CSDB : aglycon statistics

CSDB : aglycon namespace

The table lists 2450 aglycons from core/aglycons.txt, and supplies them with abundance in CSDB.
To search for names, use Ctrl-F. To re-sort click an option: semi-systematic name, trivial name, abundance.

25R-5α-furostan-2α,3β,22α,26-tetrol SMILES C[C@H]1[C@H]2[C@@H](O{22}[C@]1(O)CC[C@H]({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC[C@@H]5[C@]4(C)C[C@@H](O){3}[C@H](O)C5 2 compound(s) in CSDB (view)
25R-5α-furostan-2α,3β,22,26-tetrol SMILES C[C@H]1[C@H]2[C@@H](O{22}C1(O)CC[C@H]({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC[C@@H]5[C@]4(C)C[C@@H](O){3}[C@H](O)C5 10 compound(s) in CSDB (view)
25S-5α-furostan-2α,3β,22,26-tetrol SMILES C[C@H]1[C@H]2[C@@H](O{22}C1(O)CC[C@@H]({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC[C@@H]5[C@]4(C)C[C@@H](O){3}[C@H](O)C5 6 compound(s) in CSDB (view)
25R-5α-furostan-3β,6α,22,26-tetrol SMILES [H][C@]1(O{22}C(CC[C@@H](C){26}[CH2]O)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])C{6}[C@H](O)[C@@]5([H])C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 2 compound(s) in CSDB (view)
25R-5α-furostan-3β,6β,22,26-tetrol SMILES [H][C@]1(O{22}C(CC[C@@H](C){26}[CH2]O)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])C{6}[C@@H](O)[C@@]5([H])C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 3 compound(s) in CSDB (view)
25R-5α-furostan-3β,6β,22α,26-tetrol SMILES [H][C@]1(O{22}[C@@](CC[C@@H](C){26}[CH2]O)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])C{6}[C@@H](O)[C@@]5([H])C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 1 compound(s) in CSDB (view)
25R-5β-furostan-2β,3β,22,26-tetrol SMILES [H][C@]1(O{22}C(CC[C@@H](C){26}CO)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC[C@]5([H])C{3}[C@@H](O){2}[C@@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 2 compound(s) in CSDB (view)
25R-5α-furostan-3β,22,26-triol SMILES C[C@H]1[C@H]2[C@@H](O{22}C1(O)CC[C@H]({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC[C@@H]5[C@]4(C)CC{3}[C@H](O)C5 10 compound(s) in CSDB (view)
25S-5α-furostan-3β,22,26-triol SMILES C[C@H]1[C@H]2[C@@H](O{22}C1(O)CC[C@@H]({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC[C@@H]5[C@]4(C)CC{3}[C@H](O)C5 5 compound(s) in CSDB (view)
25R-5α-furostan-3β,22α,26-triol SMILES [H][C@]1(O{22}[C@@](CC[C@@H](C){26}[CH2]O)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 6 compound(s) in CSDB (view)
25S-5α-furostan-3β,22α,26-triol SMILES [H][C@]1(O{22}[C@@](CC[C@H](C){26}[CH2]O)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 2 compound(s) in CSDB (view)
5α-furostan-3β,22α,26-triol SMILES [H][C@]1(O{22}[C@@](CCC(C){26}[CH2]O)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 1 compound(s) in CSDB (view)
25S-5β-furostan-3β,22,26-triol SMILES C[C@H]1[C@H]2[C@@H](O{22}C1(O)CC[C@@H]({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC[C@H]5[C@]4(C)CC{3}[C@H](O)C5 5 compound(s) in CSDB (view)
25R-5β-furostan-3β,22,26-triol SMILES C[C@H]1[C@H]2[C@@H](O{22}C1(O)CC[C@H]({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC[C@H]5[C@]4(C)CC{3}[C@H](O)C5 2 compound(s) in CSDB (view)
25S-5β-furostan-3β,22α,26-triol SMILES C[C@H]1[C@H]2[C@@H](O{22}[C@]1(O)CC[C@@H]({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC[C@H]5[C@]4(C)CC{3}[C@H](O)C5 8 compound(s) in CSDB (view)
5β-furostan-3β,22α,26-triol SMILES C[C@H]1[C@H]2[C@@H](O{22}[C@]1(O)CCC({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC[C@H]5[C@]4(C)CC{3}[C@H](O)C5 2 compound(s) in CSDB (view)
25R-5α-furostan-2α,3β,26-triol SMILES C[C@H]1[C@H]2[C@@H](OC1CC[C@H]({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC[C@@H]5[C@]4(C)C[C@@H](O){3}[C@H](O)C5 1 compound(s) in CSDB (view)
25R-furostan-2α,3β,26-triol SMILES [H][C@]1(OC(CC[C@@H](C){26}CO)[C@H]2C)C[C@@]3([H])[C@]4([H])CCC5([H])C{3}[C@@H](O){2}[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 1 compound(s) in CSDB (view)
25R-furostan-1β,2β,3β,4β,5β,22,26-heptol SMILES [H][C@]1(O{22}C(CC[C@@H](C){26}CO)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC{5}[C@]5(O){4}[C@@H](O){3}[C@@H](O){2}[C@@H](O){1}[C@@H](O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 2 compound(s) in CSDB (view)
