)C4CCC3[C@@]2(C)CC1
->	epipyrone aglycon	(atypical)		9		1	CCC(CC(/C=C(C(O)=O)/C=C(/C=C/C=C/C=C/C=C/C=C/C1=CC(O)=C(C(O1)=O))C)C)C
->	pinoresinol	(atypical)		9		1	OC1=C(OC)C=C(C2C3COC(C4=CC(OC)=C(O)C=C4)C3CO2)C=C1
->	purine	(atypical)		9		1	c2ncc1nc[nH]c1n2
->	< untitled 1 >	(atypical)		9		1	N/C1=C(C(=O)O)/C(=O)C(O)CC1=O
->	unidentified C4H8N5	(atypical)		9		0	
->	zearalenone	(atypical)		9		1	C[C@H]1CCCC(CCC/C=C/C2=CC(O)=CC(O)=C2C(O1)=O)=O
->	(2E,4E,12E)-7-hydroxy-8,14-dimethylhexadeca-2,4,12-trienoic acid	(atypical)		8		1	CCC(C)/C=C/CCCC(C)C(O)C/C=C/C=C/C(=O)O
->	17-hydroxy-ricinoleic acid	(atypical)		8		1	CC(O)CCCCC(O)C/C=C/CCCCCCCC(=O)O
->	17-hydroxyoctadec-9E-enoic acid	(atypical)		8		1	CC(O)CCCCCC/C=C/CCCCCCCC(O)=O
->	2,2-dihydroxypropane	(atypical)		8		1	CC(O)(O)C
->	6,8-dihydroxy-3-hydroxymethylisocoumarin	(atypical)		8		2	O=c1oc(CO)cc2cc(O)cc(O)c12 ; O=c1oc(CO)cc2cc(O)cc(O)c12
->	biotin-PEG6-amine	(atypical)		8		1	[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)NCCCO)[C@@]1([H])NC(=O)N2
->	cytogenin	(atypical)		8		2	COc2cc(O)c1c(=O)oc(CO)cc1c2 ; O=c1oc(CO)cc2cc(O)cc(O)c12
->	eriodictyol	(atypical)		8		1	O=C1C[C@H](OC2=C1C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3
->	F-16438 A aglycon	(atypical)		8		1	C[C@H](CCCCCCCCCCCCCC(=O)CC1=C(C(O)=O)C(O)=CC=C1)O
->	heptane-1,2,3,4,5,6,7-heptol	(atypical)		8		1	OCC(O)C(O)C(O)C(O)C(O)CO
->	phialotide A, B, C, D aglycon	(atypical)		8		1	OC(C(CC)C)C(C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/C(O)=O
->	repeating units of teichoic acid (IDs 12361-12363)	(atypical)		8		0	
->	virescenoside V, Z14 aglycon	(atypical)		8		1	C=C[C@]3(C)/C=C\2C(=O)C[C@H]1[C@@](C)(CO)[C@@H](O)[C@H](O)C[C@]1(C)[C@H]2CC3
->	(2S,3R,4E,8E)-4-hydroxy-9-methyl-4,8-sphingadienine-C18, (4E,8E)-2-amino-4-hydroxy-9-methyloctadeca-4,8-diene-1,3-diol	(atypical)		7		0	
->	2-methylbenzene-1,4-diol	(atypical)		7		1	Cc1cc(O)ccc1O
->	2S-hydroxysebasic acid, 2S-hydroxydecanedioic acid	(atypical)		7		2	O=C(O)CCCCCCC[C@H](O)C(=O)O ; O=C(O)CCCCCCC[C@H](O)C(=O)O
->	ascosteroside C aglycon	(atypical)		7		1	C=C(CC[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C(=O)O)/C4=C(CC[C@]12C)/[C@@]3(C)CC[C@H](O)C(=C)[C@@H]3CC4)C(C)C
->	(2R,3S,4E)-4-sphingenine-C18	(atypical)		6		1	CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](CO)N)O
->	3,4'-dihydroxyflavone	(atypical)		6		1	O=C1C(O)=C(OC2=C1C=CC=C2)C3=CC=C(C=C3)O
->	4'-hydroxy-6-methylflavone	(atypical)		6		1	O=C1C=C(OC2=C1C=C(C)C=C2)C3=CC=C(O)C=C3
->	4,15'-dihydroxyfarnesyltoluquinol	(atypical)		6		1	C/C(CC/C=C(C)/CC/C=C(C)\CO)=C\CC1=CC(O)=C(C)C=C1O
->	4-imino-1,4-dihydro-3-pyridinecarboxylic acid	(atypical)		6		1	N=c1cc[nH]cc1C(=O)O
->	6-hydroxyflavone	(atypical)		6		1	O=C1C=C(OC2=C1C=C(O)C=C2)C3=CC=CC=C3
->	6-hydroxypurine	(atypical)		6		2	OC1=NC=NC2=C1N=CN2 ; OC1=NC=NC2=C1N=CN2
->	7,8-dihydroxy-5-(hydroxymethyl)-2-phenylchroman-4-one	(atypical)		6		1	O=C1CC(C2=CC=CC=C2)OC3=C1C(CO)=CC(O)=C3O
->	7-hydroxyflavone	(atypical)		6		1	O=C1C=C(OC2=C1C=CC(O)=C2)C3=CC=CC=C3
->	7-oxoisopimara-8(9),15-diene-3β,19β-diol	(atypical)		6		1	C[C@](C1)(C=C)CCC([C@@](C2C3)(C)CCC(O)[C@]2(C)CO)=C1C3=O
->	8-hydroxy-6-methylflavone	(atypical)		6		1	O=C1C=C(OC2=C1C=C(C)C=C2O)C3=CC=CC=C3
->	citronellal	(atypical)		6		1	C/C(CO)=C/CCC(CC(O)=O)C
->	corynomycolic acid	(atypical)		6		1	CCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)O
->	ECA (ID 32158)	(atypical)		6		0	
->	erinacine A aglycon	(atypical)		6		1	CC(C)/C3=C/2\C1=C\C=C(C=O)/C[C@H](O)[C@]1(C)CC[C@@]2(C)CC3
->	mogrol	(atypical)		6		1	C[C@@H](CC[C@H](O)C(C)(C)O)[C@H]3CC[C@@]4(C)[C@@H]2C/C=C/1[C@@H](CC[C@H](O)C1(C)C)[C@]2(C)[C@H](O)C[C@]34C
->	O-antigen	(atypical)		6		0	
->	phenylacetic acid	(atypical)		6		2	O=C(O)CC1=CC=CC=C1 ; C1=CC=C(C=C1)CC(=O)O
->	phialotide F, G, H aglycon	(atypical)		6		1	OC(/C(C)=C/C(C(O)C(CC)C)C)C(C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/C(O)=O
->	R-(-)-mellein	(atypical)		6		1	C[C@@H]1CC2=CC=CC(O)=C2C(O1)=O
->	resveratrol	(atypical)		6		1	OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2)C=C1
->	tetradecane-1,13-diol	(atypical)		6		1	CC(O)CCCCCCCCCCCCO
->	(22E,24R)-5α,8α-epidioxyergosta-6,22-diene-3β-ol	(atypical)		5		1	CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]3[C@]1(C)CC[C@@H]4[C@@]2(C)CC[C@H](O)C[C@]25/C=C\[C@]34OO5
->	(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C21	(atypical)		5		1	C/C(CCCCCCCCCCCC)=C\CC/C=C/[C@H]([C@H](CO)N)O
->	(2S,3R,5E,9Z)-5,9-sphingadienine-C19	(atypical)		5		1	O[C@@H]([C@H](CO)N)C/C=C/CC/C=C\CCCCCCCCC
->	(2Z,3E,5E,7E,9E,11E,13E)-14-(3,4-dihydroxy-2-oxo-2H-pyran-6-yl)-2-(4,6-dimethyloctylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid	(atypical)		5		1	CCC(C)CC(C)CC/C=C(C(O)=O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/C(O1)=CC(O)=C(O)C1=O
->	(2Z,3Z,5E,7E,9E,11E,13E)-14-(3,4-dihydroxy-2-oxo-2H-pyran-6-yl)-2-(4,6-dimethyloctylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid	(atypical)		5		1	CCC(C)CC(C)CC/C=C(C(O)=O)/C=C(\C=C\C=C\C=C\C=C\C=C\C(O1)=CC(O)=C(O)C1=O)C
->	(E)-6,7,8-trihydroxy-3-(pent-3-en-1-yl)-1H-isochromen-1-one	(atypical)		5		1	C/C=C/CCC1=CC2=C(C(O1)=O)C(O)=C(O)C(O)=C2
->	(S,E)-5,6,8-trihydroxy-3-(pent-3-en-1-yl)isochroman-1-one	(atypical)		5		1	C/C=C/CC[C@H]1CC2=C(C(O1)=O)C(O)=CC(O)=C2O
->	(S,E)-6,8-dihydroxy-3-(pent-3-en-1-yl)isochroman-1-one	(atypical)		5		1	C/C=C/CC[C@H]1CC2=C(C(O1)=O)C(O)=CC(O)=C2
->	15-((tert-butyldiphenylsilyl)oxy)pentadecanoic acid	(atypical)		5		1	O=C(O)CCCCCCCCCCCCCCO[Si](C(C)(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
->	16-hydroxynorisopimar-7-en-4-ol	(atypical)		5		1	C[C@@]12[C@](CC=C3[C@]2([H])CC[C@](C)(CCO)C3)([H])[C@](C)(O)CCC1
->	2,4-dihydroxy-6-pentadecanoylbenzoic acid	(atypical)		5		1	CCCCCCCCCCCCCCCC1=C(C(O)=O)C(O)=CC(O)=C1
->	2-hydroxyoleic acid	(atypical)		5		1	CCCCCCCC/C=C\CCCCCCC(O)C(O)=O
->	3-phenylpropanoic acid	(atypical)		5		1	O=C(CCC1=CC=CC=C1)O
->	9-decen-1-ol	(atypical)		5		1	C=CCCCCCCCCO
->	cerebronic acid	(atypical)		5		1	CCCCCCCCCCCCCCC/C=C/[C@@H](O)C(O)=O
->	deoxyneofusapyrone aglycon	(atypical)		5		1	CCCCCCC(C/C(C)=C\C(/C=C(/C=C/C(O)C(C)(C1=CC(O)=CC(O1)=O)C)C)C)C
->	dimerumic acid	(atypical)		5		1	C/C(CCO)=C/C(N(CCC[C@@H]1NC([C@@H](NC1=O)CCCN(C(/C=C(CCO)\C)=O)O)=O)O)=O
->	epicoccamide A, B, C aglycon	(atypical)		5		1	CC1C(/C(C(N1C)=O)=C(O)\C(CCCCCCCCCCCCCCO)C)=O
->	fusapyrone aglycon	(atypical)		5		1	CCCCCCC(C/C(C)=C\C(/C=C(/C=C/C(O)C(C)(C1=CC(C=C(O)O1)=O)C)C)CO)C
->	nicotinic acid	(atypical)		5		1	O=C(O)C1=CN=CC=C1
->	nicotinic acid (N-linked)	(atypical)		5		1	O=C(O)C1=C[N+]([H])=CC=C1
->	oleandolide	(atypical)		5		1	C[C@H]2C[C@@]1(CO1)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@H]2O
->	oxalic acid	(atypical)		5		1	O=C(O)C(=O)O
->	piceol	(atypical)		5		1	CC(C1=CC=C(O)C=C1)=O
->	< untitled 2 >	(atypical)		5		1	CCCCCC[C@@H](O)C/C=C\CCCC(=O)O
->	teichoic acid (ID 12057)	(atypical)		5		0	
->	tyrosol	(atypical)		5		1	OCCC1=CC=C(O)C=C1
->	xanthohumol	(atypical)		5		1	C/C(C)=C\CC1=C(O)C(C(/C=C/C2=CC=C(C=C2)O)=O)=C(OC)C=C1O
->	(1R,7S)-1,7-dihydroxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid	(atypical)		4		1	O=C(O)/C1=C/O[C@@H](O)C2[C@@H](O)CCC12
->	(R)-6,7,8-trihydroxy-3-((1E,3E)-penta-1,3-dien-1-yl)isochroman-1-one	(atypical)		4		1	C/C=C/C=C/[C@H]1CC2=CC(O)=C(C(O)=C2C(O1)=O)O
->	(R)-6,8-dihydroxy-3-((1E,3E)-penta-1,3-dien-1-yl)isochroman-1-one	(atypical)		4		1	C/C=C/C=C/[C@H]1CC2=CC(O)=CC(O)=C2C(O1)=O
->	11-chloroarcyriaflavin A	(atypical)		4		1	O=c1[nH]c(=O)c6c1c3c2ccccc2[nH]c3c5[nH]c4c(Cl)cccc4c56
->	2'-hydroxyflavone	(atypical)		4		1	O=C1C=C(OC2=C1C=CC=C2)C3=C(O)C=CC=C3
->	2,4-dihydroxyphenol	(atypical)		4		1	OC1=CC=C(O)C(O)=C1
->	2-hydroxyoctadeca-6,10-dienoic acid	(atypical)		4		1	CCCCCCC/C=C/CC/C=C/CCCC(O)C(=O)O
->	2R-hydroxy-tetracos-17Z-enoic acid	(atypical)		4		1	O=C(O)[C@H](O)CCCCCCCCCCCCCC/C=C\CCCCCC
->	2S,17,18S,22R-tetrahydroxyhexacosanoic acid	(atypical)		4		1	CCCC[C@@H](O)CCC[C@H](O)C(O)CCCCCCCCCCCCCC[C@H](O)C(O)=O
->	2S-hydroxyadipic acid, 2S-hydroxyhexanedioic acid	(atypical)		4		2	O=C(O)CCC[C@H](O)C(=O)O ; O=C(O)CCC[C@H](O)C(=O)O
->	3',4'-dihydroxyflavone	(atypical)		4		1	O=C1C=C(OC2=C1C=CC=C2)C3=CC=C(C(O)=C3)O
->	3,6-diisopropylpyrazine-2,5-diol	(atypical)		4		1	CC(C)c1nc(O)c(C(C)C)nc1O
->	3,7-dioxo-isopimara-8(14),15-diene-19-ol	(atypical)		4		1	C[C@@](CO)(C1C2)C(CC[C@]1(C)C3CC[C@](C)(C=C)C=C3C2=O)=O
->	3,7-dioxo-isopimara-8(9),15-diene-19-ol	(atypical)		4		1	C[C@@](CO)(C1C2)C(CC[C@]1(C)C3=C(C[C@@](C=C)(CC3)C)C2=O)=O
->	3-oxo-isopimara-8(14),15-diene-7α,19-diol	(atypical)		4		1	C[C@]1(C=C)CCC2[C@@](CCC([C@]3(C)CO)=O)(C3C[C@@H](O)C2=C1)C
->	4'-hydroxyflavone	(atypical)		4		1	O=C1C=C(OC2=C1C=CC=C2)C3=CC=C(C=C3)O
->	4-(2-hydroxyethyl)-resorcinol	(atypical)		4		1	OC1=CC(O)=C(CCO)C=C1
->	4-(3-hydroxy-5-methylphenoxy)-5-methylbenzene-1,3-diol	(atypical)		4		1	OC1=CC(C)=C(OC2=CC(O)=CC(C)=C2)C(O)=C1
->	5,4'-dihydroxyflavone	(atypical)		4		1	O=C1C=C(OC2=C1C(O)=CC=C2)C3=CC=C(C=C3)O
->	6,3',4'-trihydroxyflavanone	(atypical)		4		1	O=C1CC(OC2=C1C=C(O)C=C2)C3=CC=C(C(O)=C3)O
->	6,4'-dihydroxyflavanone	(atypical)		4		1	O=C1CC(OC2=C1C=C(O)C=C2)C3=CC=C(C=C3)O
