CSDB monomer namespace

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

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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)
1,3dgroTet-ol	tet	ol	0	0	m2dh3122	1,3-dideoxy-glycero-tetritol
no configuration variants are populated					dodo (acyclic)
1,4dxylHex	hex	ald	30	30	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
1,5anhGlc-ol	hex	ol	2	2	h2122h_1-5211112	1,5-anhydroglucitol (= 1dGlcp in pyranose form)
D-1,5anhGlc-ol			2	2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH2]1   xoooxo
1,5daraHex-ol	hex	ol	1	1	m122dh311122	1,5-dideoxy-arabinohexitol
L-1,5daraHex-ol			1	1	[CH2](O)[CH2][C@H](O)[C@H](O)[C@@H](O)[CH3]   dooodo
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	7	7	?2122h_1-6_2*N_3*OC^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
1,6dFru	hex	ket	8	7	m?122m301113	1,6-dideoxy-fructose (1,6-dideoxy-arabino-hex-2-ulose)
b-D-1,6dFruf			8	7	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@](O)1[CH3]   dooodd
1,6dGul	hex	ald	3	3	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
10b1C19	mva	lip	14	13	*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	8	8	*1OCCCCCCCCCCC^XC/5O*3/3=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	12	12	*1OCCCCCCCCCCCCC^XCCCCCCCCC/15O*3/3=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	19	19	*1OCCCCCCCCCCCCCCC^XCO*16/17O*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
15HOC16={?,?}	nsu	lip	1	1	@C16{=,=}0?????????????13	15-hydroxy-hexadecadienoic acid
?-15HOC16={?,?}			1	1	a?????????????od
15HOC16={?}	nsu	lip	1	1	@C16{=}0?????????????13	15-hydroxy-hexadecenoic acid
?-15HOC16={?}			1	1	a?????????????od
15HOPam	nsu	lip	13	13	*1OCCCCCCCCCCCCCCCC/17O*15/3=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
16HOPam	nsu*	lip	6	6	*1OCCCCCCCCCCCCCCCCO*16/3=O0222222222222222	16-hydroxy-hexadecanoic acid
16HOPam			6	6	[CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   addddddddddddddo
16HOPhyt	nsu*	alk	6	3	*1OCCC^XCCCC^XCCCC^XCCCC^XC/5C/9C/13C/17C/18O*1622122212221222123333	3,7,11,15-tetramethyl-hexadecan-1,16-diol
16HOPhyt			6	3	[CH2](O)[CH]([CH3])[CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH]([CH3])[CH2][CH2](O)   oddddddddddddddodddd
17HOBeh	nsu	lip	10	10	*1OCCCCCCCCCCCCCCCCC^XCCCCC/15O*3/3=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	4	@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)
17HOC18={c9,c12,c15}	mva	lip	3	3	*OCCCCCCCCC=^ZCCC=^ZCCC=^ZCCC/19O*17/3=O022222221121121113	17-hydroxy-9Z,12Z,15Z-octadecatrienoic acid
?-17HOC18={c9,c12,c15}			3	3	[CH3][CH](O)[CH]=[CH][CH2][CH]=[CH][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddddDDdDDdDDod
17HOLin	mva	lip	14	14	*OCCCCCCCCC=^ZCCC=^ZCCCCCC/19O*17/3=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	125	125	*1OCCCCCCCCC=^ZCCCCCCCC^XC/19O*17/3=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	26	*1OCCCCCCCCCCCCCCCC^XCC/19O*17/3=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	29	20	*1OCCCCCCCCC=^ZCCCCCCCCC/20O*18/3=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	3	3	*1OCCCCCCCCCCCCCCCCCC/20O*18/3=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
1dAll	hex	ald	24	24	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
1dAll5NA	hex	ald	2	2	d2222A_5*N211110	5-amino-1,5-dideoxy-alluronic acid
b-D-1dAllf5NA			2	2	O[C@@H]1O[C@H]([C@H](N)[C](=O)O)[C@@H](O)[C@H]1O   doodna
1dAlt-ol	hex	ol	5	5	m1222h311112	1-deoxyaltritol
L-1dAlt-ol			5	5	[CH2](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH3]   dooooo
1dAra	pen	ald	13	13	d122h21112	1-deoxy-arabinose
a-L-1dArap b-L-1dArap			9 4	9 4	[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1   doood [CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1   doood
1dEry-ol	tet	ol	25	25	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
1dEry3N-ol	tet	ol	1	1	m22h_3*N3112	3-amino-1,3-dideoxyerythritol
D-1dEry3N-ol			1	1	[CH2](O)[C@@H](N)[C@@H](O)[CH3]   dono
1dGal	hex	ald	9	9	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	209	195	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	28	28	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	2	2	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
1dRib	pen	ald	1	1	d222h21112	1-deoxy-ribose
b-D-1dRibf			1	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1   ooodo
1dThre-ol	tet	ol	2	2	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)
1dXyl	pen	ald	6	6	d212h21112	1-deoxy-xylose
b-D-1dXylp			6	6	[CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1   ooood
2,15,16HOPam	nsu	lip	37	37	*1OCC^XCCCCCCCCCCCCC^XCO*16/17O*15/4O*2/3=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
2,3HOBz	nsu*		21	16	*7OC(CC^ZCC^ZCC^Z$4)/6O*3/5O*2/3=O0001110	2,3-dihydroxybenzoic acid
2,3HOBz			21	16	[CH]1=[CH][CH]=[C](O)[C](O)=[C]1[C](=O)O   DOODDDa
2,3HOiMyr	nsu	lip	2	1	*1OCC^XC^XCCCCCCCCCC/14C/5O*3/4O*2/3=O01122222222133	2,3-dihydroxy-iso-tetradecanoic acid
?-2,3HOiMyr			2	1	[CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH](O)[C](=O)O   aooddddddddddd
2,4HO3,3,4MePro-5-oxo	nsu		4	4	AxCXA-2x_2-5*N*_3*C_3*C_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
2,4HOBut	nsu	lip	179	78	*1OCC^XCCO*4/4O*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
2,5anhMan	hex	ald	33	33	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
2,5anhMan-ol	hex	ol	28	28	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
2,5anhTal	hex	ald	13	13	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
2,5anhTal-ol	hex	ol	4	4	h1112h_2-5211112	2,5-anhydrotalitol
D-2,5anhTal-ol			4	4	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H]1[CH2](O)   oxooxo
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)
2,6dlyxHex	hex	ald	51	46	?d112m121113	2,6-dideoxy-lyxo-hexose (2d-Fuc = 2d6d-Tal), D-form: oliose, 3OMe-derivative = diginose
b-D-2,6dlyxHexp a-L-2,6dlyxHexp			29 22	29 17	[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
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)
2,7anhKdo	oct*	ket	9	9	A?d1122h_2-700211112	2,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
?-2,7anhKdo? a-2,7anhKdof a-2,7anhKdo?			5 3 1	5 3 1	2 variants possible; use an icon →   axdo??xo [CH2](O)[C@@H](O2)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C@@]21[C](=O)(O)   axdodoxo 2 variants possible; use an icon →   axdo??xo
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)
2,7anhmanOct-onic	oct	opn	0	0	Axx1122h_2-701111112	2,7-anhydro-manno-octonic acid
no configuration variants are populated					axooooxo (acyclic)
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)