furostan-1β,2β,3β,4β,5β,22,26-heptol SMILES [H][C@]1(O{22}C(CCC(C){26}CO)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC{5}[C@]5(O){4}[C@@H](O){3}[C@@H](O){2}[C@@H](O){1}[C@@H](O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 1 compound(s) in CSDB (view)
furostan-1β,3β,4β,5β,22,26-hexol SMILES [H][C@]1(O{22}C(CCC(C){26}CO)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC{5}[C@]5(O)[C@@H](O)[C@@H](O)C[C@@H](O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 1 compound(s) in CSDB (view)
25R-furostane-2α,3β,5α,6β,22,26-hexol SMILES [H][C@]1(O{22}C(CC[C@@H](C){26}CO)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])C{6}[C@@H](O){5}[C@@]5(O)C{3}[C@@H](O){2}[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 2 compound(s) in CSDB (view)
5α-furostan-2α,3β,6β,22,26-pentol SMILES [H][C@]1(O{22}C(CCC(C){26}CO)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])C{6}[C@@H](O)[C@@]5([H])C{3}[C@@H](O){2}[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 1 compound(s) in CSDB (view)
25R-5α-furostan-2α,3β,6β,22,26-pentol SMILES [H][C@]1(O{22}C(CC[C@@H](C){26}CO)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])C{6}[C@@H](O)[C@@]5([H])C{3}[C@@H](O){2}[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 3 compound(s) in CSDB (view)
25R-furost-5-en-3β,22,26-triol SMILES C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}C1(CC[C@@H](C){26}[CH2]O)O 23 compound(s) in CSDB (view)
25S-furost-5-en-3β,22,26-triol SMILES C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}C1(CC[C@H](C){26}[CH2]O)O 7 compound(s) in CSDB (view)
furost-5-ene-3β,22,26-triol SMILES C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}C1(CCC(C){26}[CH2]O)O 2 compound(s) in CSDB (view)
25R-furost-5-en-3β,22α,26-triol SMILES C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}[C@@]1(CC[C@@H](C){26}[CH2]O)O 27 compound(s) in CSDB (view)
25S-furost-5-en-3β,22α,26-triol SMILES C[C@H]1[C@@H]2[C@H](C[C@]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}[C@@]1(CC[C@H](C){26}[CH2]O)O 4 compound(s) in CSDB (view)
furost-5-en-1β,3β,22-triol SMILES [H][C@]1(O{22}C(CCC(C)C)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC=C5C{3}[C@@H](O)C{1}[C@@H](O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H]
25R-5β-furost-20(22)-en-2β,3β,26-triol SMILES [H][C@]1(OC(CC[C@@H](C){26}CO)=C2C)C[C@@]3([H])[C@]4([H])CC[C@]5([H])C{3}[C@@H](O){2}[C@@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 1 compound(s) in CSDB (view)
25R-furost-5-en-1β,3β,22,26-tetrol SMILES C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4({1}[C@H](O)C{3}[C@@H](C5)O)C)C)O{22}C1(CC[C@@H](C){26}[CH2]O)O 9 compound(s) in CSDB (view)
25R-furost-5-en-2α,3β,22α,26-tetrol SMILES [H][C@]1(O{22}[C@@](CC[C@@H](C){26}[CH2]O)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC=C5C{3}[C@@H](O){2}[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 2 compound(s) in CSDB (view)
25R-furost-5-en-3β,17α,22,26-tetrol SMILES C[C@H]1{17}[C@@]2(O)[C@@H](O{22}C1(O)CC[C@H]({26}CO)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC=C5[C@]4(C)CC{3}[C@H](O)C5 4 compound(s) in CSDB (view)
furost-5-en-3β,14α,22R,26-tetrol SMILES C[C@H]1[C@@H]2[C@H](C{14}[C@]3(O)[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}[C@@]1(CCC(C){26}[CH2]O)O 2 compound(s) in CSDB (view)
furost-5-en-3β,14α,22S,26-tetrol SMILES C[C@H]1[C@@H]2[C@H](C{14}[C@]3(O)[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}[C@]1(CCC(C){26}[CH2]O)O 2 compound(s) in CSDB (view)
25S-furost-5-en-3β,22α,26,27-tetrol SMILES [H][C@]1(O{22}[C@@](CC[C@H]({26}CO){27}CO)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC=C5C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 1 compound(s) in CSDB (view)
25R-furost-5-en-3β,14,22,26-tetrol SMILES C[C@H]1[C@@H]2[C@H](C{14}C3(O)[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}C1(CC[C@@H](C){26}[CH2]O)O 1 compound(s) in CSDB (view)