->	6,8-dihydroxy-3-methylisocoumarin	(atypical)		4		1	Cc2cc1cc(O)cc(O)c1c(=O)o2
->	acremonin A	(atypical)		4		1	C=C(C)[C@H]2Cc1c(O)ccc(O)c12
->	akanthopyrone A aglycon	(atypical)		4		1	O=c1c(CO)c(OC)cc([C@@H](O)CCCCCCCCC)o1
->	akanthopyrone B aglycon	(atypical)		4		1	O=c1c(CO)c(OC)cc([C@@H](O)CCCCCCCCCO)o1
->	akanthopyrone C aglycon	(atypical)		4		1	O=c1c(C)c(OC)cc([C@@H](O)CCCCCCCCCO)o1
->	akanthopyrone D aglycon	(atypical)		4		1	CCCCCCC[C@H](O)c(o1)cc(OC)c(CO)c1=O
->	alternariol	(atypical)		4		1	CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O
->	arcyriaflavin A	(atypical)		4		1	O=c1[nH]c(=O)c6c1c3c2ccccc2[nH]c3c5[nH]c4ccccc4c56
->	arm-biotin	(atypical)		4		1	O=C(CCCCCO)NCCCCCCNC(=O)CCCCC2SCC1NC(=O)NC12
->	branched arabinan	(atypical)		4		0	
->	burnettramic acid A aglycon	(atypical)		4		1	C[C@@H](C[C@@H](/C(O)=C1C([C@]2(C[C@@H](O)CN2C\1=O)[H])=O)C)CCCCCCC/C=C/C[C@@H](CCC[C@@H](CCCCCCCO)O)O
->	carnemycin A, B, C aglycon	(atypical)		4		1	CC/C=C/C=C/CCC1=C(C(O)=O)C(O)=CC(O)=C1
->	citral	(atypical)		4		1	C/C(CO)=C/CC/C(C)=C/C(O)=O
->	colletobredin aglycon	(atypical)		4		1	CCCCC[C@H]1CC2=C(C(O)=C(C(O)=C2CO1)C)C
->	dermocybin	(atypical)		4		1	CC1=CC2=C(C(C3=C(C(O)=C(OC)C(O)=C3O)C2=O)=O)C(O)=C1
->	diorcinol	(atypical)		4		1	CC1=CC(OC2=CC(O)=CC(C)=C2)=CC(O)=C1
->	dolichol	(atypical)		4		0	
->	flavaprenin	(atypical)		4		1	C/C(C)=C\CC1=C(O)C=C(O)C2=C1O[C@@H](CC2=O)C3=CC=C(O)C=C3
->	fusicoccin Q aglycon	(atypical)		4		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@H](CO)C1=C\[C@@]2(C)[C@@H](O)C3
->	galactomannan	(atypical)		4		0	
->	honokiol	(atypical)		4		1	C=CCC1=CC(C2=CC=C(C(CC=C)=C2)O)=C(O)C=C1
->	imperialine	(atypical)		4		1	C[C@H]1CC[C@@H]6N(C1)C[C@H]5[C@@H]4C[C@H]3[C@@H](CC(=O)[C@H]2C[C@@H](O)CC[C@@]23C)[C@@H]4CC[C@H]5[C@]6(C)O
->	malfilamentoside A aglycon	(atypical)		4		1	O=C1OC(C(CC2=CC=CC=C2)=C1C3=CC=CC=C3)O
->	malvidin-4-vinylcatechol	(atypical)		4		1	COC1=CC(C(OC2=CC(C=C3OC(C4=CC=C(O)C(O)=C4)=CC5=C32)=O)=C5O)=CC(OC)=C1O
->	naphtalene-1,6-diol	(atypical)		4		1	Oc2ccc1c(O)cccc1c2
->	naphthalene-1,8-diol	(atypical)		4		2	Oc1cccc2cccc(O)c12 ; Oc1cccc2cccc(O)c12
->	oxidized xylose deuterated derivative	(atypical)		4		1	O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO
->	protein (VSG)	(atypical)		4		0	
->	pyridin-1-ium-3-carboxamide	(atypical)		4		1	NC(=O)c1ccc[nH+]c1
->	sandaracopimara-8(14),15-diene-3β,7α,19-triol	(atypical)		4		1	C[C@@]1(CCC(C2=C1)[C@@](C)(CCC([C@@]3(CO)C)O)C3C[C@H]2O)C=C
->	< untitled 3 >	(atypical)		4		1	C[C@@H]2C/C=C/C=C/C=C/C=C/[C@H](O)C[C@@H]3O[C@](O)(C[C@@H](O)C[C@H]1O[C@H]1/C=C/C(=O)O2)C[C@H](O)[C@H]3C(=O)O
->	sporuloside aglycon	(atypical)		4		1	CC1=C(C)C(C)=C(CCC[C@@]2(CO)C)C2=C1
->	stillingic acid	(atypical)		4		1	CCCCC/C=C\C=C\C(=O)O
->	taurine	(atypical)		4		1	OS(=O)(CCN)=O
->	trichobrasilenol	(atypical)		4		1	C[C@H]1CC[C@@H]2/C(CC(C)(C)C[C@@H]21)=C(CO)\C
->	unspecified moiety	(atypical)		4		0	
->	uracil	(atypical)		4		1	O=c1cc[nH]c(=O)[nH]1
->	virescenoside M aglycon	(atypical)		4		1	C[C@]1(C=C)CCC([C@@](C[C@H]([C@H](O)[C@]2(C)CO)O)(C2CC3=O)C)=C3C1
->	virescenoside N aglycon	(atypical)		4		1	C[C@]1(C=C)CCC2[C@@](C[C@H]([C@H](O)[C@]3(C)CO)O)(C3[C@@H](C=C2C1)O)C
->	virescenoside W aglycon	(atypical)		4		1	C[C@]1(C=C)CCC2[C@@](C[C@H]([C@H](O)[C@]3(C)CO)O)(C3[C@H](C=C2C1)O)C
->	virescenoside X aglycon	(atypical)		4		1	C[C@@](CC1)(C=C)CC2=C1[C@]3(C)C(C[C@H]2O)[C@@](C)(CO)[C@@H](O)[C@H](O)C3
->	virescenoside Z11, Z15 aglycon	(atypical)		4		1	C=C[C@@]1(C)CC/C2=C(C1)/C(=O)C[C@@H]3[C@]2(C)C[C@@H](O)[C@H](O)[C@]3(C)CO
->	virescenoside Z12, Z18 aglycon	(atypical)		4		1	C=C[C@@]3(C)CC[C@H]1/C(=C\C[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]12C)C3
->	virescenoside Z13, Z17 aglycon	(atypical)		4		1	C=C[C@@]3(C)CC[C@H]1/C(=C\C[C@H]2[C@@](C)(CO)[C@@H](O)[C@H](O)C[C@]12C)C3
->	(+)-corynomycolic acid	(atypical)		3		1	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](CCCCCCCCCCCCCC)C(=O)O
->	(20L,25R)-spirost-5-ene-3β-ol	(atypical)		3		1	C[C@@H]1CC[C@@]6(OC1)OC5CC4C3C/C=C\2C[C@@H](O)CC[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C
->	(20R,25R)-spirost-5-ene-3β-ol	(atypical)		3		1	C[C@@H]1CC[C@@]6(OC1)OC5CC4C3C/C=C\2C[C@@H](O)CC[C@]2(C)C3CC[C@]4(C)C5[C@H]6C
->	(2S,3R,4E,8E)-2-amino-9-methylicosa-4,8-diene-1,3-diol	(atypical)		3		1	CCCCCCCCCCC/C(C)=C/CC/C=C/[C@@H](O)[C@@H](N)CO
->	(3R)-6,7-dihydroxy-8-methoxy-3-methylisochroman	(atypical)		3		1	COc2c(O)c(O)cc1C[C@@H](C)OCc12
->	(4E,8Z)-2-aminononadeca-4,8-diene-1,3-diol	(atypical)		3		1	CCCCCCCCCC/C=C\CC/C=C/C(O)C(N)CO
->	(4Z,8E)-2-amino-9-methylnonadeca-4,8-diene-1,3,4-triol	(atypical)		3		1	CCCCCCCCCC/C(C)=C/CC/C=C(O)/C(O)C(N)CO
->	(E)-3-(4-hydroxyphenyl)acrylic acid, trans-p-coumaric acid	(atypical)		3		1	O=C(O)/C=C/c1ccc(O)cc1
->	2,3-butanediol	(atypical)		3		1	CC(O)C(O)C
->	2-(hydroxymethyl)-6-(3-methylbut-2-en-1-yl)-3-propylphenol	(atypical)		3		1	CCCC1=C(CO)C(O)=C(C/C=C(C)\C)C=C1
->	2-hydroxy-21-methyltricosanoic acid	(atypical)		3		1	CCC(C)CCCCCCCCCCCCCCCCCCC(O)C(=O)O
->	25R-furost-5-en-3β,22α,26-triol	(atypical)		3		1	C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O[C@@]1(CC[C@@H](C)[CH2]O)O
->	3,5,7-trihydroxy-coumarin	(atypical)		3		1	O=c2oc1cc(O)cc(O)c1cc2O
->	3,7β-dihydroxy-18β-glycyrrhetinic acid	(atypical)		3		1	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H](O)[C@]5(C)[C@@H]2C(=O)/C=C\4[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]45C
->	8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid	(atypical)		3		1	OC(C1=CC=CC(OC2=C3C(O)=CC(C)=C2)=C1C3=O)=O
->	aspergillusene A	(atypical)		3		1	C/C(C1=C(O)C=C(CO)C=C1)=C\CCC(C)C
->	biotin	(atypical)		3		1	OC(CCCC[C@H]1[C@]([H])([C@]([H])(CS1)N2)NC2=O)=O
->	brassicasterol	(atypical)		3		1	C[C@]12C(C[C@@H](O)CC2)=CC[C@]3([H])[C@]1([H])CC[C@@]4(C)[C@@]3([H])CC[C@@H]4[C@@H](/C=C/[C@H](C)C(C)C)C
->	chrysin	(atypical)		3		1	O=C1C=C(OC2=C1C(O)=CC(O)=C2)C3=CC=CC=C3
->	djalonensone	(atypical)		3		1	COC1=CC(OC(C2=C3C=C(O)C=C2O)=O)=C3C(C)=C1
->	dodecan-2S-ol	(atypical)		3		1	CCCCCCCCCC[C@H](C)O
->	ent-16β-hydroxybeyeran-19-oic acid	(atypical)		3		1	CC1(C(O)=O)CCC[C@]2(C)[C@]1([H])CC[C@@]3(C[C@@]4([H])O)[C@@]2([H])CC[C@@]4(C)C3
->	erinacine B aglycon	(atypical)		3		1	CC(C)/C3=C/2[C@H]1C/C=C(C=O)\[C@@H](O)[C@H](O)[C@]1(C)CC[C@@]2(C)CC3
->	erinacine C aglycon	(atypical)		3		1	CC(C)/C3=C/2[C@H]1C/C=C(CO)\[C@@H](O)[C@H](O)[C@]1(C)CC[C@@]2(C)CC3
->	erinacine Q aglycon	(atypical)		3		1	CC(C)/C3=C/2[C@H]1C[C@@H](O)/C(CO)=C\[C@H](O)[C@]1(C)CC[C@@]2(C)CC3
->	fomitoside H, I aglycon	(atypical)		3		1	C/C(C)=C\CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)/C4=C(CC[C@]12C)/[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC4
->	fomitoside K aglycon	(atypical)		3		1	C[C@]([C@]1(C)CC2)(CC[C@@H]1[C@@H](CCC(C(C)C)=C)C(O)=O)C3=C2[C@]4(C)[C@](CC3)([H])C(C)(C)[C@H](O)CC4
->	isoxanthohumol	(atypical)		3		1	C/C(C)=C\CC1=C2C(C(CC(C3=CC=C(O)C=C3)O2)=O)=C(OC)C=C1O
->	lumichrome	(atypical)		3		1	CC1=CC(N=C2C(N3)=O)=C(C=C1C)NC2=NC3=O
->	metacrylic acid	(atypical)		3		1	C=C(C)C(=O)O
->	N-methyl-L-proline	(atypical)		3		1	CN1CCC[C@H]1C(=O)O
->	neosolaniol	(atypical)		3		1	CC1=C[C@@H]2[C@]([C@@]3(C)[C@H](OC(C)=O)[C@@H](O)[C@@H](O2)[C@@]34CO4)(COC(C)=O)C[C@@H]1O
->	pinocembrin	(atypical)		3		1	O=C1CC(OC2=C1C(O)=CC(O)=C2)C3=CC=CC=C3
->	propane-2,2-diol	(atypical)		3		1	CC(C)(O)O
->	scirpenol	(atypical)		3		1	C/C2=C/[C@H]1O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@@]1(CO)CC2)[C@@]34CO4
->	< untitled 4 >	(atypical)		3		1	CCC1/C=C(C)/C(O)C/C=C\C=C(CO)\C(=O)OC(C(C)O)C/C=C(C)/C=C(C)/C1O
->	< untitled 5 >	(atypical)		3		1	CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCC)C(=O)O
->	< untitled 6 >	(atypical)		3		1	C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)C/C=C/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O
->	< untitled 7 >	(atypical)		3		1	C[C@H]1/C=C\C=C/CC/C=C\C=C/C=C\C=C/[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@@H]1O)C[C@H](O)[C@H]2C(=O)O
->	stemphol	(atypical)		3		1	CCCCCC1=CC(O)=C(C(O)=C1)CCCC
->	tetradecan-2-ol	(atypical)		3		1	CCCCCCCCCCCCC(O)C
->	tetradecane-2,13-diol	(atypical)		3		1	CC(O)CCCCCCCCCCC(O)C
->	urdamycinone E aglycon	(atypical)		3		1	O=C1C2=C(C=C(SC)[C@@](C[C@](O)(C)C3)(O)[C@]2(O)C3=O)C(C4=C(O)C=CC=C41)=O
->	virgineone aglycon	(atypical)		3		1	CC(C(C1=C([C@@H](NC1=O)CC2=CC=C(C=C2)O)O)=O)CCCCCCCCC(CCCCCCCCC[C@H](CO)O)=O
->	α-mycolic acid	(atypical)		3		1	CCCCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)O)[C@@H](O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCC
->	(+)-taxifolin	(atypical)		2		1	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C3=CC(O)=C(C=C3)O
->	(2-hydroxyethyl)trimethylammonium	(atypical)		2		1	C[N+](C)(C)CCO
->	(2-methoxy-6-vinylphenyl)methanol	(atypical)		2		1	COC1=CC=CC(C=C)=C1CO
->	(22E)-ergosta-7,22-diene-3β,5α,6β-triol	(atypical)		2		1	[H][C@@]12CC[C@]([C@@]1(C)CC[C@@]3([H])C2=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]34C)([H])[C@H](C)/C=C/[C@H](C)C(C)C
->	(22E,24R)-5α,8α-epidioxyergosta-6,9,22-triene-3β-ol	(atypical)		2		1	O[C@H](C1)CC[C@@]2(C)[C@@]1(OO3)C=C[C@@]43C2=CC[C@@]5(C)[C@@]4([H])CC[C@]5([H])[C@@H](/C=C/[C@H](C)C(C)C)C