27HOMon	nsu	lip	88	80	*1OCCCCCCCCCCCCCCCCCCCCCCCCCCC^XC/29O*27/3=O0222222222222222222222222213	27-hydroxy-octacosanoic acid
?-27HOMon			88	80	[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	7	7	*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
2b14b1C22={2}	mva	lip	1	1	*OCC=^XCC^XCCCCCCCCCCCCCCCC/6C/4C/3=O0011222222222222222333	2,4-dimethyl-eicos-2-enoic acid
?-2b14b1C22={2}			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH]=[C]([CH3])[C](=O)O   aDDddddddddddddddddddd
2b14b1C22={t2}	mva	lip	1	1	*OCC=^ECC^XCCCCCCCCCCCCCCCC/6C/4C/3=O0011222222222222222333	2,4-dimethyl-eicos-2E-enoic acid
S-2b14b1C22={t2}			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H]([CH3])/[CH]=[C]([CH3])/[C](=O)O   aDDddddddddddddddddddd
2b14b1Pam	mva*	lip	12	5	*OCC^XCC^XCCCCCCCCCC/6C/4C/3=O0121222222222333	2,4-dimethyl-tetradecanoic acid
2b14b1Pam			12	5	[CH3][CH2][CH2][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH]([CH3])[C](=O)O   addddddddddddddd
2daraHex	hex	ald	4	4	?d122h121112	2-deoxy-arabino-hexose (2d-Glc, 2d-Man)
b-D-2daraHexp a-D-2daraHexp			2 2	2 2	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1   odoodo [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@@H](O)1   odoodo
2daraHexA	hex	ald	8	8	?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
2dmyoIno3N	nsu	ino	13	13	1d1212_3*N121111	2,3-dideoxy-3-amino-myo-inositol
D-2dmyoIno3N ?-2dmyoIno3N			8 5	8 5	[C@@H](O)1[C@@H](O)[C@H](O)[C@@H](N)[CH2][C@@H](O)1   odnooo 2 variants possible; use an icon →   odnooo
2dRib	pen	ald	2	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
2HOAch	nsu	lip	8	8	*1OCC^XCCCCCCCCCCCCCCCCCC/4O*3/3=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
2HOaiHxo	nsu	lip	3	3	*1OCC^XC^XCC/5C/4O*2/3=O011233	2-hydroxy-3-methyl-pentanoic acid
?-2HOaiHxo			3	3	[CH3][CH2][CH]([CH3])[CH](O)[C](=O)O   adoddd
2HOBeh	nsu	lip	33	33	*1OCC^XCCCCCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222222223	2-hydroxy-docosanoic acid
?-2HOBeh R-2HOBeh			28 5	28 5	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O   aodddddddddddddddddddd [CH3][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   aodddddddddddddddddddd
2HOBut	nsu	lip	4	4	*1OCC^XCC/4O*2/3=O0123	2-hydroxybutanoic acid
S-2HOBut			4	4	[CH3][CH2][C@H](O)[C](=O)O   aodd
2HOC13	nsu	lip	4	4	*1OCC^XCCCCCCCCCCC/4O*3/3=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	8	8	*1OCC^XCCCCCCCCCCCCC/4O*3/3=O012222222222223	2-hydroxy-pentadecanoic acid
R-2HOC15 ?-2HOC15			7 1	7 1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O   aoddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O   aoddddddddddddd
2HOC16={t3}	nsu	lip	21	21	*1OC^XCC=^ECCCCCCCCCCCCC/4O*2/3=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	55	55	*1OCC^XC=^ECCCCCCCCCCCCCCC/4O*2/3=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
2HOC25	nsu	lip	4	4	*1OCC^XCCCCCCCCCCCCCCCCCCCCCCC/4O*3/3=O0122222222222222222222223	2-hydroxy-pentacosanoic acid
?-2HOC25			4	4	[CH3][CH2][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   aoddddddddddddddddddddddd
2HOCrt	nsu	lip	20	19	*1OCC^XCCCCCCCCCCCCCCCCCCCCCCCC/4O*3/3=O01222222222222222222222223	2-hydroxy-hexacosanoic acid
?-2HOCrt			20	19	[CH3][CH2][CH2][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   aodddddddddddddddddddddddd
2HOGlt	nsu		5	5	*1OCC^XCCCO*5/7=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
2HOLau	nsu	lip	87	73	*1OCC^XCCCCCCCCCC/4O*2/3=O012222222223	2-hydroxy-dodecanoic acid
?-2HOLau S-2HOLau R-2HOLau			68 17 2	61 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	123	123	*1OCC^XCCCCCCCCCCCCCCCCCCCCCC/4O*2/3=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	7	7	*1OCC^XCCCCCCCCCCCCCCC/4O*3/3=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	62	62	*1OCC^XCCCCCCCCCCCC/4O*2/3=O01222222222223	2-hydroxy-tetradecanoic acid
?-2HOMyr S-2HOMyr R-2HOMyr			45 13 4	45 13 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	96	96	*1OCC^XCCCCCCCCCCCCCC/4O*2/3=O0122222222222223	2-hydroxy-hexadecanoic acid
?-2HOPam R-2HOPam S-2HOPam			51 43 2	51 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	97	97	*1OCC^XCCCCCCCCCCCCCCCC/4O*2/3=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
2HOSuc	nsu		26	25	*1OCC^XCCO*4/6=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*		8	8	*7OC(CC^ECC^ZCC^Z$4)/5N*2/3=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*		199	199	*8OCC(CC^ECC^ECC^Z$4$5)/8O*4/7O*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		3	3	AxXxA_2-5*N*/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
3,4HOBut	nsu	lip	12	12	*1OCCC^XCO*4/5O*3/3=O0212	3,4-dihydroxybutanoic acid
?-3,4HOBut S-3,4HOBut R-3,4HOBut			10 1 1	10 1 1	[CH2](O)[CH](O)[CH2][C](=O)O   adoo [CH2](O)[C@H](O)[CH2][C](=O)O   adoo [CH2](O)[C@@H](O)[CH2][C](=O)O   adoo
3,4HOiC15	nsu	lip	2	2	*1OCCC^XC^XCCCCCCCCCC/15C/6O*4/5O*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	9	9	*1OCCC^XCC^XC/7O*5/5O*3/3=O021213	3,5-dihydroxyhexanoic acid
3,5HOHex			9	9	[CH3][CH](O)[CH2][CH](O)[CH2][C](=O)O   adodod
3,6anhGal	hex	ald	23	13	?2112h_3-6111112	3,6-anhydro-galactose
a-L-3,6anhGalp b-D-3,6anhGalp ?-L-3,6anhGalp			20 2 1	10 2 1	O[C@H]1[C@H]([C@H]2[C@@H]([C@H]([CH2]O2)O1)O)O   ooxodx O[C@H]1[C@@H]([C@@H]2[C@H]([C@@H]([CH2]O2)O1)O)O   ooxodx O[CH]1[C@H]([C@H]2[C@@H]([C@H]([CH2]O2)O1)O)O   ooxodx
3,6dthrHex-4-ulo	hex	ald	2	2	?1dU2m112013	3,6-dideoxy-threo-hexos-4-ulose
a-D-3,6dthrHexp-4-ulo			2	2	[CH3][C@@H](O1)[C](=O)[CH2][C@H](O)[C@@H](O)1   oodxdd
3,7dlyxOct-ulosonic	oct	ket	1	1	A?d112dh00211122	3,7-dideoxy-lyxo-oct-2-ulosonic acid
a-D-3,7dlyxOct?-ulosonic			1	1	2 variants possible; use an icon →   a?do??do
3daraHep-ulosonic	hep	ket	1	1	A?d122h0021112	3-deoxy-arabino-hept-2-ulosonic acid
a-D-3daraHepp-ulosonic			1	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O)   aodoodo
3deryPen	pen	ald	9	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
3dgroPen-ulosonic	pen	ket	1	1	A?d2h00212	3-deoxy-glycero-pent-2-ulosonic acid
?-L-3dgroPen?-ulosonic			1	1	[CH2](O1)[C@H](O)[CH2][C](O)1[C](=O)O   a?do?
3dgroTet	tet	ald	0	0	o2dh1122	3-deoxy-glycero-tetrose
no configuration variants are populated					Aodo (acyclic), oodd (furanose)
3dgroTet-ol	tet	ol	0	0	h2dh2122	3-deoxy-glycero-tetritol
no configuration variants are populated					oodo (acyclic)
3dlyxHep-ulosaric	hep	ket	40	32	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
3dlyxHex	hex	ald	1	1	?1d12h112112	3-deoxy-lyxo-hexose
a-D-3dlyxHexp			1	1	[CH2](O)[C@@H](O1)[C@H](O)[CH2][C@H](O)[C@@H](O)1   oododo
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??