25S-furost-5-en-3β,14α,22,26-tetrol SMILES C[C@H]1[C@@H]2[C@H](C{14}[C@]3(O)[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}C1(CC[C@H](C){26}[CH2]O)O 1 compound(s) in CSDB (view)
furosta-5,25(27)-dien-1β,3β,22,26-tetrol SMILES C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4({1}[C@H](O)C{3}[C@@H](C5)O)C)C)O{22}C1(CCC(=C){26}[CH2]O)O 12 compound(s) in CSDB (view)
25R-furost-5,20(22)-dien-3β,26-diol SMILES [H][C@]1(OC(CC[C@@H](C){26}[CH2]O)=C2C)C[C@@]3([H])[C@]4([H])CC=C5C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 3 compound(s) in CSDB (view)
25R-furost-4-en-3-one SMILES C[C@@H]({26}CO)CC{22}C5(O)O[C@H]4CC3C2CC/C1=C/C(=O)CC[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C 1 compound(s) in CSDB (view)
22,25-epoxyfurost-5-en-27-ol SMILES C[C@H]5C4C(CC3C2C/C=C\1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)C[C@]56CCC(C)({27}CO)C6 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]5C4C(CC3C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)C[C@]56CCC(C)(CO)C6$
(25R)-furost-5-en-3β,22β,26-triol SMILES [H][C@]1(O{22}[C@](CC[C@@H](C){26}CO)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC=C5C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H]
5α-furosta-25(27)-en-1β,3β,22,26-tetrol SMILES C=C({26}CO)CC{22}[C@@]5(O)OC4CC3C2CCC1C{3}[C@@H](O)C{1}[C@@H](O)[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C 2 compound(s) in CSDB (view)
5α-furost-25(27)-en-1β,3α,22,26-tetrol SMILES C=C({26}CO)CC{22}[C@@]5(O)OC4CC3C2CCC1C{3}[C@H](O)C{1}[C@@H](O)[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C 2 compound(s) in CSDB (view)
5α-furost-25(27)-en-1β,3α,4α,22,26-pentol SMILES C=C({26}CO)CC{22}[C@@]5(O)OC4CC3C2CCC1{4}[C@H](O){3}[C@H](O)C{1}[C@@H](O)[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C 1 compound(s) in CSDB (view)
5α-furost-25(27)-en-1β,3β,4α,22,26-pentol SMILES C=C({26}CO)CC{22}[C@@]5(O)OC4CC3C2CCC1{4}[C@H](O){3}[C@@H](O)C{1}[C@@H](O)[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C 1 compound(s) in CSDB (view)
(20S,25R)-furosta-5,22-diene-3β,21α,26-triol SMILES C[C@@H]({26}CO)C/C=C/5OC4CC3C2C/C=C\1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@]3(C)C4{21}[C@]5(C)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H](CO)C/C=C/5OC4CC3C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2CC[C@]3(C)C4[C@]5(C)O$
25R-furostan-1β,3β,4β,5β,22,26-hexol SMILES [H][C@]1(O{22}C(CC[C@@H](C){26}CO)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC{5}[C@]5(O)[C@@H](O)[C@@H](O)C[C@@H](O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 1 compound(s) in CSDB (view)
25R-5β-furostan-3β,22α,26-triol SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C{3}[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O{22}[C@]1(O)CC[C@@H](C){26}CO 2 compound(s) in CSDB (view)
25S-5α-furost-20(22)-ene-2α,3β,26-triol SMILES [H][C@]1(OC(CC[C@H](C){26}CO)=C2C)C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C{3}[C@@H](O){2}[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 3 compound(s) in CSDB (view)
(3β,5β,25S)-furost-20(22)-en-3,26-diol SMILES [H][C@]1(OC(CC[C@H](C){26}CO)=C2C)C[C@@]3([H])[C@]4([H])CC[C@]5([H])C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 3 compound(s) in CSDB (view)
25R-spirostane-1β,2β,3β,4β,5β-pentol pentologenin SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC{5}[C@]6(O){4}[C@@H](O){3}[C@@H](O){2}[C@@H](O){1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 2 compound(s) in CSDB (view)
neopentologenin SMILES [H][C@]1(O[C@@]2(OCC(=C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC{5}[C@]6(O){4}[C@@H](O){3}[C@@H](O){2}[C@@H](O){1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
24S,25S-spirostane-2α,3β,5α,6β,24-pentol SMILES [H][C@]1(O[C@@]2(OC[C@H](C){24}[C@@H](O)C2)[C@H]3C)C[C@@]4([H])[C@]5([H])C{6}[C@@H](O){5}[C@@]6(O)C{3}[C@@H](O){2}[C@H](O)C[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 2 compound(s) in CSDB (view)
25R-5α-spirostan-2α,3β,5α,6β-tetrol alliogenin SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])C{6}[C@@H](O){5}[C@@]6(O)C{3}[C@@H](O){2}[C@H](O)C[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 6 compound(s) in CSDB (view)