->	(2E,4E,6E)-8-hydroxydeca-2,4,6-trienoic acid	(atypical)		2		1	CCC(O)/C=C/C=C/C=C/C(=O)O
->	(2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoic acid	(atypical)		2		1	CCC(O)/C=C/C=C\C=C\C(=O)O
->	(2S,3R,4E)-8-hydroxy-9-methylene-4-sphingenine-C18	(atypical)		2		1	CCCCCCCCCC(C(O)CC/C=C/[C@H]([C@H](CO)N)O)=C
->	(2S,3R,4E,7E)-2-amino-9-methyloctadeca-4,7-diene-1,3,9-triol	(atypical)		2		1	CCCCCCCCCC(O)(C)/C=C/C/C=C/[C@@H](O)[C@@H](N)CO
->	(2S,3R,4E,8E)-2-amino-9-methyldocosa-4,8-diene-1,3-diol	(atypical)		2		1	CCCCCCCCCCCCC/C(C)=C/CC/C=C/[C@@H](O)[C@@H](N)CO
->	(2S,3R,4E,8E)-2-amino-9-methylpentadeca-4,8-diene-1,3-diol	(atypical)		2		1	CCCCCC/C(C)=C/CC/C=C/[C@@H](O)[C@@H](N)CO
->	(2S,3R,E)-2-amino-9-methyloctadec-4-ene-1,3,8-triol	(atypical)		2		1	CCCCCCCCCC(C)C(O)CC/C=C/[C@@H](O)[C@@H](N)CO
->	(2S,3S,4E)-8-oxo-9-methylene-4-sphingenine C18	(atypical)		2		1	O[C@H]([C@H](CO)N)/C=C/CCC(C(CCCCCCCCC)=C)=O
->	(2S,3S,4E,9E)-10-methyl-4,9-sphingadienine-C19	(atypical)		2		1	OC[C@@H]([C@H](/C=C/CCC/C=C(CCCCCCCCC)\C)O)N
->	(2S,3S,4E,9E)-2-amino-10-methyloctadeca-4,9-diene-1,3-diol	(atypical)		2		1	CCCCCCCC/C(C)=C/CCC/C=C/[C@H](O)[C@@H](N)CO
->	(2S,4E,8E)-4,8-sphingadienine-C18	(atypical)		2		1	CCCCCCCCC/C=C/CC/C=C/C(O)[C@@H](N)CO
->	(2S,4E,8Z)-4,8-sphingadienine-C18	(atypical)		2		1	CCCCCCCCC/C=C\CC/C=C/C(O)[C@@H](N)CO
->	(2S,5S,10R)-2-((S)-1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one	(atypical)		2		1	O=C1C[C@@H](C)[C@@]2(CC[C@H]([C@](C)(O)CO)C2)C(C)=C1
->	(3,6-dimethyl-2-(4-methylpent-3-en-1-yl)phenyl)methanol	(atypical)		2		1	C/C(C)=C\CCC1=C(CO)C(C)=CC=C1C
->	(3S,11E,13E)-5-acetyl-6,8-dihydroxy-3-(oxopentadienyl)isochroman-1-one	(atypical)		2		1	CC(=O)c1c(O)cc(O)c2C(=O)O[C@H](/C=C/C=C/C=O)Cc12
->	(E)-2-methyl-3-((2R,2'S,3S,3'S)-3'-methyl-[2,2'-bioxiran]-3-yl)acrylic acid	(atypical)		2		1	[H][C@@]1(C)O[C@]1([H])[C@]2([H])O[C@@]2([H])/C=C(C)/C(=O)O
->	(R)-3-hydroxy-undecanoic acid	(atypical)		2		1	CCCCCCCC[C@@H](O)CC(O)=O
->	(S)-1,1-dimethyl-2,3-dihydro-1H-indene-2,4,7-triol	(atypical)		2		1	CC2(C)c1c(O)ccc(O)c1C[C@@H]2O
->	(S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,4-dihydro-6,8-dihydroxy-5-methyl-1H-2-benzopyran-1-one	(atypical)		2		1	C/C=C/C=C/C=C/[C@@H]1CC2=C(C(O)=CC(O)=C2C(O1)=O)C
->	(S)-4-hydroxy-6-((S)-1-hydroxypentyl)-5,6-dihydro-2H-pyran-2-one	(atypical)		2		1	CCCC[C@H](O)[C@@H]1C/C(O)=C\C(=O)O1
->	(Z)-6-hydroxyaurone	(atypical)		2		1	O=C1/C(CC2=C1C(O)=CC(O)=C2O)=C/C3=CC=C(C=C3)O
->	1,2-dehydrovirgineone aglycon	(atypical)		2		1	CC(C(C1=C(C(CC2=CC=C(C=C2)O)=NC1=O)O)=O)CCCCCCCCC(CCCCCCCCC[C@H](CO)O)=O
->	1,5-deutero-2-amino-4,6-dideoxy-hexitol	(atypical)		2		1	[2H]C(O)[C@H](N)[C@@H](O)CC([2H])(C)O
->	1,8-dihydroxynaphtalene, 8-hydroxy-1-naphtol	(atypical)		2		1	Oc1cccc2cccc(O)c12
->	1-((1,3-dihydroxypropan-2-yl)oxy)propane-1,2,3-triol	(atypical)		2		1	OC(OC(CO)CO)C(O)CO
->	16-hydroxyisopimar-6,8(14)-dien-19-oic acid	(atypical)		2		1	C[C@@]12[C@](C=CC3=C[C@@](C)(CCO)CC[C@@]32[H])([H])[C@](C(O)=O)(C)CCC1
->	16-O-demethyl 3-epifusicoccin J aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@@H](CO)C1=C\[C@@]2(C)[C@@H](O)C3
->	18-hydroxylinoleic acid	(atypical)		2		1	O=C(O)CCCCCCC/C=C\C/C=C\CCCCCO
->	19-hydroxyisopimara-7,15-dien-3-one	(atypical)		2		1	C=C[C@@]3(C)CC[C@H]1/C(=C\CC2[C@@](C)(CO)C(=O)CC[C@]12C)C3
->	2',5'-dihydroxyflavanone	(atypical)		2		1	O=C1CC(OC2=C1C=CC=C2)C3=C(O)C=CC(O)=C3
->	2'-hydroxyflavanol	(atypical)		2		1	OC1=C(C=CC=C1)C2CC(O)C3=C(C=CC=C3)O2
->	2,2-dimethyl-3-oxoicosa-4E,11E,13E,18E-tetraenoic acid	(atypical)		2		1	C/C=C/CCC/C=C/C=C/CCCCC/C=C/C(=O)C(C)(C)C(=O)O
->	2,3-dihydroxy-undec-4-enoic acid	(atypical)		2		1	CCCCCC/C=C/C(O)C(O)C(=O)O
->	2,4,5-trimethylresorcinol	(atypical)		2		1	Cc1cc(O)c(C)c(O)c1C
->	2,4-dihydroxybenzophenone	(atypical)		2		1	O=C(C1=C(O)C=C(O)C=C1)C2=CC=CC=C2
->	2,5,6-trimethylresorcinol	(atypical)		2		1	Cc1cc(O)c(C)c(O)c1C
->	2,5-dimethylresorcinol	(atypical)		2		1	Cc1cc(O)c(C)c(O)c1
->	2,6-naphthalenediol	(atypical)		2		1	C1=CC2=C(C=CC(=C2)O)C=C1O
->	2-(2-hydroxyphenyl)-ethanol	(atypical)		2		1	OC1=CC=CC=C1CCO
->	2-(2-hydroxyphenyl)acetic acid	(atypical)		2		1	O=C(O)Cc1ccccc1O
->	2-amino-3-hydroxycyclopent-2-enon	(atypical)		2		1	N/C1=C(O)/CCC1=O
->	2-amino-6-methyldec-6-en-1-ol	(atypical)		2		1	CCC/C=C(C)/CCC[C@@H](N)CO
->	2-chloroadenine	(atypical)		2		1	Nc1nc(Cl)nc2[nH]cnc12
->	2-deoxystreptamine	(atypical)		2		2	N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1O ; N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](N)C1
->	2-octyl-4,6-dihydroxybenzoic acid	(atypical)		2		1	OC1=CC(O)=CC(CCCCCCCC)=C1C(O)=O
->	2-phenyl-4-hydroxy-6-methylchromane	(atypical)		2		1	CC1=CC2=C(OC(C3=CC=CC=C3)CC2O)C=C1
->	22-dihydroergosterol	(atypical)		2		1	CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
->	2E,4E-decadienoic acid	(atypical)		2		1	CCCCC/C=C/C=C/C(=O)O
->	2R,3-dihydroxy-tetracos-17Z-enoic acid	(atypical)		2		1	O=C(O)[C@H](O)C(O)CCCCCCCCCCCCC/C=C\CCCCCC
->	2S,16R,17S,21R-tetrahydroxyhexacosanoic acid	(atypical)		2		1	CCCCC[C@@H](O)CCC[C@H](O)[C@H](O)CCCCCCCCCCCCC[C@H](O)C(O)=O
->	2S-hydroxysuberic acid, 2S-hydroxyoctanedioic acid	(atypical)		2		1	O=C(O)CCCCC[C@H](O)C(=O)O
->	3'-hydroxyflavanol	(atypical)		2		1	OC1=CC(C2CC(C3=C(O2)C=CC=C3)O)=CC=C1
->	3,15,16-trihydroxyhexadecanoic acid	(atypical)		2		1	O=C(O)CC(O)CCCCCCCCCCCC(O)CO
->	3,15α-dihydroxy-18β-glycyrrhetinic acid	(atypical)		2		1	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]5(C)[C@@H]2C(=O)/C=C\4[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)C[C@H](O)[C@]45C
->	3,4-dehydro-6-hydroxymellein	(atypical)		2		1	Cc2cc1cc(O)cc(O)c1c(=O)o2
->	3,4-dihydroxybenzaldehyde	(atypical)		2		1	O=Cc1ccc(O)c(O)c1
->	3,5,7-trihydroxychromone	(atypical)		2		1	OC1=CC(O)=C2C(OC=C(O)C2=O)=C1
->	3,5-dichlorobenzene-1,2-diol	(atypical)		2		1	OC1=CC(Cl)=CC(Cl)=C1O
->	3,5-dihydroxy-2-methyldecanoic acid (desmamide C)	(atypical)		2		1	CCCCCC(O)CC(O)C(C)C(O)=O
->	3,7,11,15-tetrahydroxy-2,4,6,8,10,12,14,16,18,20-decamethyldocosa-4E,8E,12E-trienoic acid	(atypical)		2		1	CCC(C)CC(C)CC(C)C(O)C(C)/C=C(C)/C(O)C(C)/C=C(C)/C(O)C(C)/C=C(C)/C(C(C)C(O)=O)O
->	3-aminobutyric acid	(atypical)		2		1	CC(N)CC(O)=O
->	3-hydroxy-26-oxo-kijanolide	(atypical)		2		1	C/C2=C/C[C@H](O)/C(C)=C\[C@H]1\C=C(CO)/[C@H](C)CC15OC(=O)/C(=C(O)\[C@]4(C)[C@H]2/C=C\[C@@H]3[C@@H](O)[C@@H](C)C[C@H](C)[C@H]34)C5=O
->	3-methoxy-8-methylnaphthalene-1,2-diol	(atypical)		2		1	CC1=CC=CC2=C1C(O)=C(O)C(OC)=C2
->	4',5'-dihydro-4'-hydroxyascochlorin	(atypical)		2		1	C[C@@H]1CCC([C@H](C)[C@]1(C[C@@H](O)/C(C)=C/CC2=C(O)C(C=O)=C(C)C(Cl)=C2O)C)=O
->	4'-hydroxy-6-methylflavanone	(atypical)		2		1	CC1=CC2=C(C=C1)OC(CC2=O)C3=CC=C(C=C3)O
->	4'-hydroxyflavanone	(atypical)		2		1	O=C1CC(OC2=C1C=CC=C2)C3=CC=C(C=C3)O
->	4-(2-methylbut-3-en-2-yl)benzene-1,3-diol	(atypical)		2		1	CC(C=C)(C)C1=CC=C(O)C=C1O
->	4-(hydroxymethyl)-2,5,6-trimethylbenzene-1,3-diol	(atypical)		2		1	CC1=C(O)C(CO)=C(C)C(C)=C1O
->	4-hydroxy-15′-carboxylfarnesyltoluquinol	(atypical)		2		1	C/C(CC/C=C(C)/CC/C=C(C)\C(O)=O)=C\CC1=CC(O)=C(C)C=C1O
->	4-hydroxybenzyl alcohol, 4-hydroxymethylphenol	(atypical)		2		1	OC1=CC=C(CO)C=C1
->	5,6,8-trihydroxy-3-methylisocoumarin	(atypical)		2		1	CC1=CC2=C(C(O1)=O)C(O)=CC(O)=C2O
->	5-hydroxy-2-decenoic acid	(atypical)		2		1	CCCCCC(O)C/C=C/C(=O)O
->	5α,8α-epidioxy-24(R)-methylcholesta-6,22-dien	(atypical)		2		1	CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]3[C@]1(C)CC[C@@H]4[C@@]2(C)CC[C@H](O)C[C@]25CC[C@]34OO5
->	6,3',4'-trihydroxyflavone	(atypical)		2		1	O=C1C=C(OC2=C1C=C(O)C=C2)C3=CC=C(C(O)=C3)O
->	6,3'-dihydroxyflavanone	(atypical)		2		1	O=C1CC(OC2=C1C=C(O)C=C2)C3=CC=CC(O)=C3
->	6,3'-dihydroxyflavone	(atypical)		2		1	O=C1C=C(OC2=C1C=C(O)C=C2)C3=CC=CC(O)=C3
->	6,4'-dihydroxyflavone	(atypical)		2		1	O=C1C=C(OC2=C1C=C(O)C=C2)C3=CC=C(C=C3)O
->	6,8-dihydroxy-3-(hydroxymethyl)isochromen-1-one	(atypical)		2		1	O=c1oc(CO)cc2cc(O)cc(O)c12
->	6-hydroxyflavanone	(atypical)		2		1	O=C1CC(OC2=C1C=C(O)C=C2)C3=CC=CC=C3
->	7-hydroxy-4-methylcoumarin	(atypical)		2		1	Cc1cc(=O)oc2cc(O)ccc12
->	7-hydroxy-5-methoxy-4,6-dimethylphthalide	(atypical)		2		1	COc2c(C)c(O)c1C(=O)OCc1c2C
->	7-hydroxy-8,14-dimethylhexadeca-2E,4E,8E,10E-tetraenoic acid	(atypical)		2		1	CCC(C)CC/C=C/C=C(C)/C(O)C/C=C/C=C/C(=O)O
->	7-methylocta-2Z,4E-dienoic acid	(atypical)		2		1	CC(C)C/C=C/C=C\C(=O)O
->	9-dehydroxyeurotinone	(atypical)		2		1	O=C1C2=C(CC(C=C(C=C3O)O)=C3O1)C=C(C)C=C2O
->	a-pyrrolidinose form of Pse5Ac7NR3HOBut	(atypical)		2		1	N[C@](O)([C@H](O)[C@@H]1[C@@H](O)CC(O)(C(O)=O)N1)C
->	acrylic acid	(atypical)		2		1	C=CC(=O)O
->	Am,1-cyclo-D-ManaN3NAmA	(atypical)		2		1	O[C@@H]1C(NC(C)=O)[C@H]([C@H](O)[C@@H](C(O)=O)O)N[C@H](N1)C
->	aquayamycin-type angucycline	(atypical)		2		1	O=C1C2(O)C(CCC(CC(O)(C)C3)(O)C2(O)C3=O)(O)C(C4=C1C=CC=C4O)=O
->	baicalein	(atypical)		2		1	O=C1C=C(C2=CC=CC=C2)OC3=C1C(O)=C(O)C(O)=C3
->	burnettramic acid C aglycon	(atypical)		2		1	C[C@@H](C[C@@H](/C(O)=C1C([C@]2(CCCN2C\1=O)[H])=O)C)CCCCCCC/C=C/C[C@@H](CCC[C@@H](CCCCCCCO)O)O
->	burnettramic acid D aglycon	(atypical)		2		1	C[C@@H](C[C@@H](/C(O)=C1C([C@]2(C[C@@H](O)CN2C\1=O)[H])=O)C)CCCCC/C=C/C=C/C[C@@H](CCC[C@@H](CCCCCCCO)O)O