3dthrPen	pen	ald	7	7	?1d2h11212	3-deoxy-threo-pentose
b-D-3dthrPenp			7	7	[CH2](O1)[C@@H](O)[CH2][C@H](O)[C@H](O)1   oodod
3dxylHex	hex	ald	4	4	?2d12h112112	3-deoxy-xylo-hexose
a-D-3dxylHexp			4	4	[CH2](O)[C@@H](O1)[C@H](O)[CH2][C@@H](O)[C@@H](O)1   oododo
3HO2,3MePro-5-oxo	nsu		16	16	AaXdA-2x_2-5*N*_2*C_3*C0002033	3-hydroxy-2,3-dimethyl-5-oxoproline (RR, SS, RS, SR = unknown)
?-3HO2,3MePro-5-oxo			16	16	[C](=O)1[CH2][C]([CH3])(O)[C]([CH3])(N1)[C](=O)(O)   anodNdd
3HO3MeGlt	nsu		46	46	*1OCCC^XCCO*5/7=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
3HOAch	nsu	lip	49	26	*1OCCC^XCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222223	3-hydroxy-icosanoic acid
?-3HOAch R-3HOAch			43 6	23 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	1	1	*OCC^XCC/3=O/4C/5O*301133	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	6	3	*1OCCC^XCCCCCCCCCCCCCCCCCCC/5O*3/3=O0212222222222222222223	3-hydroxy-docosanoic acid
?-3HOBeh			6	3	[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	514	451	*1OCCC^XC/5O*3/3=O0213	3-hydroxybutanoic acid
?-3HOBut R-3HOBut S-3HOBut			203 172 139	154 168 129	[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
3HOBz	nsu*		4	4	*7OC(CC^ECC^ZCC^Z$4)/6O*3/3=O0101110	3-hydroxybenzoic acid (m-hydroxybenzoic acid)
3HOBz			4	4	[CH]1=[CH][CH]=[C](O)[CH]=[C]1[C](=O)O   DDODDDa
3HOC13	nsu	lip	30	10	*1OCCC^XCCCCCCCCCC/5O*3/3=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	10	10	*1OCCC^XC=^XCCCCCCCCCC/5O*3/3=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	11	11	*1OCCC^XCCCCCCCCCCCC/5O*3/3=O021222222222223	3-hydroxy-pentadecanoic acid
R-3HOC15 ?-3HOC15			8 3	8 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
3HOC32={19}	nsu	lip	1	1	*1OCCC^XCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222211222222222223	3-hydroxy-dotriacont-19-enoic acid
?-3HOC32={19}			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O   adodddddddddddddddDDdddddddddddd
3HOCrt	nsu	lip	9	9	*1OCCC^XCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222222222223	3-hydroxy-hexacosanoic acid
?-3HOCrt			9	9	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O   adoddddddddddddddddddddddd
3HODco	nsu	lip	347	186	*1OCCC^XCCCCCCC/5O*3/3=O0212222223	3-hydroxy-decanoic acid
?-3HODco R-3HODco			234 113	135 51	[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	24	24	*1OCCC^XCCC/5O*3/3=O021223	3-hydroxy-hexanoic acid
?-3HOHxo			24	24	[CH3][CH2][CH2][CH](O)[CH2][C](=O)O   adoddd
3HOiC13	nsu	lip	26	14	*1OCCC^XCCCCCCCCC/13C/5O*3/3=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	27	24	*1OCCC^XCCCCCCCCCCC/15C/5O*3/3=O021222222222133	3-hydroxy-iso-pentadecanoic acid
R-3HOiC15 ?-3HOiC15			15 12	13 11	[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	81	45	*1OCCC^XCCCCCCCCCCCCCC/17C/5O*3/3=O02122222222222133	3-hydroxy-iso-heptadecanoic acid
?-3HOiMar R-3HOiMar			42 39	23 22	[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	12	6	*1OCCC^XCCCCCCCCCC/14C/5O*3/3=O02122222222133	3-hydroxy-iso-tetradecanoic acid
?-3HOiMyr R-3HOiMyr			10 2	5 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	23	23	*1OCCCC/5C/5O*3/3=O02033	3-hydroxy-isovaleric acid
3HOiVl			23	23	[CH3][C]([CH3])(O)[CH2][C](=O)O   adodd
3HOLau	nsu	lip	601	265	*1OCCC^XCCCCCCCCC/5O*3/3=O021222222223	3-hydroxy-dodecanoic acid
?-3HOLau R-3HOLau			360 241	165 100	[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	12	10	*1OCCC^XCCCCCCCCCCCCCC/5O*3/3=O02122222222222223	3-hydroxy-heptadecanoic acid
?-3HOMar R-3HOMar			11 1	9 1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O   adodddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O   adodddddddddddddd
3HOMon	nsu	lip	10	10	*1OCCC^XCCCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O0212222222222222222222222223	3-hydroxy-octacosanoic acid
?-3HOMon			10	10	[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][CH](O)[CH2][C](=O)O   adoddddddddddddddddddddddddd
3HOMyr	nsu	lip	2447	834	*1OCCC^XCCCCCCCCCCC/5O*3/3=O02122222222223	3-hydroxy-tetradecanoic acid
?-3HOMyr R-3HOMyr			1613 834	547 287	[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	23	23	*1OCCC^XCCCCC/5O*3/3=O02122223	3-hydroxy-octanoic acid
?-3HOOco			23	23	[CH3][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O   adoddddd
3HOPam	nsu	lip	326	203	*1OCCC^XCCCCCCCCCCCCC/5O*3/3=O0212222222222223	3-hydroxy-hexadecanoic acid
?-3HOPam R-3HOPam			210 116	131 72	[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	12	10	*1OCCCO*3/3=O022	beta-lactic acid (3-hydroxypropanoic acid)
3HOPro			12	10	[CH2](O)[CH2][C](=O)O   ado
3HOSte	nsu	lip	249	124	*1OCCC^XCCCCCCCCCCCCCCC/5O*3/3=O021222222222222223	3-hydroxy-stearic acid
?-3HOSte R-3HOSte			189 60	97 27	[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	30	23	*OCCCCCCCCCCCCCC/5=O/3=O02022222222223	3-oxo-tetradecanoic acid
3oxoMyr			30	23	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)[CH2][C](=O)O   addddddddddddd
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)
4,6dlyxHex	hex	ald	1	1	?11d2m111213	4,6-dideoxy-lyxo-hexose
a-L-4,6dlyxHexp			1	1	[CH3][C@H](O1)[CH2][C@@H](O)[C@@H](O)[C@H](O)1   oooddd
4,6dxylHex	hex	ald	4	4	?21d2m111213	4,6-dideoxy-xylo-hexose (3-O-methyl derivative = halcose)
b-D-4,6dxylHexp a-D-4,6dxylHexp			3 1	3 1	[CH3][C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@H](O)1   oooddd [CH3][C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@@H](O)1   oooddd
4,6dxylHex3N	hex	ald	5	5	?21d2m_3*N111213	3-amino-3,4,6-trideoxy-xylo-hexose
b-D-4,6dxylHexp3N ?-D-4,6dxylHex?3N			4 1	4 1	[CH3][C@@H](O1)[CH2][C@H](N)[C@@H](O)[C@H](O)1   oonddd [CH3][C@@H](O1)[CH2][C@H](N)[C@@H](O)[CH](O)1   ?ond?d
4,7anhKdo	oct*	ket	11	11	A?d1122h_4-700211112	4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
?-4,7anhKdo? 4,7anhKdoa a-4,7anhKdo?			6 4 1	6 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	6	6	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
4daraHex	hex	ald	16	11	?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
4dEry-ol	tet	ol	6	6	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
4deryHex4en	hex	ald	1	1	?22eEh111102	4-deoxy-erythro-hex-4-enose
a-L-4deryHexp4en			1	1	[CH2](O)/[C](O1)=[CH][C@H](O)[C@H](O)[C@H](O)1   oooDDo
4deryHex4enA	hex	ald	12	12	?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	5	5	?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
4dlyxHex	hex	ald	4	4	?11d2h111212	4-deoxy-lyxo-hexose
b-D-4dlyxHexp			4	4	[CH2](O)[C@@H](O1)[CH2][C@H](O)[C@H](O)[C@H](O)1   oooddo
4dThre-ol	tet	ol	5	5	h12m2113	4-deoxythreitol (alias for 1-deoxytreitol ?)