25R-spirostane-1β,3β,4β,5β-tetrol kitigenin SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC{5}[C@]6(O){4}[C@@H](O){3}[C@@H](O)C{1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25R-5α-spirostan-2α,3β,6β-triol agigenin SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])C{6}[C@@H](O)[C@@]6([H])C{3}[C@@H](O){2}[C@H](O)C[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 8 compound(s) in CSDB (view)
25S-5α-spirostan-2α,3β,6β-triol SMILES [H][C@]1(O[C@@]2(OC[C@@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])C{6}[C@@H](O)[C@@]6([H])C{3}[C@@H](O){2}[C@H](O)C[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 2 compound(s) in CSDB (view)
5α-spirostan-2α,3β,6β-triol SMILES [H][C@]1(O[C@@]2(OCC(C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])C{6}[C@@H](O)[C@@]6([H])C{3}[C@@H](O){2}[C@H](O)C[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 5 compound(s) in CSDB (view)
25R-5α-spirostan-2α,3β,16-triol SMILES [H][C@]12{16}[C@](O[C@@]3(OC[C@H](C)CC3)[C@H]2C)(O)C[C@@]4([H])[C@]5([H])CC[C@@]6([H])C{3}[C@@H](O){2}[C@H](O)C[C@]6(C)[C@@]5([H])CC[C@]14C
25R-5α-spirostan-3β,6α,23S-triol hongguanggenin SMILES [H][C@]1(O[C@@]2(OC[C@H](C)C{23}[C@@H]2O)[C@H]3C)C[C@@]4([H])[C@]5([H])C{6}[C@H](O)[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 2 compound(s) in CSDB (view)
25R-5α-spirostan-1α,3β-diol SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC[C@@]6([H])C{3}[C@@H](O)C{1}[C@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25R-5α-spirostan-1β,3β-diol SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC[C@@]6([H])C{3}[C@@H](O)C{1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 3 compound(s) in CSDB (view)
25R-5α-spirostan-3β,12β-diol SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])C{12}[C@@H](O)[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25R-5α-spirostan-3β,12α-diol SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])C{12}[C@H](O)[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25R-5α-spirostan-3β,6β-diol SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])C{6}[C@@H](O)[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 3 compound(s) in CSDB (view)
25R-5α-spirostan-3β,6α-diol chlorogenin SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])C{6}[C@H](O)[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 8 compound(s) in CSDB (view)
25R-5β-spirostan-3β,24S-diol SMILES [H][C@]1(O[C@@]2(OC[C@@H](C){24}[C@@H](O)C2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC[C@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25R-5α-spirostan-3β-ol tigogenin SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 31 compound(s) in CSDB (view)
25S-5α-spirostan-3β-ol neotigogenin SMILES C[C@H]1CCC2(OC1)OC3CC4C5CCC6C{3}[C@@H](O)CC[C@]6(C)C5CC[C@]4(C)C3[C@@H]2C 4 compound(s) in CSDB (view)
5β-spirostan-3β-ol SMILES [H][C@]1(O[C@@]2(OCC(C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC[C@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 3 compound(s) in CSDB (view)
25S-spirostan-3β-ol SMILES [H][C@]1(O[C@@]2(OC[C@@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CCC6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25S-5β-spirostan-3β-ol sarsasapogenin SMILES [H][C@]1(O[C@@]2(OC[C@@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC[C@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 15 compound(s) in CSDB (view)
25S-5β-spirostan-3β,15α-diol 15-hydroxysarsasapogenin SMILES [H][C@]1(O[C@@]2(OC[C@@H](C)CC2)[C@H]3C){15}[C@H](O)[C@@]4([H])[C@]5([H])CC[C@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 4 compound(s) in CSDB (view)
25S-5β-spirostan-2β,3β-diol marcogenin SMILES [H][C@]1(O[C@@]2(OC[C@@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC[C@]6([H])C{3}[C@@H](O){2}[C@@H](O)C[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
spirost-5-en-3β-ol SMILES [H][C@]1(O[C@@]2(OCC(C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25R-spirost-5-en-3β-ol diosgenin SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC{3}[C@@H](C6)O)C)C)C)OC1 CSDB Linear: xXDiosgenin 71 compound(s) in CSDB (view)