->	burnettramic acid E aglycon	(atypical)		2		1	C[C@@H](C[C@@H](/C(O)=C1C([C@]2(C[C@@H](O)CN2C\1=O)[H])=O)C)CCCCCCCCCC[C@@H](CCC[C@@H](CCCCCCCO)O)O
->	C/C({11}CO)=C/1CC(C)(C)C[C@@H]2[C@H](C)CC[C@@H]12	(atypical)		2		0	
->	carnemycin H aglycon	(atypical)		2		1	OC1=CC(O)=C(C(O)=O)C(CC/C=C/C=C/CCC)=C1
->	caryan (ID 12525)	(atypical)		2		0	
->	chrysopanol	(atypical)		2		1	O=C1C2=C(C=C(C)C=C2O)C(C3=C1C(O)=CC=C3)=O
->	cichorigenin	(atypical)		2		1	OC(C=C(OC1=O)C(C=C1)=C2)=C2O
->	cladosporin	(atypical)		2		1	C[C@H]1CCC[C@@H](O1)C[C@H]2CC3=C(C(O2)=O)C(O)=CC(O)=C3
->	colletotrichamide A aglycon	(atypical)		2		1	CC[C@@H](C1C(O[C@@H](C[C@H]([C@H](C(N[C@@H](C(N1C)=O)CC2=CC=CC=C2)=O)C)O)[C@H](CCCC[C@H](O)C)C)=O)C
->	colletotrichamide B aglycon	(atypical)		2		1	CCC(C1C(OC(CC(C(C(NC(C(N1C)=O)CC2=CC=CC=C2)=O)C)O)C(C/C=C/C[C@H](O)C)C)=O)C
->	colletotrichamide C aglycon	(atypical)		2		1	CCC(C1C(OC(CC(CC(NC(C(N1C)=O)CC2=CC=CC=C2)=O)O)C(CCCC[C@H](O)C)C)=O)C
->	colletotrichamide D aglycon	(atypical)		2		1	CC(C[C@H]1C(O[C@@H](C[C@H](C(C(N[C@@H](C(N1C)=O)CC2=CC=CC=C2)=O)C)O)C(CCCC[C@H](O)C)C)=O)C
->	colletotrichamide E aglycon	(atypical)		2		1	C[C@@H](O)CCCCC(C)[C@@H]1CC(O)C(C)C(NC(CC2=CC=CC=C2)C(N(C)[C@@H](C(C)C)C(O1)=O)=O)=O
->	cotylenol epimer	(atypical)		2		1	COC[C@]1(O)CC[C@H]2/C1=C\[C@@]3(C)CCC(C(C)C)=C3[C@@H](O)[C@H](O)[C@@H]2C
->	curcumin	(atypical)		2		1	COC1=CC(/C=C/C(CC(/C=C/C2=CC=C(C(OC)=C2)O)=O)=O)=CC=C1O
->	C[C@]3(C{16}CO)CC[C@H]1/C(=C\C[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C)C3	(atypical)		2		0	
->	deca-4,6,8-triyne-1-ol	(atypical)		2		1	CC#CC#CC#CCCCO
->	desmethylasporyergosterol	(atypical)		2		1	C/C(/C=C/C(C)C(C)C)=C/4[C@H](O)C/C3=C/2\C=C/[C@H]1C[C@@H](O)CC[C@]1(C)[C@H]2CC[C@@]34C
->	desmethylasporyergosteron	(atypical)		2		1	C/C(/C=C/C(C)C(C)C)=C/4[C@H](O)C/C3=C/2\C=C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC[C@@]34C
->	di(2-hydroxyethyl)amine	(atypical)		2		1	OCCNCCO
->	dongtingnoid A aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@](O)(CO)C1=C\[C@@]2(C)CC3
->	dongtingnoid B aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@@](O)(CO)C1=C\[C@@]2(C)CC3
->	dongtingnoid C aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)/C1=C(C(=O)CC1)\[C@H](O)[C@@]2(C)CC3
->	dongtingnoid D aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]1CC/C(CO)=C1/[C@H](O)[C@@]2(C)CC3
->	dongtingnoid E aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1C/C=C(CO)\C1=C\[C@@]2(C)CC3
->	enfumafungin aglycon	(atypical)		2		1	CC(C)[C@@H](C)[C@@]5(C)CC[C@]4(C)[C@H]/3CC[C@H]1[C@@]2(C)COC(O)[C@@]1(C[C@@H](O)[C@@H]2O)C3=C\C[C@@]4(C)[C@@H]5C(=O)O
->	epifusicoccin H aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@@H](CO)C1=C\[C@@]2(C)CC3
->	erinacine D aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@H]1C[C@H](O)/C(C=O)=C\[C@H](O)[C@]1(C)CC[C@@]2(C)CC3
->	erinacine H aglycon	(atypical)		2		1	CC(C)/C3=C/2\C1=C\C=C(C(=O)O)/C[C@H](O)[C@]1(C)CC[C@@]2(C)CC3
->	erinacine K aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@H]1CC(O)/C(CO)=C\[C@H](O)[C@]1(C)CC[C@@]2(C)CC3
->	eurobenzophenone C	(atypical)		2		1	OC1=CC(C)=CC(O)=C1C(C2=C(O)C=C(O)C=C2C(O)=O)=O
->	fisetin	(atypical)		2		1	O=C1C(O)=C(OC2=C1C=CC(O)=C2)C3=CC=C(C(O)=C3)O
->	fomitoside E aglycon	(atypical)		2		1	C[C@]([C@]1(C)CC2)(CC[C@@H]1[C@@H](C/C=C/C(C)(O)C)C(O)=O)C3=C2[C@]4(C)[C@](CC3)([H])C(C)(C)[C@H](OC(C)=O)CC4
->	formononetin	(atypical)		2		1	O=C1C(C2=CC=C(OC)C=C2)=COC3=C1C=CC(O)=C3
->	fridamycin E	(atypical)		2		1	O=C1C2=C(C=CC(C[C@@](C)(O)CC(O)=O)=C2O)C(C3=C1C=CC=C3O)=O
->	fusicoccin F aglycon O{18}C[C@]1(CC[C@]2([H])/C1=C\[C@]3({12}[C@@H](O)CC([C@]({16}CO)([H])C)=C3{9}[C@H]({8}[C@@H]([C@@H]2C)O)O)C)[H]	(atypical)		2		0	
->	fusicoccin H aglycon	(atypical)		2		1	CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@H](CO)C1=C\[C@@]2(C)CC3
->	fusicoccin S aglycon	(atypical)		2		1	CC(C1=C2[C@H]([C@@H]([C@@H]([C@@H]3CC[C@@](/C3=C/[C@]2([C@H](C1)O)C)(O)CO)C)O)O)C
->	geraniol	(atypical)		2		1	C/C(C)=C\CC/C(C)=C/CO
->	gliocladinin C aglycon	(atypical)		2		1	OC1=CC=C(C2=CC(O)=C(C(O)=C2O)C3=CC=C(O)C=C3)C=C1
->	glucan moiety	(atypical)		2		0	
->	gotjawaside aglycon	(atypical)		2		1	O=C1O[C@H](C([C@@H](C2=CC=CC=C2)O)=C1C3=CC=CC=C3)O
->	H or O-methylphosphamide	(atypical)		2		1	OP(OC)(N)=O
->	halorosellin B aglycon	(atypical)		2		1	O=C3O/C(=C)C(c2c3c(O)cc(O)c2C)C
->	hydroquinone TIIA	(atypical)		2		1	CC1=COC2=C1C(O)=C(O)C3=C2C=CC4=C3CCCC4(C)C
->	hypoxyloside G aglycon	(atypical)		2		1	C[C@]1(C(O)=O)CCC[C@@]2(C)[C@H]1CC=C3[C@@H]2CC[C@](C)([C@H](O)CO)C3
->	indigotide A aglycon	(atypical)		2		1	C/C=C/C=C/C1=CC2=C(CO1)C(O)=C(O)C(O)=C2
->	indigotide G, H aglycon	(atypical)		2		1	C[C@H]1OC2=CC3=C(C(O)=C2C([C@@H]1C)=O)C(O)=CC(O)=C3
->	inner core	(atypical)		2		0	
->	isobutanol	(atypical)		2		1	CC(C)CO
->	isorhamnetin	(atypical)		2		1	OC1=C(C2=CC=C(O)C(OC)=C2)OC3=C(C(O)=CC(O)=C3)C1=O
->	L-erythronic acid 1,4-lactone	(atypical)		2		1	O=C1OC[C@@H]([C@@H]1O)O
->	L-threonic acid 1,4-lactone	(atypical)		2		1	O=C1OC[C@@H]([C@H]1O)O
->	macrosporin	(atypical)		2		1	CC1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC
->	magnolol	(atypical)		2		1	C=CCC1=CC=C(C(C2=C(O)C=CC(CC=C)=C2)=C1)O
->	malvidin	(atypical)		2		1	OC1=C(C2=CC(OC)=C(O)C(OC)=C2)[O+]=C3C=C(O)C=C(O)C3=C1
->	mericeramide A aglycon	(atypical)		2		1	OC[C@H](N)[C@H](O)/C=C/CCC(O)C(C)(O)CCCCCCCC
->	mericeramide B aglycon	(atypical)		2		1	OC[C@H](N)[C@H](O)/C=C/CCC(Cl)C(C)(O)CCCCCCCC
->	morusin	(atypical)		2		1	C/C(C)=C\CC1=C(OC2=C(C1=O)C(O)=CC3=C2C=CC(C)(O3)C)C4=C(O)C=C(O)C=C4
->	mutilin	(atypical)		2		1	C=C[C@@]1(C)[C@@H](O)[C@H](C)[C@]23[C@]([C@]([C@H](O)C1)([C@H](C)CC2)C)(C(CC3)=O)[H]
->	myrothecoside aglycon	(atypical)		2		1	[H][C@]12/C=C\[C@@H](C)[C@@H](/C=C/[C@H](O)C[C@@H](O)CC(N)=O)[C@@]1([H])[C@@H](C)C[C@H](C)C2
->	N-(2-hydroxybenzyl)acetamide	(atypical)		2		1	CC(=O)NCc1ccccc1O
->	N-(2-hydroxyphenyl)-2-hydroxyacetamide	(atypical)		2		1	O=C(CO)Nc1ccccc1O
->	N-(2-hydroxyphenyl)acetamide	(atypical)		2		1	CC(=O)Nc1ccccc1O
->	N-(3,4-dihydroxyphenyl)acetamide	(atypical)		2		1	CC(=O)Nc1ccc(O)c(O)c1
->	neoruscogenin	(atypical)		2		1	[H][C@]1(O[C@](OCC2=C)(CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C[C@@H](O)C[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H]
->	norlichexanthone	(atypical)		2		1	CC1=CC(O)=CC(OC2=C3C(O)=CC(O)=C2)=C1C3=O
->	O-antigen (ID 11140)	(atypical)		2		0	
->	O-antigen (ID 11143)	(atypical)		2		0	
->	O-antigen (ID 11269)	(atypical)		2		0	
->	O-antigen (ID 11901)	(atypical)		2		0	
->	O-antigen (ID 12090)	(atypical)		2		0	
->	O-antigen (ID 12092)	(atypical)		2		0	
->	O-antigen (ID 30648)	(atypical)		2		0	
->	O-antigen ID 11706	(atypical)		2		0	
->	O-antigen ID 11708, 11710	(atypical)		2		0	
->	octadec-9E-ene-1,18-diol	(atypical)		2		1	OCCCCCCCC/C=C/CCCCCCCCO
->	octadecane-1,2-diol	(atypical)		2		1	CCCCCCCCCCCCCCCCC(O)CO
->	orthosporin	(atypical)		2		1	C[C@@H](CC1=CC2=C(C(O1)=O)C(O)=CC(O)=C2)O
->	peptide	(atypical)		2		0	
->	phenylethanol	(atypical)		2		1	OCCC1=CC=CC=C1
->	phialotide E aglycon	(atypical)		2		1	OC(C(CC)C)C(C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/[C@@H](O)[C@@H](C)/C=C(C)/C(O)C(C(O)=O)C
->	questin	(atypical)		2		1	COC1=CC(O)=CC(C(C2=C3C(O)=CC(C)=C2)=O)=C1C3=O
->	resorcinoside A aglycon	(atypical)		2		1	CC[C@@H]([C@@H](CCCCCCC/C=C/C=C/CCC1=CC(O)=CC(O)=C1)O)C
->	rubrofusarin	(atypical)		2		1	COc3cc(O)c2c(O)c1c(=O)cc(C)oc1cc2c3
->	Saccharomyces glycoprotein	(atypical)		2		0	
->	scyllo-quercitol (1-deoxy-scyllo-inositol)	(atypical)		2		1	O[C@H]1[C@H](O)[C@@H](O)C[C@@H](O)[C@@H]1O
->	< untitled 8 >	(atypical)		2		1	C/C(CCO)=C/C(N(O)CCC[C@@H]1NC([C@H](CCCN(O)C(C[C@](C)(O)CCO)=O)NC1=O)=O)=O
->	< untitled 9 >	(atypical)		2		1	CC1(C)OC(=O)[C@]23CC[C@H]1[C@@H]2CC[C@]6(C)[C@@H]3CC[C@@H]5[C@@]4(C)CC[C@H](O)[C@@](C)(C)[C@@H]4CC[C@]56C
->	< untitled 10 >	(atypical)		2		1	CCC(CC(/C=C([C@H]([C@H](/C=C([C@H]([C@H](/C=C([C@H]([C@H](/C=C(C(O)=O)\C)C)O)\C)C)O)\C)C)O)\C)C)C
->	< untitled 11 >	(atypical)		2		1	CN[C@H]6C(=O)N[C@@H]4Cc1ccc(cc1)Oc%11cc3cc(Oc2ccc(cc2Cl)C(O)C%10NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@@H](NC4=O)c5cc(cc(O)c5Cl)Oc7cc6ccc7O)c8cccc(c8)c9c(O)cc(O)cc9[C@@H](C(=O)O)NC%10=O)c%11O
->	< untitled 12 >	(atypical)		2		1	OC1=CC=C(O)C(OC)=C1
->	< untitled 13 >	(atypical)		2		1	OC(CO)C1OC(CO)CO1
->	solasodine	(atypical)		2		1	[H][C@]1(O[C@@]2(NC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H]
->	sordarin C aglycon	(atypical)		2		1	C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3(CO)[C@H]4C[C@@](C=O)2[C@]([C@](O)=O)3C(C(CO)C)=C4
->	sordarin E aglycon	(atypical)		2		1	C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3(CO)[C@H]4C[C@@](C=O)2[C@]([C@](O)=O)3C5(C(C)C5)C4=O
->	sporormielloside aglycon	(atypical)		2		1	COC1=C(O)C2=C(C(C3=C(O2)C=C(C)C=C3O)=O)C(O)=C1
->	sporulositol A aglycon	(atypical)		2		1	C/C2=C(CO)/[C@@]1(C)CCCC(C)(C)[C@@H]1CC2
->	sporulositol B aglycon	(atypical)		2		1	C/C2=C(CO)/[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2
->	sporulositol C aglycon	(atypical)		2		1	C/C2=C(CO)/[C@@]1(C)CCC[C@](C)(CO)[C@@H]1CC2