L-4dThre-ol			5	5	[CH3][C@H](O)[C@@H](O)[CH2](O)   dooo
4dthrHex4en	hex	ald	4	4	?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	91	89	?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	18	18	?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	8	8	?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
4eLeg	non*	ket	15	15	A?d11122m_5*N_7*N002111113	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
4HOaiHxo	nsu	lip	0	0	*1OCCC^XC^XC/6O*4/5C/3=O021133	4-hydroxy-3-methyl-pentanoic acid
no configuration variants are populated					adoddd (acyclic)
4HOBut	nsu*	lip	37	37	*1OCCCCO*4/3=O0222	4-hydroxybutanoic acid
4HOBut			37	37	[CH2](O)[CH2][CH2][C](=O)O   addo
4HOBz	nsu*		46	40	*7OC(CC^ZCC^ECC^Z$4)/7O*4/3=O0110110	4-hydroxybenzoic acid (p-hydroxybenzoic)
4HOBz			46	40	[CH]1=[CH][C](O)=[CH][CH]=[C]1[C](=O)O   DDDODDa
4NBz	nsu*		10	10	*7OC(CC^ZCC^ECC^Z$4)/7N*4/3=O0110110	4-aminobenzoic acid
4NBz			10	10	[CH]1=[CH][C](N)=[CH][CH]=[C]1[C](=O)O   DDDNDDa
5HOiHxo	nsu	lip	3	3	*1OCC^XCCC/7O*5/5C/3=O022123	5-hydroxy-isohexanoic acid
?-5HOiHxo			3	3	[CH2](O)[CH]([CH3])[CH2][CH2][C](=O)O   adddod
6dAll	hex	ald	40	40	?2222m111113	6-deoxyallose
b-D-6dAllp a-D-6dAllp ?-D-6dAllp			33 5 2	33 5 2	[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
6dAll1N	hex	ald	1	1	?2222m_1*N111113	1-amino-6-deoxyallose
b-L-6dAllp1N			1	1	[CH3][C@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@H](N)1   nooodd
6dallHep	hep	ald	0	0	?2222dh1111122	6-deoxy-allo-heptose
no configuration variants are populated					Aoooodo (acyclic), ooooddo (pyranose), ooododo (furanose)
6dAlt	hex	ald	79	59	?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	4	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	12	12	?1222m_2*N_4*N111113	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	16	15	?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
6daraHex-4-ulo	hex	ald	2	2	?12U2m111013	6-deoxy-arabino-hexos-4-ulose
?-L-6daraHexp-4-ulo b-L-6daraHexp-4-ulo			1 1	1 1	[CH3][C@H](O1)[C](=O)[C@H](O)[C@@H](O)[CH](O)1   oooxdd [CH3][C@H](O1)[C](=O)[C@H](O)[C@@H](O)[C@@H](O)1   oooxdd
6daraHexN-4-ulo	hex	ald	2	2	?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
6dFru	hex	ket	3	3	h?122m201113	6-deoxy-fructose (6-deoxy-arabino-hex-2-ulose)
b-D-6dFruf			3	3	[CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@](O)1[CH2](O)   oooodd
6dgalHep	hep	ald	5	4	?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)
6dGul	hex	ald	18	16	?2212m111113	6-deoxygulose
b-D-6dGulp ?-?-6dGulp b-D-6dGul? ?-D-6dGulp a-D-6dGulp			9 3 3 2 1	8 2 3 2 1	[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 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 [CH3][C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1   oooodd
6dGul3CMe	hep	ald	1	1	?2612m_3*C1101133	6-deoxy-3-C-methylgulose (virenose)
?-D-6dGul?3CMe			1	1	3 variants possible; use an icon →   ?oo??dd
6dgulHep	hep	ald	14	11	?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	8	7	?1212dh1111122	6-deoxy-ido-heptose
b-D-6didoHepp a-D-6didoHepp			7 1	6 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
6dlyxHep-4-ulo	hep	ald	1	1	?11U2dh1110122	6-deoxy-lyxo-heptos-4-ulose
a-D-6dlyxHepp-4-ulo			1	1	[CH2](O)[CH2][C@@H](O1)[C](=O)[C@H](O)[C@H](O)[C@@H](O)1   oooxddo
6dlyxHex-4-ulo	hex	ald	5	5	?11U2m111013	6-deoxy-lyxo-hexos-4-ulose
a-D-6dlyxHexp-4-ulo b-L-6dlyxHexp-4-ulo a-L-6dlyxHexp-4-ulo			3 1 1	3 1 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)[C@@H](O)1   oooxdd [CH3][C@H](O1)[C](=O)[C@@H](O)[C@@H](O)[C@H](O)1   oooxdd
6dlyxHexN-4-ulo	hex	ald	1	1	?11U2m_2*N111013	2-amino-2,6-dideoxy-lyxo-hexos-4-ulose
b-L-6dlyxHexpN-4-ulo			1	1	[CH3][C@H](O1)[C](=O)[C@@H](O)[C@@H](N)[C@@H](O)1   onoxdd
6dmanHep	hep	ald	69	60	?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	11	11	?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	473	376	?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?			362 50 14 13 10 7 6 5 3 2 1	286 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
6dTal-ol	hex	ol	4	4	h1112m211113	6-deoxytalitol
?-6dTal-ol			4	4	2 variants possible; use an icon →   oooood
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	18	18	?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
6dtalHep	hep	ald	2	2	?1112dh1111122	6-deoxy-talo-heptose
b-D-6dtalHepp			2	2	[CH2](O)[CH2][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)1   ooooddo
6dxylHex-3-ulo	hex	ald	2	2	?2U12m110113	6-deoxy-xylo-hexos-3-ulose
a-D-6dxylHexp-3-ulo			2	2	[CH3][C@@H](O1)[C@H](O)[C](=O)[C@@H](O)[C@@H](O)1   ooxodd
6dxylHex-4-ulo	hex	ald	4	4	?21U2m111013	6-deoxy-xylo-hexos-4-ulose
a-D-6dxylHexp-4-ulo ?-D-6dxylHexp-4-ulo b-D-6dxylHexp-4-ulo			2 1 1	2 1 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 [CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](O)[C@H](O)1   oooxdd
6dxylHexN-4-ulo	hex	ald	32	32	?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
8eAci	non*	ket	8	8	A?d21112m_5*N_7*N002111113	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	68	67	A?d21121m_5*N_7*N002111113	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	4	4	A?d22112m_5*N_7*N002111113	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
8HONno	nsu	lip	1	1	*1OCCCCCCCCC/10O*8/3=O022222213	8-hydroxy-nonanoic acid
?-8HONno			1	1	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   addddddod
9,10,17HOSte	nsu	lip	1	1	*1OCCCCCCCC^XC^XCCCCCCC^XCC/11O*9/12O*10/19O*17/3=O022222221122222213	9,10,17-trihydroxy-stearic acid
?-9,10,17HOSte			1	1	[CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddddooddddddod
9b1Ach	mva	lip	2	2	*OCCCCCCCCC^XCCCCCCCCCC/11C/3=O02222222122222222233	9-methyl-nonadecanoic acid
?-9b1Ach			2	2	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   addddddddddddddddddd
9b1SphdC19	nsu*	sph	32	31	*1OCCCC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*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
9HObDco	nsu	lip	11	11	*1OCCCCCCCC^XC/11O*9/?C0????????2	branched 9-hydroxy-decanoic acid
?-9HObDco			11	11	adddddddod
9HONno	nsu*	lip	3	3	*1OCCCCCCCCC/11O*9/3=O022222222	9-hydroxy-nonanoic acid
9HONno			3	3	[CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddddo
Abe	hex*	ald	180	159	?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
Abu	nsu	pep	1	1	A2dm_2*N0123	aminobutyric acid
L-Abu			1	1	[CH3][CH2][C@H](N)[C](=O)O   andd
Ac	mva*		29069	13783	*OCC/3=O03	acetic acid
Ac			29069	13783	[CH3][C](=O)O   ad
AceA	hex*	ald	9	9	?161m_3*CO/2=O110130	3C-carboxy-5-deoxy-L-xylofuranose (aceric acid)
b-AcefA ?-AcefA			6 3	6 3	[CH3][C@H](O1)[C@@]([C](=O)O)(O)[C@H](O)[C@@H](O)1   ooodda [CH3][C@H](O1)[C@@]([C](=O)O)(O)[C@H](O)[CH](O)1   ooodda
Ach	mva*	lip	17	16	*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
Aci	non*	ket	10	10	A?d21111m_5*N_7*N002111113	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
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)
Aep	nsu*		38	32	*1OPCCN*3/3O/3=O022	2-amino-ethylphosphonic acid
Aep			38	32	[CH2](N)[CH2][1P](=O)(O)O   adn
Aib	nsu*	pep	5	2	Admm_2*N0033	aminoisobutyric acid
Aib			5	2	[CH3][C]([CH3])(N)[C](=O)O   andd
aiC15	mva	lip	15	10	*OCCCCCCCCCCCC^XCC/14C/3=O022222222221233	anteiso-pentadecanoic acid
?-aiC15			15	10	[CH3][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddddddddddd
aiMar	mva	lip	13	7	*OCCCCCCCCCCCCCCC^XCC/16C/3=O02222222222221233	anteiso-heptadecanoic acid
?-aiMar			13	7	[CH3][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddddddddddddd
aiPam	mva	lip	1	1	*OCCCCCCCCCCCCC^XCC/15C/3=O0222222222221233	anteisopalmitic acid
?-aiPam			1	1	[CH3][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   addddddddddddddd
aiVl	mva	lip	78	68	*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
Ala	nsu	pep	1123	798	A2m_2*N013	alanine
D-Ala L-Ala ?-Ala			460 439 224	270 391 137	[CH3][C@@H](N)[C](=O)O   and [CH3][C@H](N)[C](=O)O   and [CH3][CH](N)[C](=O)O   and
ALK	mva*	alk	86	78	@ALKYL	superclass: alcohol residue (alkyl)
ALK			86	78	<ANY>
All	hex	ald	17	16	?2222h111112	allose
b-D-Allp a-L-Allp a-D-Allp b-?-Allp			12 2 2 1	12 1 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)[C@@H](O)1   oooodo 2 variants possible; use an icon →   oooodo
All-ol	hex	ol	0	0	h2222h211112	allitol
no configuration variants are populated					oooooo (acyclic)
All1N5NA	hex	ald	36	36	?2222A_1*N_5*N111110	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	9	7	?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_2*N_3*N111112	2,3-diamino-2,3-dideoxyallose
no configuration variants are populated					Annooo (acyclic), onnodo (pyranose), onndoo (furanose)
alloIno	nsu*	ino	0	0	112222111111	allo-inositol (cis-1,2-trans-3,4,5,6-cyclohexanehexol)
no configuration variants are populated					oooooo (acyclic)
Allyl	mva*		88	88	*OCC=C212	allyl alcohol
Allyl			88	88	[CH2]=[CH][CH2]O   oDD
aLnn	mva*	lip	20	13	*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
Alt	hex	ald	45	45	?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
Alt-ol	hex	ol	0	0	h1222h211112	altritol
no configuration variants are populated					oooooo (acyclic)
AltA	hex	ald	26	26	?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_2*N_3*N111112	2,3-diamino-2,3-dideoxyaltrose
no configuration variants are populated					Annooo (acyclic), onnodo (pyranose), onndoo (furanose)
AltNA	hex	ald	26	19	?1222A_2*N111110	2-amino-2-deoxyaltruronic acid
a-L-AltpNA b-L-AltpNA ?-L-AltpNA			24 1 1	17 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 [C](=O)(O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1   onooda
Am	mva*		233	217	*OCC/3=N13	acetimidic acid (HO-C(=NH)-CH3)
Am			233	217	[CH3][C](=N)O   ad
Ami	hex	ald	6	6	?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
Ang	mva*	lip	48	45	*OCC=^ZCC/4C/3=O00133	angelic acid ((Z)-2-methylbut-2-enoic acid)
Ang			48	45	[CH3]/[CH]=[C]([CH3])[C](=O)O   aDDdd
ANY	*		201	112		superclass: any residue
ANY			201	112	<ANY>
Api	pen	ald	295	282	?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
Api-ol	pen	ol	1	1	h26h_3*CO21022	apiol (3-C-(hydroxymethyl)-erythro-tetrol)
?-Api-ol			1	1	2 variants possible; use an icon →   ooooo
Apigenin	nsu*		130	130	@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
Ara	pen	ald	3832	2344	?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? b-?-Ara?			1169 896 763 251 114 106 101 68 45 44 43 41 37 29 28 26 24 17 11 5 4 4 2 2 1 1	1079 172 485 108 63 56 81 33 41 19 37 25 24 14 18 21 23 17 11 4 4 4 1 2 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?? 4 variants possible; use an icon →   ?oo??
Ara-ol	pen	ol	105	101	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
Ara1N	pen	ald	1	1	?122h_1*N11112	1-amino-1-deoxyarabinose
b-D-Araf1N			1	1	[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)1   noodo
Ara4N	pen	ald	545	421	?122h_4*N11112	4-amino-4-deoxyarabinose
b-L-Arap4N ?-L-Arap4N ?-?-Arap4N a-L-Arap4N b-L-Ara?4N b-D-Ara?4N ?-L-Ara?4N ?-?-Ara?4N a-L-Ara?4N			456 41 21 17 4 3 1 1 1	354 29 15 14 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 2 variants possible; use an icon →   ooond [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)[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?
Arg	nsu	pep	19	16	A2dddh_2*N_5*1NCN*2/3=N0122201	arginine
?-Arg L-Arg			16 3	13 3	[CH2](N[C](N)=[7NH])[CH2][CH2][CH](N)[C](=O)O   andddNN [CH2](N[C](N)=[7NH])[CH2][CH2][C@H](N)[C](=O)O   andddNN
Asc	hex*	ald	16	15	?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
Asn	nsu	pep	312	304	A2dA_2*N_4*N0120	asparagine
?-Asn L-Asn			213 99	212 92	[C](=O)(N)[CH2][CH](N)[C](=O)O   andN [C](=O)(N)[CH2][C@H](N)[C](=O)O   andN
Asp	nsu	pep	32	32	A2dA_2*N0120	aspartic acid
D-Asp ?-Asp L-Asp			17 10 5	17 10 5	[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	70	69	A22m_2*N0113	allothreonine (2S,3S)
D-aThr L-aThr ?-aThr			65 3 2	64 3 2	[CH3][C@@H](O)[C@@H](N)[C](=O)O   anod [CH3][C@H](O)[C@H](N)[C](=O)O   anod 2 variants possible; use an icon →   anod
Axe3CMe	hep*	ald	6	6	?d121m_3*C1201133	2,6-dideoxy-3C-methyl-L-xylo-hexose (axenose)
a-Axep3CMe			6	6	[CH3][C@H]1O[C@H](O)[CH2][C@]([CH3])(O)[C@H]1O   odooddd
Beh	mva*	lip	16	15	*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
Bn	mva*		45	45	*OC(CC^ZCC^ZCC^Z$4)0111112	benzoic alcohol
Bn			45	45	[CH]1=[CH][CH]=[CH][CH]=[C]1[CH2]O   DDDDDDo
Boi	hex	ald	12	12	?d212m121113	2,6-dideoxy-xylo-hexose (boivinose, 2d6d-Gul = 2d6d-Ido), 3OMe-derivative = sarmentose
b-D-Boip a-L-Boip			9 3	9 3	[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
bRes	nsu*		3	3	*7OC(CC^ECC^ECC^Z$4)/7O*4/5O*2/3=O0010110	2,4-dihydroxybenzoic acid (beta-resorcyclic acid)
bRes			3	3	[CH]1=[CH][C](O)=[CH][C](O)=[C]1[C](=O)O   DODODDa
Bu	mva*	alk	24	24	*OCCCC2223	butanol
Bu			24	24	[CH3][CH2][CH2][CH2]O   oddd
But	mva*	lip	38	38	*OCCCC/3=O0223	butyric acid
But			38	38	[CH3][CH2][CH2][C](=O)O   addd
Bz	mva*		191	163	*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
C10={2}	mva*	lip	2	2	*OC=^XCCCCCCCCCCC/3=O0112222223	dec-2-enoic acid
C10={2}			2	2	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][C](=O)O   aDDddddddd
C12={5}	mva*	lip	13	12	*OCCCCC=^XCCCCCCC/3=O022211222223	dodec-5-enoic acid
C12={5}			13	12	[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
C12={t6}	mva*	lip	3	3	*OCCCCCC=^ECCCCCC/3=O022221122223	dodec-6E-enoic acid
C12={t6}			3	3	[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	8	6	*OCCCCCCCCCCCCC/3=O0222222222223	tridecanoic acid
C13			8	6	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddddddddd
C14={5}	mva*	lip	3	3	*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	4	3	*OCCCCCC=^XCCCCCCCC/3=O02222112222223	tetradec-6-enoic acid
C14={6}			4	3	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O   addddDDddddddd
C14={7}	mva*	lip	13	12	*OCCCCCCC=^XCCCCCCC/3=O02222211222223	tetradec-7-enoic acid
C14={7}			13	12	[CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddDDdddddd
C14={8}	mva*	lip	2	2	*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={5}	mva*	lip	2	2	*OCCCCC=^XCCCCCCCCCC/3=O022211222222223	pentadec-5-enoic acid
C15={5}			2	2	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O   adddDDddddddddd
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	34	27	*OCCCCCCCCCCCCCCC/3=O022222222222223	pentadecanoic acid
C15			34	27	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddddddddddd
C16={11}	mva*	lip	6	6	*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={5}	mva*	lip	2	2	*OCCCCC=^XCCCCCCCCCCC/3=O0222112222222223	hexadec-5-enoic acid
C16={5}			2	2	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O   adddDDdddddddddd
C16={6}	mva*	lip	5	5	*OCCCCCC=^XCCCCCCCCCC/3=O0222211222222223	hexadec-6-enoic acid
C16={6}			5	5	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O   addddDDddddddddd
C16={?,?,?}	mva*	lip	3	3	@C16{=,=,=}0??????????????3	hexadecatrienoic acid
C16={?,?,?}			3	3	a???????????????