25S-spirost-5-en-3β-ol yamogenin SMILES C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}[C@@]1(CC[C@H](C){26}[CH2]O)O 13 compound(s) in CSDB (view)
25R-spirost-5-en-3β,12α-diol SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])C{12}[C@H](O)[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25R-spirost-5-en-3β,12β-diol heloniogenin SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])C{12}[C@@H](O)[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25R-spirost-5-en-3β,14α-diol SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C{14}[C@@]4(O)[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 3 compound(s) in CSDB (view)
spirost-5-en-3β,14-diol SMILES [H][C@]1(O[C@@]2(OCC(C)CC2)[C@H]3C)C{14}C4(O)[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
spirost-5-en-3β,14α-diol SMILES [H][C@]1(O[C@@]2(OCC(C)CC2)[C@H]3C)C{14}[C@@]4(O)[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 3 compound(s) in CSDB (view)
25R-spirost-5-en-3β,17α-diol pennogenin SMILES C[C@@H]1CC[C@@]2([C@H]({17}[C@]3([C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC{3}[C@@H](C6)O)C)C)O)C)OC1 12 compound(s) in CSDB (view)
25R-spirost-5-en-3β,26R-diol SMILES [H][C@]1(O[C@@]2(O{26}[C@@H](O)[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 10 compound(s) in CSDB (view)
spirost-5-en-1β,3β-diol SMILES [H][C@]1(O[C@@]2(OCC(C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)C{1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25R-spirost-5-en-1β,3β-diol ruscogenin SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)C{1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 20 compound(s) in CSDB (view)
25S-spirost-5-en-1β,3β-diol 25S-ruscogenin SMILES [H][C@]1(O[C@@]2(OC[C@@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)C{1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 8 compound(s) in CSDB (view)
23S,24S-dihydroxy-25S-ruscogenin SMILES [H][C@]1(O[C@@]2(OC[C@H](C){24}[C@H](O){23}[C@@H]2O)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)C{1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 5 compound(s) in CSDB (view)
25R-spirost-5-en-2α,3β-diol SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O){2}[C@H](O)C[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 2 compound(s) in CSDB (view)
25R-spirost-5-en-3β,27-diol narthogenin SMILES [H][C@]1(O[C@@]2(OC[C@@H]({27}CO)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 15 compound(s) in CSDB (view)
25S-spirost-5-en-3β,27-diol isonarthogenin SMILES [H][C@]1(O[C@@]2(OC[C@H]({27}CO)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 11 compound(s) in CSDB (view)
25R-spirost-5-en-3β,14α,23S-triol sibiricogenin SMILES [H][C@]1(O[C@@]2(OC[C@H](C)C{23}[C@@H]2O)[C@H]3C)C{14}[C@@]4(O)[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25S-spirost-5-en-3β,14α-diol neoprazerigenin A SMILES [H][C@]1(O[C@@]2(OC[C@@H](C)CC2)[C@H]3C)C{14}[C@@]4(O)[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
25S-spirost-5-en-2α,3β,24S-triol SMILES [H][C@]1(O[C@@]2(OC[C@H](C){24}[C@@H](O)C2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O){2}[C@H](O)C[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 2 compound(s) in CSDB (view)
25R-spirost-5-en-3β,17,24R-triol SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C){17}[C@@]1(O)[C@H](C)[C@]6(OC[C@@H](C){24}[C@H](O)C6)O2 1 compound(s) in CSDB (view)
25S-spirost-5-en-3β,17,24R-triol SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C){17}[C@@]1(O)[C@H](C)[C@]6(OC[C@H](C){24}[C@H](O)C6)O2 2 compound(s) in CSDB (view)
25R-spirost-5-en-3β,17α,26R-triol SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C){17}[C@@]1(O)[C@H](C)[C@]6(O{26}[C@@H](O)[C@H](C)CC6)O2 9 compound(s) in CSDB (view)
25S-spirost-5-en-3β,17α,27-triol SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C){17}[C@@]1(O)[C@H](C)[C@]6(OC[C@H]({27}CO)CC6)O2 1 compound(s) in CSDB (view)