->	sporulositol D aglycon	(atypical)		2		1	C/C2=C(CO)/[C@@]1(C)CCC[C@](C)(CO)[C@@H]1C[C@H]2O
->	stigmasterol	(atypical)		2		1	CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
->	teichulosonic acid (ID 11779)	(atypical)		2		0	
->	unidentified 12-hydroxytridecenoic acid	(atypical)		2		0	
->	urdamycinone B aglycon	(atypical)		2		1	O=C1C2=C(C=CC(C[C@](C3)(O)C)C2C3=O)C(C4=C(O)C=CC=C41)=O
->	vibo-quercitol (1-deoxy-myo-inositol)	(atypical)		2		1	O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C1
->	virescenoside R1 aglycon	(atypical)		2		1	C[C@]1(C=C)CC[C@H]2C(C=C[C@@H]3[C@]2(C)C[C@@H](O)[C@H](O)[C@@]3(CO)C)=C1
->	virescenoside R3 aglycon	(atypical)		2		1	C[C@]1(C=C)CC[C@@]2(C)C(C1)=CC[C@@H]3[C@]2(C)C[C@@H](O)[C@H](O)[C@@]3(CO)C
->	virescenoside R4 aglycon	(atypical)		2		0	
->	virescenoside Z10 aglycon	(atypical)		2		1	C=C[C@@]1(C)CC/C2=C(C1)/C(=O)C[C@@H]3[C@]2(C)CC[C@H](O)[C@]3(C)CO
->	virescenoside Z16 aglycon	(atypical)		2		1	C=C[C@@]3(C)CC[C@H]1/C(=C\C[C@H]2[C@@](C)(CO)C(=O)CC[C@]12C)C3
->	virescenoside Z5 aglycon	(atypical)		2		1	C[C@@]1(C(CC=C2C1CC[C@@]([C@@H](O)CCl)(C)C2)[C@@]3(C)CO)CCC3=O
->	virescenoside Z6 aglycon	(atypical)		2		1	C[C@]12CC[C@H](O)[C@@](CO)(C)C1C[C@@H](O)C3=C[C@](C=C)(C)CCC32
->	virescenoside Z7 aglycon	(atypical)		2		1	C[C@]12C[C@@H](O)[C@H](O)[C@@](CO)(C)C1C(C=C3C2CC[C@@]([C@@H](O)CCl)(C)C3)O
->	virescenoside Z8 aglycon	(atypical)		2		1	C[C@]12C[C@@H](O)[C@H](O)[C@@](CO)(C)C1C(O)=CC3=C[C@](C=C)(C)CCC32
->	virescenoside Z9 aglycon	(atypical)		2		1	C=C[C@@]3(C)CC[C@@H]2[C@@]1(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]1[C@@H](O)C(=O)[C@@]2(O)C3
->	xylapapuside B aglycon	(atypical)		2		1	[H][C@]/12CC[C@](C)(CCO)CC1=C\C[C@@]3(C)[C@@](C)(O)CCC[C@]23C
->	(+)-abscisic acid	(atypical)		1		1	CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C
->	(10E,12Z)-carnemycin B aglycon	(atypical)		1		1	CCC/C=C\C=C\CCC1=C(C(O)=O)C(O)=CC(O)=C1
->	(10Z,12E)-carnemycin B aglycon	(atypical)		1		1	CCC/C=C/C=C\CCC1=C(C(O)=O)C(O)=CC(O)=C1
->	(1S,3S)-1,3,5,8-tetrahydroxy-6-methoxy-3-methyl-1,2,3,4,4a,9a-hexahydroanthracene-9,10-dione	(atypical)		1		1	O[C@@H]1C(C(C2=C(C(O)=C(OC)C=C2O)C3=O)=O)C3C[C@](C)(O)C1
->	(1S,3S)-1,3,8-trihydroxy-6-methoxy-3-methyl-1,2,3,4,4a,9a-hexahydroanthracene-9,10-dione	(atypical)		1		1	O[C@@H]1C(C(C2=C(C=C(OC)C=C2O)C3=O)=O)C3C[C@](C)(O)C1
->	(20S,25R)-furosta-5,22-diene-3β,21α,26-triol	(atypical)		1		1	C[C@@H](CO)C/C=C/5OC4CC3C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2CC[C@]3(C)C4[C@]5(C)O
->	(2R,3E)-2-hydroxy-3-decenoic acid	(atypical)		1		1	CCCCCC/C=C/[C@@H](O)C(O)=O
->	(2R,3R,4Z,8E)-2-amino-9-methyloctadeca-4,8-diene-1,3,4-triol	(atypical)		1		1	CCCCCCCCC/C(C)=C/CC/C=C(O)/[C@H](O)[C@H](N)CO
->	(2R,4R)-2,4-dihydroxypentanoic acid 1,4-lactone	(atypical)		1		1	C[C@H](C[C@H]1O)OC1=O
->	(2S) or (2R) O-methylphosphamide	(atypical)		1		1	OP(OC)(N)=O
->	(2S)-2,3-dihydroxy-3,3-diphenylpropanoic acid	(atypical)		1		1	O=C(O)[C@@H](O)C(C1=CC=CC=C1)(O)C2=CC=CC=C2
->	(2S,3R,4E,8E)-2-amino-9-methylheptadeca-4,8-diene-1,3-diol	(atypical)		1		1	CCCCCCCC/C(C)=C/CC/C=C/[C@@H](O)[C@@H](N)CO
->	(2S,3R,4E,8E,10E)-9-methyl-4,8,10-sphingatrienine-C18	(atypical)		1		1	O[C@@H]([C@H](CO)N)/C=C/CC/C=C(C)/C=C/CCCCCCC
->	(2S,3R,4E,8E,10E)-9-methyl-4,8,10-sphingatrienine-C22	(atypical)		1		1	OC[C@@H]([C@@H](/C=C/CC/C=C(/C=C/CCCCCCCCCCC)C)O)N
->	(2S,3R,4E,8Z,10E)-2-amino-9-methyloctadeca-4,8,10-triene-1,3-diol	(atypical)		1		1	CCCCCCC/C=C/C(C)=C\CC/C=C/[C@@H](O)[C@@H](N)CO
->	(2S,3S)-3-hydroxy-1,3-dimethyl-5-oxopyrrolidine-2-carboxamide	(atypical)		1		1	O=C([C@H]([C@@](C)(O)C1)N(C)C1=O)N
->	(2S,3S,4E,8E)-9-methyl-4,8-sphingadienine-C19	(atypical)		1		1	C/C(CCCCCCCCCC)=C\CC/C=C/[C@H](O)[C@@H](N)CO
->	(2S,3S,4E,8E,10E)-9-methyl-4,8,10-sphingatrienine-C19	(atypical)		1		1	CC(/C=C/CCCCCCCC)=C\CC/C=C/[C@H](O)[C@@H](N)CO
->	(2S,4E,8E)-9-methyl-4,8-sphingadienine-C18	(atypical)		1		1	CCCCCCCCC/C(C)=C/CC/C=C/C(O)[C@@H](N)CO
->	(2S,4R)-2,4-dihydroxypentanoic acid 1,4-lactone	(atypical)		1		1	O=C1O[C@H](C)C[C@@H]1O
->	(2S,4S)-N-(1-carboxyethyl)alanine	(atypical)		1		1	C[C@H](N[C@H](C(O)=O)C)C(O)=O
->	(2S,5S,10R)-2-((R)-1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one	(atypical)		1		1	O=C1C[C@@H](C)[C@@]2(CC[C@H]([C@@](C)(O)CO)C2)C(C)=C1
->	(2S,7E)-7-sphingenine-C16	(atypical)		1		1	OC([C@H](CO)N)CCC/C=C/CCCCCCCC
->	(2Z,3Z,5E,7E,9E,11E,13E)-14-(4-hydroxy-2-oxo-2H-pyran-6-yl)-2-(4,6-dimethyloctylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid	(atypical)		1		1	CCC(C)CC(C)CC/C=C(C(O)=O)/C=C(\C=C\C=C\C=C\C=C\C=C\C(O1)=CC(O)=CC1=O)C
->	(4E,8E)-2-amino-9-methyloctadeca-4,8-diene-1,3,6-triol	(atypical)		1		1	CCCCCCCCC/C(C)=C/CC(O)/C=C/C(O)C(N)CO
->	(8R,9R,10S,13R,14S,16R,17R)-17-((R,E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one	(atypical)		1		1	[H][C@@]4(O)C[C@@]3(C)[C@]2([H])C/C=C\1C(C)(C)C(=O)/C(O)=C\[C@@]1([H])[C@]2(C)CC[C@]3(C)[C@@]4([H])[C@@](C)(O)C(=O)/C=C/C(C)(C)O
->	(8S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one	(atypical)		1		1	O=C1CC[C@@]2(C)C(CC[C@@]3(C)C2[C@@H](O)CC4=C([C@H](C)C[C@H](O)[C@@H](O)C(O)(C)C)CC[C@]34C)C1(C)C
->	(E)-2-ethylbut-2-enoic acid	(atypical)		1		1	C/C=C(CC)/C(=O)O
->	(E,E)-farnesol	(atypical)		1		1	C/C(C)=C\CC/C(C)=C/CC/C(C)=C/CO
->	(R)-6,8-dihydroxy-3-(((2R,6S)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-3,4-dihydronaphthalen-1(2H)-one	(atypical)		1		1	C[C@H]1CCC[C@H](C[C@@H]2CC(C3=C(O)C=C(O)C=C3C2)=O)O1
->	(R,Z)-5-(N,5-dihydroxy-3-methylpent-2-enamido)-2-(dimethylamino)pentanoic acid	(atypical)		1		1	C/C(CCO)=C/C(N(CCC[C@@H](N(C)C)C(O)=O)O)=O
->	(S)-3-hydroxyundecanoic acid	(atypical)		1		1	CCCCCCCC[C@H](O)CC(O)=O
->	(S)-torosachrysone	(atypical)		1		1	COc1cc(O)c2c(O)c3c(cc2c1)C[C@@](C)(O)CC3=O
->	(Z)-4,6-dihydroxy-7-methoxy-2-(4-methoxybenzylidene)benzofuran-3(2H)-one	(atypical)		1		1	COC1=CC=C(C=C1)/C=C(O2)/C(C3=C2C(OC)=C(O)C=C3O)=O
->	-3,4)aDGlcp(1- moiety	(atypical)		1		0	
->	1,11-dichloroarcyriaflavin A	(atypical)		1		1	O=c1[nH]c(=O)c6c1c3c2cccc(Cl)c2[nH]c3c5[nH]c4c(Cl)cccc4c56
->	1,2,5-trihydroxy-6-hydroxymethylanthraquinone	(atypical)		1		1	O=C(C1=C2C(O)=C(O)C=C1)C3=C(O)C(CO)=CC=C3C2=O
->	1,4,5-trihydroxy-2-methoxyanthracene-9,10-dione	(atypical)		1		1	O=C1C2=C(C(O)=C(OC)C=C2O)C(C3=C1C(O)=CC=C3)=O
->	1,4-dihydroxy-2-methoxyanthracene-9,10-dione	(atypical)		1		1	O=C1C2=C(C(O)=C(OC)C=C2O)C(C3=C1C=CC=C3)=O
->	1,5-deutero-2-amino-4,6-dideoxy-xylohexol	(atypical)		1		1	[2H]C([C@@H]([C@H](C[C@@](C)(O)[2H])O)N)O
->	1,6-dihydroxyhexane-2,5-dione	(atypical)		1		1	OCC(CCC(CO)=O)=O
->	1-hydroxy-3-methoxyanthracene-9,10-dione	(atypical)		1		1	O=C1C2=C(C=C(OC)C=C2O)C(C3=C1C=CC=C3)=O
->	1-hydroxyversicolorin B	(atypical)		1		1	OC1=C(C(C2=C(C=C(O)C=C2O)C3=O)=O)C3=CC(O4)=C1[C@H]5[C@@H]4OC[C@H]5O
->	1-tetradecanol	(atypical)		1		1	CCCCCCCCCCCCCCO
->	10-hydroxyundecanoic acid	(atypical)		1		1	CC(O)CCCCCCCCC(O)=O
->	10R-hydroxystearic acid	(atypical)		1		1	CCCCCCCC[C@@H](O)CCCCCCCCC(=O)O
->	11-hydroxyoctadeca-7E,9E-dienoic acid	(atypical)		1		1	CCCCCCCC(O)/C=C/C=C/CCCCCC(O)=O
->	12',13'-trans-14',15'-dihydrobacillaene B aglycon	(atypical)		1		1	C/C(NC(CC(O)/C(C)=C\C=C/C=C(C)/C=C/C=C\CCCNC(C(O)CC(C)C)=O)=O)=C/C=C/C=C/C(C)C(O)=O
->	12-hydroxytrichobrasilenol	(atypical)		1		1	C[C@H]1CC[C@]2([H])/C(CC(C)(C)C[C@]21[H])=C(CO)\CO
->	12β-hydroxyisorhodeasapogenin	(atypical)		1		1	C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]3[C@H](C[C@@H]4[C@]3(C)[C@H](O)C[C@H]5[C@H]4CC[C@H]6[C@]5(C)[C@H](O)C[C@H](O)C6)O2
->	14-hydroxy-pentadecatrienoic acid (position of double bonds is unknown)	(atypical)		1		0	
->	14R-hydroxypalmitic acid	(atypical)		1		1	CC[C@@H](O)CCCCCCCCCCCCCCCCCCCC(=O)O
->	15,16-dihydroxyisopimar-7-en-19-oic acid	(atypical)		1		1	C[C@]1(C(O)=O)CCC[C@@]2(C)[C@H]1CC=C3[C@@H]2CC[C@](C)(C(O)CO)C3
->	1α-hydroxy-ent-13-epi-manoyl oxide	(atypical)		1		1	C=C[C@@]3(C)CC[C@@H]2[C@](C)(CC[C@@H]1C(C)(C)CC[C@H](O)[C@]12C)O3
->	2',3-dihydroxy-5'-methylchalcone	(atypical)		1		1	CC1=CC(C(/C=C/C2=CC(O)=CC=C2)=O)=C(O)C=C1
->	2,2-dihydroxyacetic acid	(atypical)		1		1	O=C(O)C(O)O
->	2,2-dimethylchromen-6-ol	(atypical)		1		1	CC1(C=CC2=C(O1)C=CC(O)=C2)C
->	2,3,4-trihydroxybutanoic acid	(atypical)		1		0	
->	2,3-butandiol	(atypical)		1		1	CC(O)C(O)C
->	2,4,6,8,10,12,14,16-octamethyl-17-hydroxytetratriacontanoic acid	(atypical)		1		1	CCCCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(=O)O
->	2,4,6-trihydroxyacetophenone	(atypical)		1		1	OC1=CC(O)=CC(O)=C1C(C)=O
->	2,4-dihydroxy-5-chloro-6-propyl-phenol	(atypical)		1		1	CCCc1c(O)c(O)cc(O)c1Cl
->	2,4-dihydroxy-5-chloro-6-propylphenol	(atypical)		1		1	CCCc1c(O)c(O)cc(O)c1Cl
->	2,4-dihydroxy-6-pentylbenzoic acid	(atypical)		1		1	O=C(O)C1=C(O)C=C(O)C=C1CCCCC
->	2,4-dihydroxy-6-propylbenzoic acid	(atypical)		1		1	O=C(O)C1=C(O)C=C(O)C=C1CCC
->	2,6-dihydroxy-4-(3-hydroxy-5-methylphenoxy)benzoic acid	(atypical)		1		1	CC1=CC(O)=CC(OC2=CC(O)=C(C(O)=C2)C(O)=O)=C1
->	2-(4-(hydroxymethyl)-1,3-dioxolan-2-yl)propane-1,3-diol	(atypical)		1		1	OCC(C1OCC(CO)O1)CO
->	2-amino-2-deoxy-2-C-methyl-pentonic acid (2-amino-2-methyl-3,4,5-trihydroxypentanoic acid)	(atypical)		1		1	OC(C(CO)O)C(C)(N)C(O)=O