C16={?,?}	mva*	lip	17	15	@C16{=,=}0??????????????3	hexadecadienoic acid
C16={?,?}			17	15	a???????????????
C16={c7,c10,c13}	mva*	lip	2	2	*OCCCCCCC=^ZCCC=^ZCCC=^ZCCC/3=O0222221121121123	cis-7,10,13-hexadecatrienoic acid
C16={c7,c10,c13}			2	2	[CH3][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddDDdDDdDDdd
C16={t2,c9}	mva*	lip	7	7	*OCC=^ECCCCCCC=^ZCCCCCCC/3=O0112222211222223	trans-2-cis-9-hexadecadienoic acid
C16={t2,c9}			7	7	[CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C](=O)O   aDDdddddDDdddddd
C16={t2,t4,c9}	mva*	lip	2	2	*OCC=^ECC=^ECCCCC=^ZCCCCCCC/3=O0111122211222223	trans-2,4-cis-9-hexadecatrienoic acid
C16={t2,t4,c9}			2	2	[CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2]/[CH]=[CH]/[CH]=[CH]/[C](=O)O   aDDDDdddDDdddddd
C17={5}	mva*	lip	2	2	*OCCCCC=^XCCCCCCCCCCCC/3=O02221122222222223	heptadec-5-enoic acid
C17={5}			2	2	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O   adddDDddddddddddd
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={5}	mva*	lip	2	2	*OCCCCC=^XCCCCCCCCCCCCC/3=O022211222222222223	octadec-5-enoic acid
C18={5}			2	2	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O   adddDDdddddddddddd
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	1	1	@C18{=,=,=,=}0????????????????3	octadecatetraenoic acid
C18={?,?,?,?}			1	1	a?????????????????
C18={?}	mva*	lip	37	36	@C18{=}0????????????????3	octadecenoic acid
C18={?}			37	36	a?????????????????
C18={t2,t4,t6,c11}	mva*	lip	8	8	*OCC=^ECC=^ECC=^ECCCCC=^ZCCCCCCC/3=O/011111122211222223	2,4,6-trans-11-cis-octadecatetraenoic acid
C18={t2,t4,t6,c11}			8	8	[CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2]/[CH]=[CH]/[CH]=[CH]/[CH]=[CH]/[C](=O)O   aDDDDDDdddDDdddddd
C18={t5,t8,t11,t14}	mva*	lip	1	1	*OCCCCC=^ECCC=^ECCC=^ECCC=^ECCCC/3=O/022211211211211223	trans-5,8,11,14-octadecatetraenoic acid
C18={t5,t8,t11,t14}			1	1	[CH3][CH2][CH2]/[CH]=[CH]/[CH2]/[CH]=[CH]/[CH2]/[CH]=[CH]/[CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O   adddDDdDDdDDdDDddd
C18={t9}	mva*	lip	20	18	*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)
C19	mva*	lip	8	8	*OCCCCCCCCCCCCCCCCCCC/3=O0222222222222222223	nonadecanoic acid
C19			8	8	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddddddddddddddd
C19c{9,11}	mva*	lip	1	1	*OCCCCCCCCCCCCCCCCCC/12C$11/3=O0222222212122222223	9,11-cyclo-nonadecanoic acid
C19c{9,11}			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]1[CH2][CH]1[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddddddddddddddd
C23={c14}	mva*	lip	1	1	*OCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O02222222222221122222223	cis-14-tricosenoic acid
C23={c14}			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   addddddddddddDDdddddddd
C23	mva*	lip	1	1	*OCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222223	tricosanoic acid
C23			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddddddddddddddddddd
C25={c16}	mva*	lip	1	1	*OCCCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O0222222222222221122222223	cis-16-pentacosenoic acid
C25={c16}			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   addddddddddddddDDdddddddd
C	nsu*		41	7	*OCO*/3=O	carbonic acid
C			41	7	[C](O)(O)=O   a
Caf	nsu*		274	272	*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8O*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
Caryophyllose	dod*	ald	25	19	?2d21d222m_4*1C^RC/2O*2112012111313	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	26	6	?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
Catalpol	nsu*		82	81	@catalpol~1011111012	catalpol aglycon (as in Pubchem, hydroxy function at 1,6,10
Catalpol			82	81	O[C@H]1[C@H]2([C@@H]([CH]=[CH]O1)[C@@H]([C@H]3[C@@]2(O3)[CH2]O)O)   o.DDdoxxdo
Ccr	mva*	lip	9	9	*OCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222222223	carboceric acid (heptacosanoic acid)
Ccr			9	9	[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][C](=O)O   adddddddddddddddddddddddddd
cdPam	mva*	lip	16	15	*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	268	268	@CERAMIDE	superclass: ceramide (N-acylated sphyngoid)
CER			268	268	<ANY>
Ceroplastic	mva*	lip	0	0	*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222222222222223	ceroplastic acid (pentatriacontanoic acid)
no configuration variants are populated					adddddddddddddddddddddddddddddddddd (acyclic)
CetEtN	nsu		6	6	*1OCCNC^XCO*3/7=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
chiroIno	nsu	ino	12	12	112122111111	chyro-inositol (D-form: cis-1,2,4-trans-3,5,6-cyclohexanehexol)
D-chiroIno ?-chiroIno			11 1	11 1	[C@@H](O)1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1   oooooo 2 variants possible; use an icon →   oooooo
Cho	nsu*		357	279	*OCCNC/5C/5C22?	choline (2-(trimethylammonio)ethanol)
Cho			357	279	C[N+](C)(C)[CH2][CH2]O   odx
Cin	nsu*		95	92	*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
cis-Sph	nsu*	sph	0	0	*1OCC^SC^RC=^ZCCCCCCCCCC/5O*3/4N*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/5O*3/4N*22111122222222223	cis-hexadecasphingosine
no configuration variants are populated					onoDDddddddddddd (acyclic)
cis-SphC18	nsu*	sph	1	1	*1OCC^SC^RC=^ZCCCCCCCCCCCCCC/5O*3/4N*2211112222222222223	cis-sphingosine
cis-SphC18			1	1	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][C@@H](O)[C@@H](N)[CH2]O   onoDDddddddddddddd
cis-SphC20	nsu*	sph	0	0	*1OCC^SC^RC=^ZCCCCCCCCCCCCCCCC/5O*3/4N*221111222222222222223	cis-icosasphingosine
no configuration variants are populated					onoDDddddddddddddddd (acyclic)
cis-SphC22	nsu*	sph	0	0	*1OCC^SC^RC=^ZCCCCCCCCCCCCCCCCCC/5O*3/4N*22111122222222222222223	cis-sphingosine C22
no configuration variants are populated					onoDDddddddddddddddddd (acyclic)
cisIno	nsu*	ino	0	0	111111111111	cis-inositol (cis-1,2,3,4,5,6-cyclohexanehexol)
no configuration variants are populated					oooooo (acyclic)
Cm	mva*		206	178	*NCO/3=O	carbamic acid (H2N-COOH) (WURCS is given for N-linked Cm)
Cm			206	178	[C](=O)(O)N   ?