23S,24S,25R-spirost-5-en-1β,3β,12β,23,24-pentol SMILES [H][C@]1(O[C@@]2(OC[C@@H](C){24}[C@H](O){23}[C@@H]2O)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)C{1}[C@@H](O)[C@]6(C)[C@@]5([H])C{12}[C@@H](O)[C@]4(C)[C@]13[H] 8 compound(s) in CSDB (view)
25S-spirost-5-en-3β,22α,26,27-tetrol SMILES [H][C@]1(O[C@@]2(O{26}[CH](O)[C@H]({27}CO)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
spirosta-5,25(27)-diene-1β,3β-diol neoruscogenin SMILES [H][C@]1(O[C@](OCC2=C)(CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)C{1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 13 compound(s) in CSDB (view)
spirosta-5,25(27)-diene-1β,3β,23S-triol SMILES [H][C@]1(O[C@](OCC2=C)({23}[C@@H](O)C2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)C{1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 6 compound(s) in CSDB (view)
spirosta-5,25(27)-diene-1β,3β,23S,24S-tetrol SMILES [H][C@]1(O[C@](OCC2=C)({23}[C@@H](O){24}[C@H]2O)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)C{1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 6 compound(s) in CSDB (view)
spirosta-5,25(27)-diene-1β,3β,21,23S,24S-pentol SMILES [H][C@]1(O[C@](OCC2=C)({23}[C@@H](O){24}[C@H]2O)[C@H]3{21}CO)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)C{1}[C@@H](O)[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 2 compound(s) in CSDB (view)
22S,25R-spirost-5-en-26-one-3β,15α,23R-triol SMILES [H][C@]1(O[C@@](OC2=O)({23}[C@H](O)C[C@H]2C)[C@H]3C){15}[C@H](O)[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 2 compound(s) in CSDB (view)
22S,25R-spirost-5-en-12-one-3β-ol gentrogenin SMILES [H][C@]1(O[C@]2(OC[C@H](C)CC2)[C@@H](C)[C@@]1([C@]34C)[H])C[C@@]3([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC4=O 1 compound(s) in CSDB (view)
25R-2α,3β-dihydroxy-5α-spirostan-12-one manogenin SMILES C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]3[C@H](C[C@@H]4[C@]3(C)C(C[C@H]5[C@H]4CC[C@@H]6[C@]5(C)C{2}[C@@H](O){3}[C@H](O)C6)=O)O2 3 compound(s) in CSDB (view)
25R-2α,3β-dihydroxy-5α-spirostan-9(11)-en-12-one 9,11-dehydromanogenin SMILES C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]3[C@H](C[C@@H]4[C@]3(C)C(C=C5[C@H]4CC[C@@H]6[C@]5(C)C{2}[C@@H](O){3}[C@H](O)C6)=O)O2 3 compound(s) in CSDB (view)
25R-2α,3β,22,26-tetrahydroxy-5α-spirostan-12-one SMILES C[C@@H]({26}CO)CC{22}[C@]5(O)OC4CC3C2CCC1C{3}[C@@H](O){2}[C@H](O)C[C@]1(C)C2CC(=O)[C@]3(C)C4[C@H]5C 1 compound(s) in CSDB (view)
25R-2α,3β,22,26-tetrahydroxy-5α-spirostan-9-en-12-one SMILES C[C@@H]({26}CO)CC{22}[C@]5(O)OC4CC3C2CCC1C{3}[C@@H](O){2}[C@H](O)C[C@]1(C)/C2=C\C(=O)[C@]3(C)C4[C@H]5C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H](CO)CC[C@]5(O)OC4CC3C2CCC1C[C@@H](O)[C@H](O)C[C@]1(C)/C2=C\C(=O)[C@]3(C)C4[C@H]5C$
25R-5α-spirostan-2α,3β,12β-triol SMILES CC1CCC6(CC1)CC5CC4C3CCC2C{3}[C@@H](O){2}[C@H](O)C[C@]2(C)C3C{12}[C@@H](O)[C@]4(C)C5[C@H]6C 1 compound(s) in CSDB (view)
spirosta-5,25(27)-diene-1β,3β,23,24-tetrol 23,24-dihydroxyneoruscogenin SMILES C=C6CO[C@@]5(O[C@H]4C[C@H]3[C@@H]2C/C=C\1C{3}[C@@H](O)C{1}[C@@H](O)[C@]1(C)[C@H]2CCC3(C)C4[C@@H]5C){23}C(O){24}C6O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C6CO[C@@]5(O[C@H]4C[C@H]3[C@@H]2C/C=C\1C[C@@H](O)C[C@@H](O)[C@]1(C)[C@H]2CCC3(C)C4[C@@H]5C)C(O)C6O$
22S,25S-furospirost-5-en-3β,26-diol nuatigenin SMILES C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@](C)({26}CO)O3)C[C@@H]4[C@]2(C)CC[C@H]5[C@H]4CC=C6[C@]5(C)CC{3}[C@H](O)C6 11 compound(s) in CSDB (view)
spirost-5-en-3,25S-diol isonuatigenin SMILES [H][C@]1(O[C@@]2(OC{25}[C@@](C)(O)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 2 compound(s) in CSDB (view)
25S-15-oxo-18-nor-spirost-5,13-dien-1β,3β,21,23S,24R-pentol trillenogenin SMILES C[C@H]1CO[C@@]2({23}[C@@H](O){24}[C@@H]1O)[C@@H]({21}CO)[C@H]3[C@H](C(C4=C3CC[C@H]5[C@H]4CC=C6[C@]5(C){1}[C@H](O)C{3}[C@H](O)C6)=O)O2 2 compound(s) in CSDB (view)
25S-15-oxo-18-nor-spirost-5,13-dien-1β,3β,21,23S,24S-pentol epitrillenogenin SMILES C[C@H]1CO[C@@]2({23}[C@@H](O){24}[C@H]1O)[C@@H]({21}CO)[C@H]3[C@H](C(C4=C3CC[C@H]5[C@H]4CC=C6[C@]5(C){1}[C@H](O)C{3}[C@H](O)C6)=O)O2 3 compound(s) in CSDB (view)