->	2-nonyl-4,6-dihydroxybenzoic acid	(atypical)		1		1	OC1=CC(O)=CC(CCCCCCCCC)=C1C(O)=O
->	2-oxindole-3-acetic acid	(atypical)		1		1	O=C(O)CC1C(NC2=C1C=CC=C2)=O
->	2-phenylethanamine	(atypical)		1		1	NCCc1ccccc1
->	2-sulfomalonic acid	(atypical)		1		1	O=C(O)C(OS(=O)(O)=O)C(O)=O
->	21β-hydroxyursolic acid	(atypical)		1		1	O[C@H]1CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)[C@@H](O)C[C@@](C(O)=O)5CC[C@](C)4[C@@](C)3CCC2C1(C)C
->	22,23-dihydroxyergosta-4,6,8(14)-trien-3-one	(atypical)		1		1	O=C1CC[C@@]2(C)C(C=CC3=C(CC[C@@H]4[C@@H](C(C(O)[C@H](C)C(C)C)O)C)[C@]4(C)CC[C@@]32[H])=C1
->	22E,24R-3-hydroxy-24-methylcholesta-5,22-diene	(atypical)		1		1	C[C@@H]([C@@H](CC1)[C@](CC2)(C)C1C(CC3)C2[C@]4(C)C3C[C@@H](O)CC4)/C=C/[C@H](C)C(C)C
->	23-amino-tetracosane-2,3,22-triol	(atypical)		1		1	CC(N)C(O)CCCCCCCCCCCCCCCCCCC(O)C(C)O
->	2R,17R,18R,22R-tetrahydroxyhexacosanoic acid	(atypical)		1		1	CCCC[C@@H](O)CCC[C@@H](O)[C@H](O)CCCCCCCCCCCCCC[C@@H](O)C(=O)O
->	2R-hydroxy-heptadec-3E-enoic acid	(atypical)		1		1	CCCCCCCCCCCCC/C=C/[C@@H](O)C(O)=O
->	2R-hydroxy-icos-3E-enoic acid	(atypical)		1		1	CCCCCCCCCCCCCCCC/C=C/[C@@H](O)C(O)=O
->	2R-hydroxynonadecanoic acid	(atypical)		1		1	CCCCCCCCCCCCCCCCC[C@@H](O)C(O)=O
->	2R-hydroxytrideca-3E,5E,7E,9E-tetraenoic acid	(atypical)		1		1	CCC/C=C/C=C/C=C/C=C/[C@@H](O)C(O)=O
->	2S-hydroxysebacic acid, 2S-hydroxydecanedioic acid	(atypical)		1		1	O=C(O)CCCCCCC[C@H](O)C(=O)O
->	3',4'-dihydroxy-6-hydroxymethylflavanone	(atypical)		1		1	O=C1CC(OC2=C1C=C(CO)C=C2)C3=CC=C(C(O)=C3)O
->	3',4'-dihydroxy-6-methylflavanone	(atypical)		1		1	CC1=CC2=C(C=C1)OC(CC2=O)C3=CC=C(C(O)=C3)O
->	3'-hydroxy-6-hydroxymethylflavanone	(atypical)		1		1	O=C1CC(OC2=C1C=C(CO)C=C2)C3=CC=CC(O)=C3
->	3,4-dihydroxybenzoic acid, protocatehuic acid	(atypical)		1		1	OC1=C(O)C=C(C(O)=O)C=C1
->	3,5-dihydroxycinnamic acid	(atypical)		1		1	OC1=CC(O)=CC(/C=C/C(O)=O)=C1
->	3,6,2'-trihydroxyflavonol	(atypical)		1		1	O=C1C2=CC(O)=CC=C2OC(C3=C(C=CC=C3)O)=C1O
->	3,6-diphenylbenzene-1,2,4-triol	(atypical)		1		1	OC1=C(C2=CC=CC=C2)C(O)=CC(C3=CC=CC=C3)=C1O
->	3-(3,3-dichloro-2-hydroxypropyl)-6-methoxy-8-hydroxy-1H-2-benzopyran-1-one	(atypical)		1		1	OC1=C2C(C=C(CC(O)C(Cl)Cl)OC2=O)=CC(OC)=C1
->	3-(hydroxymethyl)-2-pentylphenol	(atypical)		1		1	OC1=CC=CC(CO)=C1CCCCC
->	3-(methylthio)propanoic acid	(atypical)		1		1	O=C(O)CCSC
->	3-aminopropan-1-ol	(atypical)		1		1	C(CN)CO
->	3-dihydroalisol A	(atypical)		1		1	OC1CC[C@@]2(C)C(CC[C@@]3(C)C2[C@@H](O)CC4=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(O)C)CC[C@]34C)C1(C)C
->	3-heptyl-5-hydroxyphenyl 6-heptyl-2,6-dihydroxybenzoate	(atypical)		1		1	OC1=CC(OC(C2=C(CCCCCCC)C=C(O)C=C2O)=O)=CC(CCCCCCC)=C1
->	3-hydroxy propanoic acid	(atypical)		1		1	C(O)CC(O)=O
->	3-hydroxy-1,4-dimethoxy-9H-xanthen-9-one	(atypical)		1		1	O=C1C(C=CC=C2)=C2OC3=C1C(OC)=CC(O)=C3OC
->	3-hydroxy-13E-eicosenoic acid	(atypical)		1		1	CCCCCC/C=C/CCCCCCCCCC(O)CC(O)=O
->	3-hydroxy-5-methyl phenol	(atypical)		1		1	OC1=CC(C)=CC(O)=C1
->	3-methyl-acetobenzene-2,4-diol	(atypical)		1		1	CC(C1=CC=C(O)C(C)=C1O)=O
->	3-methylnaphthalene-1,6,8-triol	(atypical)		1		1	OC1=CC(C)=CC2=C1C(O)=CC(O)=C2
->	3α-hydroxy-(Z)-24-methyl-5α-lanosta-8,23,25-trien-21-oic acid	(atypical)		1		1	O[C@@H]1CC[C@@]2(C3=C(CC[C@H]2C1(C)C)[C@]4(C)CC[C@@H]([C@@]4(C)CC3)[C@@H](C/C=C(C(C)=C)\C)C(O)=O)C
->	3α-hydroxy-5α-lanosta-8,24-dien-21-oic acid	(atypical)		1		1	C/C(C)=C\CC[C@@H](C(=O)O)C1CC[C@@]2(C)/C4=C(CCC12C)/C3(C)CC[C@@H](O)[C@](C)(C)[C@@H]3CC4
->	3β,23-dihydroxyolean-12-en-28-oic acid	(atypical)		1		1	CC1(CC[C@@]2(CC[C@@]3(C(C2C1)=CCC4[C@]5(CC[C@@H]([C@@](CO)(C5CC[C@]43C)C)O)C)C)C(O)=O)C
->	3β,7β,15α-trihydroxyolean-12-en-28-oic acid	(atypical)		1		1	CC1(C)CC[C@]2(C(O)=O)C[C@@H]([C@]3(C)C([C@@H]2C1)=CC[C@@H]4[C@@]5(C)CC[C@H](O)C([C@@H]5C[C@H](O)[C@]43C)(C)C)O
->	3β,7β,15β-trihydroxy-4,4,14-trimethyl-pregn-8-ene-11,20-dione	(atypical)		1		1	CC1(C)[C@@H](O)CC[C@]2(C)/C4=C([C@@H](O)C[C@@H]12)/[C@]3(C)[C@H](O)C[C@H](C(=O)O)[C@@]3(C)CC4=O
->	3β-hydroxy-olean-12-ene-23,28,30-trioic acid	(atypical)		1		1	C[C@]5(C(=O)O)CC[C@]4(C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC[C@]23C)[C@@H]4C5
->	3′-azido-3′-deoxythymidine	(atypical)		1		1	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
->	4'-hydroxy-6-hydroxymethylflavanone	(atypical)		1		1	O=C1CC(OC2=C1C=C(CO)C=C2)C3=CC=C(C=C3)O
->	4,5,6-trihydroxy-2-methoxyhexanoic acid	(atypical)		1		1	O=C(O)C(OC)CC(O)C(O)CO
->	4,8,12,16,20-pentamethyltricosanol	(atypical)		1		1	CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCO
->	4-aminobutyric acid	(atypical)		1		1	O=C(O)CCCN
->	4-Bromobenzyl alcohol	(atypical)		1		1	OCc1ccc(Br)cc1
->	4-Chlorobenzyl alcohol	(atypical)		1		1	OCc1ccc(Cl)cc1
->	4-hydroxymethylcatechol	(atypical)		1		1	OCc1ccc(O)c(O)c1
->	4-hydroxyphenazine-1-carboxylic acid	(atypical)		1		1	O=C(O)C1=CC=C(O)C2=NC3=CC=CC=C3N=C21
->	4-methylresorcinol	(atypical)		1		1	OC1=CC(O)=C(C)C=C1
->	5,6,8-trihydroxy-2,7-dimethyl-4H-chromen-4-one	(atypical)		1		1	O=C(C=C(C)O1)C2=C1C(O)=C(C)C(O)=C2O
->	5,6-dihydroxymellein	(atypical)		1		1	C[C@@H]2Cc1c(O)c(O)cc(O)c1C(=O)O2
->	5,7-dihydroxy-2,6-dimethyl-4H-chromen-4-one	(atypical)		1		1	O=C(C=C(C)O1)C2=C1C=C(O)C(C)=C2O
->	5,7-dihydroxy-2,8-dimethyl-4H-chromen-4-one	(atypical)		1		1	O=C(C=C(C)O1)C2=C1C(C)=C(O)C=C2O
->	5,7-dihydroxy-2-methylchroman-4-one	(atypical)		1		1	OC1=CC(O)=CC(OC(C)C2)=C1C2=O
->	5,7-dihydroxy-2-propylchromone	(atypical)		1		1	CCCC1=CC(C2=C(O1)C=C(O)C=C2O)=O
->	5,8-tetradecadienoic acid	(atypical)		1		1	CCCCCC=CCC=CCCCC(O)=O
->	5-(hydroxymethyl)benzene-1,3-diol	(atypical)		1		1	OC1=CC(O)=CC(CO)=C1
->	5-chloro-6-hydroxymellein	(atypical)		1		1	C[C@@H]2Cc1c(Cl)c(O)cc(O)c1C(=O)O2
->	5-ethyl-2-methylbenzene-1,3-diol	(atypical)		1		1	OC1=CC(CC)=CC(O)=C1C
->	5-heptylresorcinol	(atypical)		1		1	OC1=CC(CCCCCCC)=CC(O)=C1
->	5-hydroxy-9,10-dioxo-9,10-dihydroanthracene-1,3-dicarboxylic acid	(atypical)		1		1	O=C1C2=C(C(C3=C1C(C(O)=O)=CC(C(O)=O)=C3)=O)C(O)=CC=C2
->	5-hydroxymethyluracil	(atypical)		1		1	O=c1[nH]cc(CO)c(=O)[nH]1
->	5-hydroxypentanoic acid	(atypical)		1		0	
->	5-hydroxyurdamycin B aglycon	(atypical)		1		1	O=C1C2=C(C=C(C(C[C@](C)(C3)O)=C2C3=O)O)C(C4=C(O)C=CC=C41)=O
->	5-methoxy-6,8-dihydroxy-3-methylisochromen-1-one	(atypical)		1		1	O=c1oc(C)cc2c(OC)c(O)cc(O)c12
->	5α-lanosta-8,24-diene-3α,21-diol	(atypical)		1		1	O[C@@H]1CC[C@]2(C)C3=C([C@@]4(CC[C@H]([C@H]([CH2]O)CC/C=C(C)\C)[C@]4(CC3)C)C)CC[C@H]2C1(C)C
->	6-chloro-1H-indole-3-carboxylic acid	(atypical)		1		1	O=C(O)C1=CNC2=C1C=CC(Cl)=C2
->	6-demethylsterigmatocystin	(atypical)		1		1	O=C1C2=C(C([C@H](C=CO3)[C@H]3O4)=C4C=C2O)OC5=C1C(O)=CC=C5
->	6-hydroxymusizin	(atypical)		1		1	OC1=C(C(C)=O)C(C)=CC2=C1C(O)=CC(O)=C2
->	6-prenylapigenin	(atypical)		1		1	C/C(C)=C\CC1=C(O)C2=C(OC(C3=CC=C(O)C=C3)=CC2=O)C=C1O
->	7-desmethyldeoxyneofusapyrone aglycon	(atypical)		1		1	CCCCCCC(C/C(C)=C\C(/C=C(/C=C/C(O)C(C1=CC(O)=CC(O1)=O)C)C)C)C
->	7-hydroxycoumarin	(atypical)		1		1	C1=CC(=CC2=C1C=CC(=O)O2)O
->	7-methyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1,4a,5,7(1H)-tetraol	(atypical)		1		1	CC1(O)CC(O)C2(O)/C=C\OC(O)C12
->	8-aminooctanol	(atypical)		1		1	NCCCCCCCCO
->	8-hydroxydeca-2E,4Z-dienoic acid	(atypical)		1		1	CCC(O)CC/C=C\C=C\C(=O)O
->	8-methoxynaphthalene-1,6-diol	(atypical)		1		1	OC1=CC=CC2=C1C(OC)=CC(O)=C2
->	8-prenylapigenin	(atypical)		1		1	C/C(C)=C\CC1=C(O)C=C(O)C2=C1OC(C3=CC=C(O)C=C3)=CC2=O
->	9-methoxycarbonylnonyl	(atypical)		1		1	COC(=O)CCCCCCCCO
->	alaninol	(atypical)		1		1	NC(C)CO
->	alisol F	(atypical)		1		1	O=C1CC[C@@]2(C)C(CC[C@@]3(C)C2[C@@H](O)CC4=C([C@H](C)C[C@H](O5)[C@@H](O)C(C)(O)C)[C@@H]5C[C@]34C)C1(C)C
->	alisol G	(atypical)		1		1	O=C1CC[C@@]2(C)C(CC[C@@]3(C)C2[C@@H](O)CC4=C([C@H](C)C[C@H](O)[C@@H](O)C(C)=C)CC[C@]34C)C1(C)C
->	alizarin	(atypical)		1		1	O=C(C1=C2C(O)=C(O)C=C1)C3=CC=CC=C3C2=O
->	asperalacid E aglycon	(atypical)		1		1	C[C@]1(CC/2)[C@@H](CCC(C(O)=O)=CC1)C2=C(C)\CO
->	asperflavin	(atypical)		1		1	COC1=CC(O)=CC(C=C2C[C@@](C)(C3)O)=C1C(O)=C2C3=O
->	asperfuran	(atypical)		1		1	C/C=C/C=C/[C@H]1CC2=CC(O)=CC(O)=C2O1
->	Aspergillus glycoprotein	(atypical)		1		0	
->	auxarthonoside aglycon	(atypical)		1		1	C/C(=C\CC/C=C(C)/CC[C@@H]1O[C@H](C(C)(C)O)CC[C@@]1(C)O)CC[C@@H]2O[C@H](C(C)(C)O)CC[C@@]2(C)O
->	batatasin III	(atypical)		1		1	OC1=CC=C(CCC2=CC(O)=CC(OC)=C2)C=C1
->	beauverichelin A aglycon	(atypical)		1		1	C/C(CCOC([C@@H](N(C)(C)=O)CCCN(C(/C=C(CCO)\C)=O)O)=O)=C/C(N(CCC[C@@H]1NC([C@@H](NC1=O)CCCN(C(/C=C(CCO)\C)=O)O)=O)O)=O
->	brasilane E aglycon	(atypical)		1		1	C[C@H]1CC[C@@]2([C@]([C@]3(CO)C=O)(O3)CC(C)(C[C@]21[H])C)[H]
->	burnettramic acid B aglycon	(atypical)		1		1	CC(CC(C(O)=C1C([C@H]2C[C@@H](O)CN2C1=O)=O)C)CCCCCCCCCC=CCC(O)CCCC(O)CCCCCO
->	but-3-enohydroximol	(atypical)		1		1	C=CC/C(O)=N/O
->	calcitriol	(atypical)		1		1	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
->	campesterol	(atypical)		1		1	O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C1
->	carnemycin D aglycon	(atypical)		1		1	C/C=C/C=C/CCC1=CC(O)=CC(O)=C1C(O)=O
->	carnemycin E aglycon	(atypical)		1		1	CCC/C=C/C=C/CCC1=CC(O)=CC(O)=C1