Col	hex*	ald	152	105	?1d21m112113	3,6-dideoxy-L-xylo-hexose (colitose), 3dFuc=3,6dGul
a-Colp a-Col? b-Colp ?-Colp			139 10 2 1	92 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
Crt	mva*	lip	77	74	*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	23	23	*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
Cyanidin	nsu*		108	108	@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
Cys	nsu	pep	17	17	A2h_2*N_3*S012	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
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)
Dau3N	hex*	ald	3	3	?22d1m_3*N121113	3-amino-2,3,6-trideoxy-L-lyxo-hexose (daunosamine)
a-Daup3N			3	3	[CH3][C@H](O1)[C@@H](O)[C@@H](N)[CH2][C@H](O)1   odnodd
Dce	mva*	lip	13	13	*OCCCCCCCCC=C0222222212	dec-9-enoic acid
Dce			13	13	[CH2]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   adddddddDD
Dco	mva*	lip	100	75	*OCCCCCCCCCC/3=O0222222223	capric acid (decanoic acid)
Dco			100	75	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O   addddddddd
DD3,9dgulNon5N7N-ulosonic	non*	ket	0	0	A?d22122m_5*N_7*N002111113	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)
DD3,9dmanNon5N7N-ulosonic	non*	ket	1	1	A?d11222m_5*N_7*N002111113	5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-manno-non-2-ulosonic acid
a-DD3,9dmanNonp5N7N-ulosonic			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
DD3,9dthraltNon-onic	non*	opn	4	4	A1d22212m012111113	3,9-dideoxy-D-threo-D-altro-nononic acid
DD3,9dthraltNon-onic			4	4	[CH3][C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C](=O)(O)   aodoooood
DDaltHep	hep*	ald	6	6	?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	32	14	?21122h1111112	D-glycero-D-galacto-heptose
b-DDgalHepp a-DDgalHepp			28 4	10 4	[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
DDglcHep	hep*	ald	3	3	?21222h1111112	D-glycero-D-gluco-heptose
b-DDglcHepp a-DDglcHepp			2 1	2 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
DDHEP	hep*	sug	0	0	QQQQ22Q	superclass: DD-heptose
no configuration variants are populated
DDHep	hep*	sug	10	9		alias: DD-heptose
a-DDHepp			10	9	???????
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	hep*	ald	1121	725	?11222h1111112	D-glycero-D-manno-heptose
a-DDmanHepp ?-DDmanHepp b-DDmanHepp ?-DDmanHep?			1060 35 23 3	684 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
DDmanHep-ol	hep*	ol	1	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
Dec	mva*	alk	14	14	*OCCCCCCCCCC2222222223	decanol
Dec			14	14	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O   oddddddddd
DEC	dec*	sug	0	0	QQQQQQQQQQ	superclass: decose
no configuration variants are populated
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	778	405	?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 78 46 31 15 5 2	300 38 32 16 14 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
Dig3CMe	hep	ald	3	3	?d622m_3*C1201133	2,6-dideoxy-3-C-methyl-ribohexose (3-C-methyl-digitoxose) (3-O-methyl derivative = cladinose)
a-L-Digp3CMe ?-L-Dig?3CMe			2 1	2 1	[CH3][C@H](O1)[C@H](O)[C@]([CH3])(O)[CH2][C@H](O)1   odooddd 2 variants possible; use an icon →   ?do??dd
Diosgenin	nsu*		71	71	@diosgenin~221201211022012113313022123	diosgenin (25R-spirost-5-en-3b-ol), atom numbering: https://www.mdpi.com/molecules/molecules-25-03546/article_deploy/html/images/molecules-25-03546-g001.png
Diosgenin			71	71	C[C@@H]1CC[C@]2(O[CH2]1)[C@@H](C)[C@H]3[C@H](C[C@@H]4[C@]3(C)CC[C@H]5[C@H]4CC=C6[C@]5(C)CC[CH](O)C6)O2   ddodDDddddddddddddddddddddd
DL3,9dgalNon5N7N-ulosonic	non*	ket	21	21	A?d12212m_5*N_7*N002111113	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	7	7	A?d12112m_5*N_7*N002111113	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
DLglcHep	hep*	ald	18	18	?12112h1111112	D-glycero-L-gluco-heptose
a-DLglcHepp b-DLglcHepp ?-DLglcHepp ?-DLglcHep?			10 6 1 1	10 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)
Dod	mva*	alk	24	24	*OCCCCCCCCCCCC222222222223	dodecanol
Dod			24	24	[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O   oddddddddddd
dPam	mva*	lip	24	24	*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
Echinocystic	nsu*		99	99	@echinocystic~221012201021002101202233333033	echinocystic acid (olean-12-en-3b,16a-diol-28-oic acid)
Echinocystic			99	99	CC1(C)[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]([C](O)=O)5[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H]   ddoddddddddDDddodddddddddddadd
epiIno	nsu*	ino	0	0	122222111111	epi-inositol (cis-1-trans-2,3,4,5,6-cyclohexanehexol)
no configuration variants are populated					oooooo (acyclic)
Ere3N3CMe	hep*	ald	4	2	?d611m_3*N_3*C1201133	3-amino-2,3,6-trideoxy-3-C-methyl-L-arabino-hexose (eremosamine)
a-Erep3N3CMe			4	2	[CH3][C@H](O1)[C@H](O)[C@@]([CH3])(N)[CH2][C@H](O)1   odnoddd
Eru	tet	ket	0	0	hO2h2012	erythrulose
no configuration variants are populated					oxoo (acyclic)
Erwiniose	dec*	ald	10	9	?2d21d2m_4*1C^RC/2O*21120121313	3,6,8-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-gulo-octose
b-Erwiniose? a-Erwiniose?			8 2	8 1	[CH3][C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@H](O)1   ?odo?dodod [CH3][C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@@H](O)1   ?odoodod?d
Ery	tet	ald	1	1	?22h1112	erythrose
?-?-Ery?			1	1	4 variants possible; use an icon →   ?oo?