25S-15-oxo-18-nor-spirost-5,13-dien-1β,3β,23S,24S-tetrol 21-deoxytrillenogenin SMILES C[C@H]1CO[C@@]2({23}[C@@H](O){24}[C@@H]1O)[C@@H](C)[C@H]3[C@H](C(C4=C3CC[C@H]5[C@H]4CC=C6[C@]5(C){1}[C@H](O)C{3}[C@H](O)C6)=O)O2 4 compound(s) in CSDB (view)
(23R,25R)-spirost-5-ene-1,3,23-triol SMILES C[C@H]6CCC5(OC4CC3C2C/C=C\1C{3}[C@@H](O)C{1}[C@@H](O)[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C){23}[C@@H](O)C6 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]6CCC5(OC4CC3C2C/C=C\1C[C@@H](O)C[C@@H](O)[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C)[C@@H](O)C6$
5α-spirost-25(27)-en-1β,3α-diol SMILES C=C1CCC6(OC1)OC5CC4C3CCC2C{3}[C@H](O)C{1}[C@@H](O)[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C 4 compound(s) in CSDB (view)
5α-furost-25(27)-en-1β,3α,4α-triol SMILES C=C1CCC6(OC1)OC5CC4C3CCC2{4}[C@H](O){3}[C@H](O)C{1}[C@@H](O)[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C 1 compound(s) in CSDB (view)
25S-5α-spirostan-1β,3α-diol SMILES C[C@@H]1CCC6(OC1)OC5CC4C3CCC2C{3}[C@H](O)C{1}[C@@H](O)[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C 1 compound(s) in CSDB (view)
5α-spirost-25(27)-en-1β,3β-diol SMILES C=C1CCC6(OC1)OC5CC4C3CCC2C{3}[C@@H](O)C{1}[C@@H](O)[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C 1 compound(s) in CSDB (view)
(20R,25R)-spirost-5-ene-3β-ol SMILES C[C@@H]1CC[C@@]6(OC1)OC5CC4C3C/C=C\2C{3}[C@@H](O)CC[C@]2(C)C3CC[C@]4(C)C5[C@H]6C 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H]1CC[C@@]6(OC1)OC5CC4C3C/C=C\2C[C@@H](O)CC[C@]2(C)C3CC[C@]4(C)C5[C@H]6C$
(20L,25R)-spirost-5-ene-3β-ol SMILES C[C@@H]1CC[C@@]6(OC1)OC5CC4C3C/C=C\2C{3}[C@@H](O)CC[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H]1CC[C@@]6(OC1)OC5CC4C3C/C=C\2C[C@@H](O)CC[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C$
spirosta-5,20-diene-3β-ol SMILES C=C5C4C(CC3C2C/C=C\1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)O[C@]56CC[C@@H](C)CO6 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C5C4C(CC3C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)O[C@]56CC[C@@H](C)CO6$
(23S,24S,25S)-spirost-5-en-1β,3β,23,24-tetrol SMILES C[C@H]6COC5(OC4CC3C2C/C=C\1C{3}[C@@H](O)C{1}[C@@H](O)[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C){23}[C@@H](O){24}[C@H]6O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]6COC5(OC4CC3C2C/C=C\1C[C@@H](O)C[C@@H](O)[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C)[C@@H](O)[C@H]6O$
25R-5α-spirostane-2α,3β,5-triol SMILES C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]3[C@H](C[C@@H]4[C@]3(C)CC[C@H]5[C@H]4CC{5}[C@]6(O)[C@]5(C)C{2}[C@@H](O){3}[C@H](O)C6)O2 1 compound(s) in CSDB (view)
(25R)-3β-hydroxy-5β-spirostan-12-one SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@@H](C)[C@@]1([C@]34C)[H])C[C@@]3([H])[C@]5([H])CC[C@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC4=O 2 compound(s) in CSDB (view)
(25R)-5β-spirostan-3β-ol SMILES [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC[C@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 3 compound(s) in CSDB (view)
(3β,5α,25S)-3-hydroxyspirostan-12-one SMILES C[C@H]1CC[C@@]6(OC1)O[C@H]5C[C@H]4[C@@H]3CC[C@H]2C{3}[C@@H](O)CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@H]5[C@@H]6C 2 compound(s) in CSDB (view)
25R-spirost-5-en-3β,23S-diol SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C{3}[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12OC[C@H](C)C{23}[C@@H]2O 3 compound(s) in CSDB (view)
spirosta-5,25(27)-diene-1β,2α,3β,12β-tetrol SMILES C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C{3}[C@@H](O){2}[C@H](O){1}[C@@H](O)[C@]5(C)[C@H]4C{12}[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C 1 compound(s) in CSDB (view)
16-hydroxyisopimar-7-en-19-oic acid SMILES C[C@]1({19}C(O)=O)CCC[C@@]2(C)[C@H]1CC=C3[C@@H]2CC[C@](C)(C{16}CO)C3 7 compound(s) in CSDB (view)
7-oxo-isopimara-8,15-diene-2α,3β,19β-triol virescenoside M aglycon SMILES C[C@]1(C=C)CCC([C@@](C{3}[C@H]({2}[C@H](O)[C@]2(C){19}CO)O)(C2CC3=O)C)=C3C1 2 compound(s) in CSDB (view)
isopimara-7,15-diene-2α,3β,6β,19-tetrol virescenoside N aglycon SMILES C[C@]1(C=C)CCC2[C@@](C{3}[C@H]({2}[C@H](O)[C@]3(C){19}CO)O)(C3{6}[C@@H](C=C2C1)O)C 2 compound(s) in CSDB (view)