->	carnemycin F aglycon	(atypical)		1		1	CCC/C=C/C=C\CCC1=CC(O)=CC(O)=C1
->	carnemycin G aglycon	(atypical)		1		1	CCC/C=C\C=C\CCC1=CC(O)=CC(O)=C1
->	CDHOH-CH(NH2)-CHOH-CH2-CDOH-CH3	(atypical)		1		1	CC(CC(O)C(N)C(O)[2H])(O)[2H]
->	cell wall mannan	(atypical)		1		0	
->	chartarlactam D aglycon	(atypical)		1		1	OC1=C(CC2([C@](CC[C@@H](O)C3(C)C)(C)[C@H]3CC[C@H]2C)O4)C4=C(CNC5=O)C5=C1
->	chromane moiety	(atypical)		1		1	OC1=C([C@H](O)C[C@@H](C)O2)C2=CC=C1
->	cordyol C	(atypical)		1		1	CC1=CC(OC2=C(O)C(O)=CC(C)=C2)=CC(O)=C1
->	dactylfungin A aglycon	(atypical)		1		1	CC(CC(CO)/C=C(/C=C/C(C(c(cc(O)c1)oc1=O)(C)C)O)C)CC(C)C/C(C)=C/C=C/C(C)=C/C(CC)C
->	dactylfungin B aglycon	(atypical)		1		1	CC(CC(CO)/C=C(/C=C/C(C(c(c1)oc(O)cc1=O)(C)C)O)C)CC(C)C/C(C)=C/C=C/C(C)=C/C(CC)C
->	debenzoylpaeoniflorigenin	(atypical)		1		1	C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)CO)O)O
->	deca-2E,4E,6E-trienoic acid	(atypical)		1		1	CCC/C=C/C=C/C=C/C(=O)O
->	decarboxyhydroxycitrinone	(atypical)		1		1	CC1=C(O)C=C(O)C2=C1C(C)=C(CO)OC2=O
->	delphinidin	(atypical)		1		1	OC1=C(C2=CC(O)=C(O)C(O)=C2)[O+]=C3C=C(O)C=C(O)C3=C1
->	denthyrsinin	(atypical)		1		1	COC1=C(O)C(OC)=C2C(C=CC3=C2C=CC(O)=C3OC)=C1
->	dermochrysone	(atypical)		1		1	O=C1C2=C(O)C3=C(C=C(OC)C=C3O)C=C2C[C@@](C1)(O)CC(C)=O
->	digoxigenin	(atypical)		1		1	O=C1OCC([C@H]2CC[C@]3(O)[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])C[C@@H](O)[C@]23C)=C1
->	diplopimarane	(atypical)		1		1	CC1(C)CCCC2=C1C(O)=C(O)C3=C2CC[C@](C)(C=C)[C@@H]3O
->	dodec-2E-enoic acid	(atypical)		1		1	CCCCCCCCC/C=C/C(=O)O
->	dodecan-2-ol	(atypical)		1		1	CCCCCCCCCCC(C)O
->	dodecane-1,11S-diol	(atypical)		1		1	C[C@H](O)CCCCCCCCCCO
->	dunnianoside B aglycon	(atypical)		1		1	O=C1C(C)(C)[C@@](C2=CC=C(C)C=C2)(C)C[C@H]1O
->	ECA (ID 11055)	(atypical)		1		0	
->	elaeicolaside A aglycon	(atypical)		1		1	C[C@@]12[C@](C[C@H](O)C3=C[C@@](C)(CCO)CC[C@@]32[H])([H])[C@](C)(OO)CCC1
->	epicoccamide D aglycon	(atypical)		1		1	CC1C(/C(C(N1C)=O)=C(O)\C(CCCCCCCCCCCCCCCCO)C)=O
->	erinacine P aglycon	(atypical)		1		1	CC(C)/C3=C/2[C@H]1C[C@@H](O)/C(C=O)=C\[C@H](O)[C@]1(C)CC[C@@]2(C)CC3
->	erinacine R aglycon	(atypical)		1		1	CC(C)/C3=C/2[C@H]1C[C@@H](O)/C(C=O)=C\[C@H](O)[C@]1(C)CC(=O)[C@@]2(C)CC3
->	fomitoside C aglycon	(atypical)		1		1	C/C(C)=C\CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)/C4=C(CC[C@]12C)/[C@@]3(C)CCC(=O)C(C)(C)C3CC4
->	fulicinerine	(atypical)		1		1	CC[C@H]([C@@H](O)[C@H]1[C@H](C[C@@H](/C=C/C=C(C2=CC(O)=C3C(OC4=C3C(O)=C(CC[C@H](CO)C)C=C4)=C2)\C)C)O1)C
->	fumigatoside B aglycon	(atypical)		1		1	C[C@@H]1N[C@H]2N(C3=C([C@]2(C[C@H]4C(N[C@](O)(C5=NC6=C(C(N54)=O)C=CC=C6)C)=O)O)C=CC=C3)C1=O
->	fumigatoside C aglycon	(atypical)		1		1	C[C@@H]1N[C@H]2N(C3=C([C@]2(C[C@H]4C(N[C@@H](C5=NC6=C(C(N54)=O)C=CC=C6)C)=O)O)C=CC=C3)C1=O
->	fumigatoside D aglycon	(atypical)		1		1	C[C@@H]1N[C@H]2N(C3=C([C@]2(C[C@H]4C(N[C@H](C5=NC6=C(C(N54)=O)C=CC=C6)C)=O)O)C=CC=C3)C1=O
->	fumihopaside A aglycon	(atypical)		1		1	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]5(C)[C@@H]2CC[C@@H]4[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@@H]3CC[C@]45C
->	fumihopaside B aglycon	(atypical)		1		1	C=C(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]5(C)[C@@H]2CC[C@@H]4[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@@H]3CC[C@]45C
->	ganosinoside A aglycon	(atypical)		1		1	C/C(C)=C\CCC(C(=O)O)[C@H]1CC[C@@]2(C)/C4=C(CC[C@]12C)/[C@@]3(C)CCC(=O)[C@](C)(C)C3CC4
->	gigantol	(atypical)		1		1	COC1=C(O)C=C(CCC2=CC(O)=CC(OC)=C2)C=C1
->	gliocladinin D aglycon	(atypical)		1		1	COC1=CC=C(C2=C(O)C(OC)=C(C3=CC=C(OC)C=C3)C(O)=C2OC)C=C1
->	glycyrrhetinic acid	(atypical)		1		1	OC1CC[C@@]2(C)[C@](CC[C@]([C@@](CC[C@]3(C)[C@@]4([H])C[C@@](C)(C(O)=O)CC3)(C)C4=C5)(C)[C@]2([H])C5=O)([H])C1(C)C
->	glyscavin A aglycon	(atypical)		1		1	OC1=CC=C(O)C(/C=C/C=C/C)=C1CO
->	glyscavin B aglycon	(atypical)		1		1	OC1=CC=C(O)C(/C=C/CCC)=C1CO
->	glyscavin C	(atypical)		1		1	OC1=CC=C(O)C(CCCCC)=C1CO
->	H, sugar residue or OS unit	(atypical)		1		0	
->	halosmysin C aglycon	(atypical)		1		1	O=C1/C=C/[C@@H](O)[C@H](O)C[C@@H](C)OC(/C=C/C[C@H](C)O1)=O
->	hebevinoside aglycon	(atypical)		1		1	O[C@H]1C[C@@]2(C)[C@]3([H])CC=C4C(C)(C)[C@@H](O)CC[C@@]4([H])[C@]3(C)CC[C@]2(C)[C@H]1[C@@H](CC/C=C(C(O)=O)\C)C
->	heptadec-8E-ene-2,16-diol	(atypical)		1		1	CC(O)CCCCC/C=C/CCCCCCC(O)C
->	heptadec-9E-ene-1,16-diol	(atypical)		1		1	CC(O)CCCCC/C=C/CCCCCCCCO
->	hexadec-7Z-enoic acid	(atypical)		1		1	CCCCCCCC/C=C\CCCCCC(=O)O
->	hexadecane-1,15-diol	(atypical)		1		1	CC(O)CCCCCCCCCCCCCCO
->	hexadecane-1,16-diol	(atypical)		1		1	OCCCCCCCCCCCCCCCCO
->	hexadecanol	(atypical)		1		1	CCCCCCCCCCCCCCCCO
->	hormodin	(atypical)		1		1	O=C(O)CCCC1=CNC2=C1C=CC=C2
->	hymatoxin K aglycon	(atypical)		1		1	O=C1[C@@]2(C)CCC[C@@]3(C)[C@@]2([H])C(O1)C=C4[C@]3(O)CC[C@@](CCO)(C)C4[H]
->	hymatoxin L aglycon	(atypical)		1		1	O=C1[C@@]2(C)CCC[C@@]3(C)[C@@]2([H])C(O1)C=C4[C@]3([H])CC[C@@](CCO)(C)[C@@H]4O
->	hypomonticuside aglycon	(atypical)		1		1	CO[C@@]1(C)CCC[C@@]2(C)C1CC=C3C2CC[C@@](CCO)(C)C3
->	hypoxyloside A aglycon	(atypical)		1		1	C[C@]1(C(O2)=O)CCC[C@]3(C)[C@@]4([H])CC[C@](C)(CCO)CC4=C[C@]2([H])[C@@]13[H]
->	hypoxyloside B aglycon	(atypical)		1		1	C[C@@]1(CCO)CC2=CC[C@@]3([H])C(C(O)=O)=C(C)CC[C@]3(C)[C@@]2([H])CC1
->	hypoxyloside C aglycon	(atypical)		1		1	C[C@]1(CC2=CC[C@]3([C@@](C(O)=O)(CCC[C@@]3([C@]2(CC1)[H])C)CO)[H])CCO
->	hypoxyloside D aglycon	(atypical)		1		1	C[C@@]1([C@H](CC[C@@]2([C@]3(CC[C@](CCO)(CC3=CC[C@@]12[H])C)[H])C)O)C(O)=O
->	hypoxyloside E aglycon	(atypical)		1		1	O=C1[C@H](C)CC[C@]2(C)[C@@]3([H])CC[C@](C)([C@H](O)CO)CC3=CC[C@@]12[H]
->	hypoxyloside F aglycon	(atypical)		1		1	C[C@]1(C(O)=O)CCC[C@@]2(C)[C@H]1CC=C3[C@@H]2CC[C@](C)([C@@H](O)CO)C3
->	indigotide B aglycon	(atypical)		1		1	C[C@@H]1OC2=CC3=C(C(O)=C2C([C@H]1C)=O)C(O)=CC(O)=C3
->	indole-3-acetic acid	(atypical)		1		1	O=C(O)CC1=CNC2=C1C=CC=C2
->	iso-2-hydroxyundecanoic acid (iso-11:0 (2-OH))	(atypical)		1		1	CC(C)CCCCCCC(O)C(O)=O
->	isoangustone A	(atypical)		1		1	C/C(C)=C\CC1=CC(C2=COC3=C(C2=O)C(O)=C(C/C=C(C)\C)C(O)=C3)=CC(O)=C1O
->	isocoumarin moiety	(atypical)		1		1	OC1=C2C(C=C(C)OC2=O)=CC(O)=C1
->	isotorachrysone	(atypical)		1		1	COC1=CC(O)=CC2=C1C(O)=C(C(C)=O)C(C)=C2
->	juglanthraquinone A	(atypical)		1		1	CCOC(C(C=C(C=C1C(C2C(O)=CC=CC23)=O)C(O)=O)=C1C3=O)=O
->	krasilnikolide A aglycon	(atypical)		1		1	C/C([C@H](O)[C@@H](C)C(O1)=O)=C\C=C\[C@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](O)/C(C)=C/[C@@H](C)[C@H]1/C(C)=C/C
->	kurarinone	(atypical)		1		1	C=C(C)C(C/C=C(C)\C)C(C)C1=C(O)C=C(OC)C2=C1O[C@@H](CC2=O)C3=CC=C(O)C=C3O
->	L-leucinol	(atypical)		1		1	CC(C)C[C@H](N)CO
->	lactyl-peptide	(atypical)		1		0	
->	machaerinic acid	(atypical)		1		1	O[C@H]1CC[C@@]2([C@]3(CC=C4[C@@]5(CC([C@@H](O)C[C@@]5(CC[C@]4([C@@]3(CC[C@@]2([H])C1(C)C)C)C)C(O)=O)(C)C)[H])[H])C
->	macrolactin A	(atypical)		1		1	CC1CCC/C=C/C=C/C(CC(C/C=C\C=C\C(C/C=C/C=C\C(=O)O1)O)O)O
->	mannan backbone polysaccharide (ID 12034)	(atypical)		1		0	
->	mannan core	(atypical)		1		0	
->	matairesinol	(atypical)		1		1	COC1=C(O)C=CC(C[C@H]2COC([C@@H]2CC3=CC(OC)=C(O)C=C3)=O)=C1
->	methoxycarbonyldiorcinol	(atypical)		1		1	COC(C1=C(O)C=C(OC2=CC(C)=CC(O)=C2)C=C1C)=O
->	methylacetophenone	(atypical)		1		1	CC(=O)c1cc(C)c(O)cc1O
->	morin	(atypical)		1		1	O=C1C(O)=C(OC2=C1C(O)=CC(O)=C2)C3=C(O)C=C(O)C=C3
->	mycophenolic acid	(atypical)		1		1	COC1=C(C(CO2)=C(C(O)=C1C/C=C(C(CC(O)=O)O)\C)C2=O)C
->	myrotheside C aglycon	(atypical)		1		1	CO[C@@H]1O[C@H]6C[C@H]2C(C)(C)[C@@H](O)CC[C@@]12/C5=C/C[C@]4(C)[C@H]3[C@H](O)C[C@@H](C(C)C)[C@]3(C)CC[C@@]4(C)[C@@H]56
->	myrotheside D aglycon	(atypical)		1		1	CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]3(C)[C@H]5/C(=C\C[C@]23C)[C@]46CC[C@@H]7OC4O[C@H]5C[C@H]6C7(C)C
->	N-(2-hydroxyethyl)-2-aminoethylphosphonic acid	(atypical)		1		1	OP(CCNCCO)(O)=O
->	N-(diaminomethylidene)formamide	(atypical)		1		1	N=C(N)NC=O
->	naphtalene-1,8-diol	(atypical)		1		1	OC1=CC=CC2=C1C(O)=CC=C2
->	nerolidol	(atypical)		1		1	C=C[C@@](C)(O)CC/C=C(C)/CC/C=C(C)/C
->	nidurufin	(atypical)		1		1	C[C@]12CC[C@@H]([C@H](O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)O)O
->	nigakinone	(atypical)		1		1	COC1=C(C(N2C3=CC=CC=C3C4=C2C1=NC=C4)=O)O
->	nigrosphaerin A aglycon	(atypical)		1		1	OC1=CC(C(O)=C2C3=CC(O)=C(O)C=C3)=C(C(O2)=O)C(O)=C1
->	nitrile	(atypical)		1		1	C#N
->	O-polysaccharide	(atypical)		1		0	
->	octa-2E,4E,6E-trienoic acid	(atypical)		1		1	C/C=C/C=C/C=C/C(=O)O
->	oleanolic acid	(atypical)		1		1	O[C@H]1CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@](C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@]([H])2C1(C)C
->	ophioglonin	(atypical)		1		1	C1C2=C(C=CC(=C2O)O)C3=C(O1)C(=O)C4=C(C=C(C=C4O3)O)O
->	orbiocrellin A aglycon	(atypical)		1		1	OC1=CC=C(C2=CN(O)C(C(C3C(C)CCC(C)O3)=C2O)=O)C=C1
->	pelargonidin	(atypical)		1		1	OC1=C(C2=CC=C(O)C=C2)[O+]=C3C=C(O)C=C(O)C3=C1
->	penostatin F	(atypical)		1		1	[H][C@@]12C(C[C@H](O)C2)=C[C@@](O)([C@H](CCCCCCC)/C=C\C(C)=C/[C@]31[H])C3=O
->	penostatin I	(atypical)		1		1	[H][C@]12C(C[C@H](O)C2)=C[C@](O)([C@@H](CCCCCCC)/C=C\C(C)=C/[C@@]31[H])C3=O
->	pentadecan-7-ol	(atypical)		1		1	CCCCCCCCC(O)CCCCCC