Ery-ol	tet	ol	190	190	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
Ery-onic	tet	opn	18	18	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
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)
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)
Et	mva*	alk	53	53	*OCC23	ethanol
Et			53	53	[CH3][CH2]O   od
EtN	nsu*		2092	1588	*1OCCN*222	2-aminoethanol (ethanolamine)
EtN			2092	1588	[CH2](N)[CH2](O)   on
Etg	di*	ol	38	31	hh22	ethylene glycol
Etg			38	31	[CH2](O)[CH2](O)   oo
Etg-al	di*	opn	7	4	oh12	glycolaldehyde
Etg-al			7	4	[CH2](O)[CH]=O   Ao
F	mva*		24	7	*F	fluorine
F			24	7	[1FH]   a
Fer	nsu*		312	258	*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8OC/3=O0100111103	ferulic acid (E-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic)
Fer			312	258	[CH]1=[CH][C](O)=[C](O[CH3])[CH]=[C]1/[CH]=[CH]/[C](=O)O   DDxODDDDad
Fo	mva*		306	187	*OC=O	formic acid
Fo			306	187	[CH](=O)O   a
For	oct*	ald	2	2	?dd22m_4*NC/2C12211333	4-dimethylamino-2,3,4,6-tetradeoxy-D-erythro-hexose (forosamine)
a-Forp			2	2	[CH3][C@@H](O1)[C@@H](N([CH3])[CH3])[CH2][CH2][C@@H](O)1   oddndddd
Fru	hex	ket	679	484	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			604 25 18 11 9 7 3 1 1	410 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
Fuc	hex	ald	3123	2523	?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			2126 428 162 74 73 60 44 34 32 26 21 19 7 5 4 3 2 2 1	1619 419 136 59 60 49 40 28 26 26 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
Fuc-ol	hex	ol	4	4	h2112m211113	6-deoxy-D-galactitol (D-fucitol), 1-deoxy-D-galactitol (L-fucitol)
L-Fuc-ol D-Fuc-ol			3 1	3 1	[CH3][C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[CH2](O)   oooood [CH3][C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH2](O)   oooood
Fuc1N-ol	hex	ol	2	2	h2112m_1*N211113	1-amino-1,6-dideoxy-D-galactitol
?-Fuc1N-ol			2	2	2 variants possible; use an icon →   nooood
Fuc3N	hex	ald	223	195	?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			131 70 5 5 5 4 2 1	106 69 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	79	76	?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			63 5 5 3 2 1	60 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	749	675	?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 ?-D-FucpN a-D-Fuc?N b-L-FucfN ?-L-Fuc?N a-L-FucfN b-D-FucfN a-?-FucpN b-D-Fuc?N ?-?-FucpN			461 149 94 13 7 5 5 4 4 2 1 1 1 1 1	393 145 94 11 7 5 5 4 4 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](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1   onoodd 2 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 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
FucN-ol	hex	ol	14	14	h2112m_2*N211113	2-amino-2,6-dideoxy-D-galactitol / 5-amino-1,5-dideoxy-D-galactitol (D/L, respectively)
D-FucN-ol L-FucN-ol ?-FucN-ol			8 5 1	8 5 1	[CH3][C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH2](O)   onoood [CH3][C@H](O)[C@@H](O)[C@@H](O)[C@H](N)[CH2](O)   onoood 2 variants possible; use an icon →   onoood
FucN4N	hex	ald	227	203	?2112m_2*N_4*N111113	2,4-diamino-2,4,6-trideoxygalactose
b-D-FucpN4N a-D-FucpN4N b-L-FucpN4N a-L-FucpN4N			111 106 7 3	94 99 7 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
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	5	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
Gal	hex	ald	20026	13097	?2112h111112	galactose
b-D-Galp a-D-Galp b-D-Galf ?-D-Galp b-?-Galp a-D-Galf ?-?-Galp ?-D-Gal? 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			9830 6231 2012 499 293 183 135 132 126 109 106 99 67 57 46 33 29 19 10 9 1	6531 4353 1070 284 114 144 51 127 93 53 51 58 42 44 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 2 variants possible; use an icon →   oooodo 3 variants possible; use an icon →   ?oo??o 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
Gal-ol	hex	ol	103	103	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
Gal1N	hex	ald	3	3	?2112h_1*N111112	1-amino-1-deoxygalactose (used for N-glycans)
b-D-Galp1N			3	3	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](N)1   nooodo
Gal1S	hex	ald	1	1	?2112m_1*S111112	1-thiogalactose (with C-SH bond)
b-D-Galp1S			1	1	[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](S)1   hooodo
Gal3F	hex	ald	2	2	?2112h_3*F111112	3-deoxy-3-fluorogalactose
a-D-Galp3F			2	2	[CH2](O)[C@@H](O1)[C@H](O)[C@H](F)[C@@H](O)[C@@H](O)1   ooxodo
Gal3N	hex	ald	0	0	?2112h_3*N111112	3-amino-3-deoxygalactose
no configuration variants are populated					Aonooo (acyclic), oonodo (pyranose), oondoo (furanose)
Gal4N5N-onic	hex	opn	1	1	A2112h_4*N_5*N011112	4,5-diamino-4,5-dideoxygalactonic acid
L-Gal4N5N-onic			1	1	[CH2](O)[C@H](N)[C@@H](N)[C@@H](O)[C@H](O)[C](=O)O   aoonno
GalA	hex	ald	2122	1574	?2112A111110	galacturonic acid
a-D-GalpA b-D-GalpA a-?-GalpA ?-D-GalpA ?-?-GalpA a-D-Gal?A b-?-GalpA ?-?-Gal?A ?-D-Gal?A b-L-GalpA			1445 444 110 76 20 9 7 5 4 2	1078 396 28 37 16 5 5 4 4 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 2 variants possible; use an icon →   ooooda 4 variants possible; use an icon →   ?oo??a 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
GalA-ol	hex	ol	1	1	h2112A211110	galactitol uronic acid (same as galactonic acid with inverted D
?-GalA-ol			1	1	2 variants possible; use an icon →   oooooa
GalN	hex	ald	4388	3781	?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			2131 1985 109 57 30 21 17 8 7 6 6 3 3 2 1 1 1	1827 1701 94 57 30 21 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
GalN-ol	hex	ol	18	18	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
GalN1N	hex	ald	8	8	?2112h_1*N_2*N111112	1,2-diamino-1,2-dideoxygalactose (used for N-glycans)
b-D-GalpN1N ?-D-GalpN1N			6 2	6 2	[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
GalN3N	hex	ald	0	0	?2112h_2*N_3*N111112	2,3-diamino-2,3-dideoxygalactose
no configuration variants are populated					Annooo (acyclic), onnodo (pyranose), onndoo (furanose)
GalN3N4NA	hex	ald	8	8	?2112A_2*N_3*N_4*N111110	2,3,4-triamino-2,3,4-trideoxygalacturonic acid
a-L-GalpN3N4NA			8	8	[C](=O)(O)[C@H](O1)[C@@H](N)[C@@H](N)[C@H](N)[C@H](O)1   onnnda
GalN3NA	hex	ald	38	28	?2112A_2*N_3*N111110	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	526	394	?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			436 70 11 3 2 2 2	305 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
Gallic	nsu*		224	135	*7OC(CC^ECC^ZCC^E$4)/8O*5/7O*4/6O*3/3=O0100010	3,4,5-trihydroxybenzoic acid (gallic acid)
Gallic			224	135	[CH]1=[C](O)[C](O)=[C](O)[CH]=[C]1[C](=O)O   DDOOODa
Gar3N	hep*	ald	3	3	?215h_3*NC/2C_4*C1110233	4C-methyl-3-methylamino-3-deoxy-L-arabinose (garosamine)
b-Garp3N			3	3	[CH2](O1)[C@]([CH3])(O)[C@H](N[CH3])[C@@H](O)[C@@H](O)1   oonoddd
Gc	nsu*	lip	109	85	*1OCCO*2/3=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)
Gent	nsu*		8	8	*7OC(CC^ECC^ECC^Z$4)/8O*5/5O*2/3=O0011010	2,5-dihydroxybenzoic acid (gentisic acid)
Gent			8	8	[CH]1=[C](O)[CH]=[CH][C](O)=[C]1[C](=O)O   DODDODa
Glc	hex	ald	36232	21320	?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-L-Glcp a-D-Glcf b-L-Glcp ?-L-Glcp			24673 9755 908 237 146 112 87 84 70 58 50 28 11 6 4 2 1	14601 5501 639 229 70 25 57 26 42 42 50 21 5 6 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](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)[C@@H](O)1   oooodo [CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1   oooodo
Glc-ol	hex	ol	155	154	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
Glc1N	hex	ald	59	59	?2122h_1*N111112	1-amino-1-deoxyglucose (used for N-glycans)
b-D-Glcp1N ?-D-Glcp1N			52 7	52 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
Glc1N-ol	hex	ol	2	2	h2122h_1*N211112	1-amino-1-deoxyglucitol
?-Glc1N-ol			2	2	2 variants possible; use an icon →   nooooo
Glc1NA	hex	ald	2	2	?2122A_1*N111110	1-amino-1-deoxyglucuronic acid (used for N-glycans)
b-D-Glcp1NA			2	2	[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](N)1   noooda
Glc1S	hex	ald	67	67	?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	6	6	?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
Glc3N6N	hex	ald	1	1	?2122h_3*N_6*N111112	3,6-diamino-3,6-dideoxyglucose
a-D-Glcp3N6N			1	1	[CH2](N)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@@H](O)1   oonodn
Glc3NA	hex	ald	17	10	?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	4	4	?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	4050	3592	?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			3114 761 77 45 14 10 10 7 6 3 2 1	2742 711 58 34 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 →