->	pestalotioquinoside A aglycon	(atypical)		1		1	C/C(C)=C\CC/C(C)=C/CCC(C#CC1=CC(O)=CC=C1O)=C
->	pestalotioquinoside B aglycon	(atypical)		1		1	C/C(C(O)=O)=C\CC/C(C)=C/CCC(C#CC1=CC(O)=CC=C1O)=C
->	pestalotioquinoside C aglycon	(atypical)		1		1	C/C(C)=C/CCC(C#CC1=CC(O)=CC=C1O)=C
->	phenolphtiocerol	(atypical)		1		1	CCC(O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCc1ccc(O)cc1
->	phlorobutyrophenone	(atypical)		1		1	CCCC(=O)c1c(O)cc(O)cc1O
->	pinicolic acid C	(atypical)		1		1	C=C(C)[C@@H]3CC/C1=C(CC[C@]2(C)[C@@H]([C@@H](CC/C=C(C)/C)C(=O)O)CC[C@@]12C)\[C@@]3(C)CCC(=O)O
->	pityriacitrin D aglycon	(atypical)		1		1	O=C(C1=CC2=C(C(C(C3=CNC4=C3C=CC=C4)=O)=N1)NC5=C2C=CC=C5)O
->	porphyra-334	(atypical)		1		1	CC(O)C(N/C1=C(O)/C(=N/CC(=O)O)CC(O)(CO)C1)C(=O)O
->	protein CSP, MSP-1 to MSP-10	(atypical)		1		0	
->	protobioside aglycon	(atypical)		1		1	C[C@@H](CO)CC[C@@]5(O)OC4CC3C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C
->	puniceusine O aglycon	(atypical)		1		1	CC1=C(O)C(C=NC=C2)=C2C=C1OC
->	R-(-)-5-hydroxymellein	(atypical)		1		1	C[C@@H]1CC2=C(O)C=CC(O)=C2C(O1)=O
->	R-(−)-3,4-dihydro-3-methyl-5,8-dihydroxy-1H-2-benzopyran1-one	(atypical)		1		1	C[C@@H]2Cc1c(O)c(O)cc(O)c1C(=O)O2
->	raffinose aldehyde in hydrate form	(atypical)		1		1	OC(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
->	regiolone	(atypical)		1		1	O=C1CC[C@@H](O)c2cccc(O)c12
->	repeat unit of EPS (ID 12344)	(atypical)		1		0	
->	repeating units of teichoic acid (IDs 12356-12359)	(atypical)		1		0	
->	resorcinoside V aglycon	(atypical)		1		1	CC[C@@H]([C@@H](CCCCCCC/C=C/C=C/CCC1=C(CC2=C(C=C(OC2=O)C)O)C(O)=CC(O)=C1)O)C
->	Rh4 aglycon	(atypical)		1		1	C/C(C)=C\C\C=C(C)\C3CC[C@@]4(C)C2C[C@H](O)C1C(CC[C@H](O)[C@]1(C)C)C2C[C@@H](O)C34
->	S39163/F–I aglycon	(atypical)		1		1	CC(C/C=C/C(C)=C/C(CC(C)CC)C)C(C(/C=C(C)/C=C/C(O)C(C)(C)c1oc(=O)cc(O)c1)C)O
->	scillarenin A	(atypical)		1		1	O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=COC(C=C5)=O)CC[C@]4(O)[C@@H]3CCC2=C1
->	silybin A	(atypical)		1		1	COC1=CC([C@H]2OC3=CC([C@@H]4OC5=CC(O)=CC(O)=C5C([C@H]4O)=O)=CC=C3O[C@@H]2CO)=CC=C1O
->	silybin B	(atypical)		1		1	COC1=CC([C@@H]2OC3=CC([C@@H]4OC5=CC(O)=CC(O)=C5C([C@H]4O)=O)=CC=C3O[C@H]2CO)=CC=C1O
->	< untitled 14 >	(atypical)		1		1	C/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CO
->	< untitled 15 >	(atypical)		1		1	C/C(CCO)=C/C(N(CCC[C@@H](N(C)(C)=O)C(O)=O)O)=O
->	< untitled 16 >	(atypical)		1		1	CC(=O)NC(CSC(=S)NC(C(=O)O)C(C)SCC(NC(C)=O)C(=O)O)C(=O)O
->	< untitled 17 >	(atypical)		1		1	CC(C)CCCC/C=C/C=C\C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]9C(=O)N[C@H](c1ccc(O)cc1)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)N[C@H](c3ccc(O)cc3)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](C[C@@H]4C/N=C(N)\N4)C(=O)N[C@@H](c5ccc(O)cc5)C(=O)N[C@H](CO)C(=O)N[C@@H](c6cc(Cl)c(O)c(Cl)c6)C(=O)NCC(=O)N[C@@H](C[C@@H]7C/N=C(N)\N7)C(=O)N[C@H](C)C(=O)N[C@@H](c8ccc(O)cc8)C(=O)O[C@@H]9C
->	< untitled 18 >	(atypical)		1		1	CC1=C(C(N[C@H](C(N[C@@H]([C@@H](O)[C@@H](C(N[C@H](C(NCCC2=N[C@@H](C3=NC(C(NCCCC/N=C(N)/N)=O)=CS3)CS2)=O)[C@H](O)C)=O)C)C)=O)[C@@H](O)C4=CN=CN4)=O)N=C([C@@H](NC[C@H](N)C(N)=O)CC(N)=O)N=C1N
->	< untitled 19 >	(atypical)		1		1	CC1COC(C(O)CO)O1
->	< untitled 20 >	(atypical)		1		1	CC1SC(=S)NC1C(=O)O
->	< untitled 21 >	(atypical)		1		1	CC3(C)O[C@H]2OC(CO)[C@@H]1OC(C)(C)O[C@@H]1[C@H]2O3
->	< untitled 22 >	(atypical)		1		1	CC4(O)C(=O)c3c(O)c2c(=O)c1cc(O)cc(O)c1c(=O)c2c(O)c3C(O)C4O
->	< untitled 23 >	(atypical)		1		1	CC4(O)C(=O)c3cc2c(=O)c1cc(O)cc(O)c1c(=O)c2c(O)c3C(O)C4O
->	< untitled 24 >	(atypical)		1		1	CC4(O)C(O)c3cc2c(=O)c1cc(O)cc(O)c1c(=O)c2c(O)c3C(O)C4O
->	< untitled 25 >	(atypical)		1		1	CCC(CC(/C=C([C@H](O)[C@H](/C=C([C@@H](O)[C@H](/C=C([C@H](O)[C@H](/C=C(C(O)=O)\C)C)\C)C)\C)C)\C)C)C
->	< untitled 26 >	(atypical)		1		1	CC[C@H]1/C=C(C)\[C@@H](O)C/C=C/C=C(CO)\C(=O)O[C@H]([C@@H](C)O)C/C=C(C)\C=C(C)/[C@@H]1O
->	< untitled 27 >	(atypical)		1		1	CN1C(=O)C[C@@](C)(O)C1C(N)=O
->	< untitled 28 >	(atypical)		1		1	C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)C/C=C/C=C/C(=O)O1)C[C@H](O)[C@H]2C
->	< untitled 29 >	(atypical)		1		1	C[C@H]1/C=C\C=C/C=C\C=C/C=C\C=C/C=C\[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@@H]1O)C[C@H](O)[C@H]2C(=O)O
->	< untitled 30 >	(atypical)		1		1	C[C@H]1/C=C\C=C/CC/C=C\C=C/C=C\C=C/[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)CCC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@@H]1O)C[C@H](O)[C@H]2C(=O)O
->	< untitled 31 >	(atypical)		1		1	C[C@H]1CC[C@@H]([C@](C)(O)CO2)[C@]31[C@H]2C=C(C)CC3
->	< untitled 32 >	(atypical)		1		1	N=C1NCC([C@H](O)[C@@H](N)C(=O)O)N1
->	< untitled 33 >	(atypical)		1		1	O1C(CO)COC1C(O)CO
->	< untitled 34 >	(atypical)		1		1	O=C(O)C(CCC/N=C/2CC(O)(CO)C/C(NCCCC(N/C1=C(O)/C(=O)CC(O)(CO)C1)C(=O)O)=C2/O)N/C3=C(O)/C(=O)CC(O)(CO)C3
->	< untitled 35 >	(atypical)		1		1	O=C1C(O)=C(C(C)O1)O
->	< untitled 36 >	(atypical)		1		1	O[C@@]1(C(O)=O)C[C@@H](O)[C@@H](O)[C@@H](O)C1
->	< untitled 37 >	(atypical)		1		1	OC1(C(C)=O)C=CCO1
->	< untitled 38 >	(atypical)		1		1	OC1=CC(/C=C/C(O)=O)=CC(OC)=C1
->	< untitled 39 >	(atypical)		1		1	O[C@H]1C[C@@](C)(O)[C@H](C(O)=O)C2=CC3=C(C(C4=C(C=CC=C4O)C3=O)=O)C(O)=C12
->	solamargine aglycon	(atypical)		1		1	CC1CC[C@@]6(NC1)OC5CC4C3C/C=C\2C[C@@H](O)CC[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C
->	sordarin D aglycon	(atypical)		1		1	C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3(CO)[C@H]4C[C@@](C=O)2[C@]([C@](O)=O)3/C(C4=O)=C(C)\C
->	sordarin F aglycon	(atypical)		1		1	C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3(CO)[C@H]4C[C@@](C=O)2[C@]([C@](O)=O)3/C(C4=O)=C\CC
->	sphinga-4E,8E-dienine	(atypical)		1		1	CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@@H](N)CO
->	spirosta-5,20-diene-3β-ol	(atypical)		1		1	C=C5C4C(CC3C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)O[C@]56CC[C@@H](C)CO6
->	stigma-5-ene-3β-ol	(atypical)		1		1	CC[C@H](CC[C@@H](C)[C@H]3CCC4C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2CC[C@]34C)C(C)C
->	strophanthidin	(atypical)		1		1	C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)[C@]3(C=O)CC[C@H](O)C4)[C@@]1(O)CC[C@@H]2C5=CC(OC5)=O
->	teichoic acid (ID 12445)	(atypical)		1		0	
->	teichoic acid (ID 12447)	(atypical)		1		0	
->	teichoic acid (ID 12449)	(atypical)		1		0	
->	teichoic acid (ID 12451)	(atypical)		1		0	
->	teichulosonic acid (ID 11774)	(atypical)		1		0	
->	tenellin	(atypical)		1		1	O=C1C(C(/C=C/C(C)=C/[C@H](C)CC)=O)=C(O)C(C2=CC=C(O)C=C2)=CN1O
->	terezine L aglycon	(atypical)		1		1	CC(C1=C(O)N=C(C(C2=CC=C(O)C=C2)=O)C(OC)=N1)C
->	tetrabromobisphenol A	(atypical)		1		1	CC(C1=CC(Br)=C(C(Br)=C1)O)(C2=CC(Br)=C(C(Br)=C2)O)C
->	tetradecane-1,14-diol	(atypical)		1		1	OCCCCCCCCCCCCCCO
->	torosachrysone	(atypical)		1		1	COc1cc(O)c2c(O)c3c(cc2c1)C[C@](C)(O)CC3=O
->	trachyloban-19-oic acid	(atypical)		1		1	C[C@@]12CCC[C@](C)(C(O)=O)[C@H]1CC[C@]34[C@H]2C[C@H]5[C@H]([C@]5(C)C4)C3
->	tribromobisphenol A	(atypical)		1		1	CC(C1=CC=C(C(Br)=C1)O)(C2=CC(Br)=C(C(Br)=C2)O)C
->	trichaspside C aglycon	(atypical)		1		1	C/C2=C/[C@H]1O[C@@H](CC(C)O)C[C@H](C)[C@H]1CC2
->	trichaspside D aglycon	(atypical)		1		1	C/C2=C/[C@H]1O[C@H](CC(C)O)C[C@H](C)[C@H]1CC2
->	trichoacorside A aglycon	(atypical)		1		1	OCC1=CC[C@]2(CC1)[C@@H](C(C)C)[C@@H](O)C[C@H]2C
->	trichosordarin A aglycon	(atypical)		1		1	O=C([C@]12[C@]3(CO)C[C@]4([H])[C@H](C)CC[C@@]4([H])[C@@]1([H])C[C@]3([H])[C@@H](O)[C@@]52[C@@H](C)C5)O
->	urdamycin A aglycon	(atypical)		1		1	O=C1C2=C(C(C3=C(C=CC=C31)O)=O)C=C[C@@](O)([C@@]24O)C[C@](C)(CC4=O)O
->	urdamycinone A aglycon	(atypical)		1		1	O=C1C[C@](C)(O)C[C@]2(O)[C@@]1(O)C(C(C3=CC=CC(O)=C3C4=O)=O)=C4[C@H](O)C2
->	urdamycinone E aglycon SMILES O=C1C2=C(C=C(SC)[C@@](C[C@](O)(C)C3)(O){12}[C@]2(O)C3=O)C(C4=C(O){9}C=CC=C41)=O	(atypical)		1		0	
->	vanillic acid	(atypical)		1		1	COC1=CC(C(O)=O)=CC=C1O
->	versicolorin B	(atypical)		1		1	C1CO[C@H]2[C@@H]1C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)O
->	water elimination product of the aldehyde	(atypical)		1		1	O=C/C1=C/[C@H](O)[C@@H](O)[C@@H](O)O1
->	xanthorin	(atypical)		1		1	CC1=CC2=C(C(C3=C(C(O)=C(OC)C=C3O)C2=O)=O)C(O)=C1
->	xylarioxide B aglycon	(atypical)		1		1	C[C@]([C@H](CC[C@]1(O)C)C[C@@]2([H])[C@@H](C)[C@H](O)C[C@]21[H])(O)CO
->	xylarioxide D aglycon	(atypical)		1		1	C[C@@]([C@H](CC[C@]1(O)C)C[C@@]2([H])[C@](C)(O)CC[C@]21[H])(O)CO
->	xylarioxide E aglycon	(atypical)		1		1	C[C@H](C(C)C)[C@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@@]2([H])C3=C[C@H](O)[C@@]4(O)COC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O
->	xylarioxide F aglycon	(atypical)		1		1	C[C@H](C(C)(O)C)/C=C/[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])C([C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O
->	YM-202204 aglycon	(atypical)		1		1	CC(C/C=C/C(C)=C/C(CC(C)CC)C)C(C(/C=C(C)/C=C/C(O)C(C)c1oc(=O)cc(O)c1)C)O
->	α-D-5-deoxy-5-methylthio-xylofuranose	(atypical)		1		1	CSC[C@H]1O[C@H](O)[C@H](O)[C@H]1O
->	ω-hydroxyxanthorin	(atypical)		1		1	OC1=CC(CO)=CC2=C1C(C3=C(C(O)=C(OC)C=C3O)C2=O)=O
Suc	nsu*		106	24	0220	1,4	*OCCCCO*/6=O/3=O	succinic acid (HOOC-CH2-CH2-COOH)
->	Suc		85	73	adda	1	[C](=O)(O)[CH2][CH2][C](=O)(O)