isopimara-7,15-diene-2α,3β,6α,19-tetrol virescenoside W aglycon SMILES C[C@]1(C=C)CCC2[C@@](C{3}[C@H]({2}[C@H](O)[C@]3(C){19}CO)O)(C3{6}[C@H](C=C2C1)O)C 2 compound(s) in CSDB (view)
19-hydroxyisopimara-7,15-dien-3-one SMILES C=C[C@@]3(C)CC[C@H]1/C(=C\CC2[C@@](C)({19}CO)C(=O)CC[C@]12C)C3 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C[C@@]3(C)CC[C@H]1/C(=C\CC2[C@@](C)(CO)C(=O)CC[C@]12C)C3$
hosenkol A SMILES C[C@]([C@@]1([H])CC[C@]23C)([C@@]2([H])CC[C@]4([H]){17}[C@@H](O)[C@](CC[C@]43C)(CO5)CC[C@@]5([H])[C@@H](C){26}CO)CC{3}[C@H](O)[C@]1({28}CO)C 5 compound(s) in CSDB (view)
hosenkol B SMILES C[C@]([C@@]1([H])CC[C@]23C)([C@@]2([H])CC[C@]4([H]){17}[C@@H](O)[C@](CC[C@]43C)(CO5)CC[C@]5([H])[C@H](C){26}CO)CC{3}[C@H](O)[C@]1({28}CO)C 4 compound(s) in CSDB (view)
hosenkol C SMILES C[C@]([C@@]1([H])CC[C@]23C)([C@@]2([H])CC[C@]4([H]){17}[C@@H](O)[C@](CC[C@]43C)(CO)CC/C=C(C)\{26}CO)CC{3}[C@H](O)[C@]1({28}CO)C 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]([C@@]1([H])CC[C@]23C)([C@@]2([H])CC[C@]4([H])[C@@H](O)[C@](CC[C@]43C)(CO)CC/C=C(C)\CO)CC[C@H](O)[C@]1(CO)C$
hecogenin SMILES C[C@@H]1CC[C@]2(O[C@@]3([H])C[C@@]([C@@]4(C)[C@@]3([H])[C@@H]2C)([H])[C@]5([H])CC[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC4=O)OC1 9 compound(s) in CSDB (view)
neohecogenin SMILES C[C@]12CC{3}[C@H](O)C[C@]1([H])CC[C@]3([H])[C@@]2(CC([C@@]4(C)[C@@]3([H])C[C@@]5(C)[C@]4([H])[C@H](C)[C@@]6(O5)OC[C@@H](C)CC6)=O)[H] 3 compound(s) in CSDB (view)
22S-3β,16α,29-trihydroxy-cycloart-24-en-26,22-olide SMILES CC1=CC[C@@H]([C@@H](C)C2{16}[C@H](O)C[C@@]3(C)C4CCC5[C@](C)({29}CO){3}[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O 2 compound(s) in CSDB (view)
21S,22S,23R,3β,21α,22β,30-tetrahydroxy-21,23-epoxycycloart-24-ene SMILES CC(C)=C[C@H]1O{21}[C@@H](O)[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@@](C)({30}CO){3}[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C){22}[C@@H]1O 1 compound(s) in CSDB (view)
cycloarta-22,24-dien-27-oic acid SMILES C/C(=C\C=C\[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C){3}[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C){27}C(=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\C=C\[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O$
1α,3β,16β,24ξ,31-pentahydroxy-24ξ-methylcycloartan-28-oic acid SMILES CC(C){24}C(O)({31}CO)CC[C@@H](C)[C@H]1{16}[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)({28}C(=O)O){3}[C@@H](O)C{1}[C@H](O)[C@@]45C[C@@]35CC[C@]12C 4 compound(s) in CSDB (view)
1α,3β,24ξ,31-tetrahydroxy-24ξ-methyl-cycloartan-28-oic acid SMILES CC(C){24}C(O)({31}CO)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)({28}C(=O)O){3}[C@@H](O)C{1}[C@H](O)[C@@]45C[C@@]35CC[C@]12C 4 compound(s) in CSDB (view)
1α,3β,16α,24ξ,31-pentahydroxy-24ξ-methylcycloartan-28-oic acid SMILES CC(C){24}C(O)({31}CO)CC[C@@H](C)[C@H]1{16}[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)({28}C(=O)O){3}[C@@H](O)C{1}[C@H](O)[C@@]45C[C@@]35CC[C@]12C 4 compound(s) in CSDB (view)
22R-21R,23R-epoxy-cycloart-24-en-3β,21,22,30-tetrol SMILES C[C@]1({30}CO){3}[C@@H](O)CC[C@]2(C3)[C@]43CC[C@]5(C)[C@@H]([C@H]({21}[C@H](O)O6){22}[C@@H](O)[C@H]6/C=C(C)\C)CC[C@](C)5[C@]4([H])CC[C@@]12[H] 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]1(CO)[C@@H](O)CC[C@]2(C3)[C@]43CC[C@]5(C)[C@@H]([C@H]([C@H](O)O6)[C@@H](O)[C@H]6/C=C(C)\C)CC[C@](C)5[C@]4([H])CC[C@@]12[H]$
22R-21S,23R-epoxy-cycloart-24-en-3β,21,22,30-tetrol SMILES C[C@]1({30}CO){3}[C@@H](O)CC[C@]2(C3)[C@]43CC[C@]5(C)[C@@H]([C@H]({21}[C@@H](O)O6){22}[C@@H](O)[C@H]6/C=C(C)\C)CC[C@](C)5[C@]4([H])CC[C@@]12[H] 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]1(CO)[C@@H](O)CC[C@]2(C3)[C@]43CC[C@]5(C)[C@@H]([C@H]([C@@H](O)O6)[C@@H](O)[C@H]6/C=C(C)\C)CC[C@](C)5[C@]4([H])CC[C@@]12[H]$
camelliagenin E SMILES C[C@@]1(C=O){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@@]5([H])CC(C)(C){21}[C@@H](O){22}[C@H](O)[C@@]({28}CO)5{16}[C@H](O)C[C@](C)4[C@@](C)3CCC12 3 compound(s) in CSDB (view)
11-deoxoglabrolide SMILES C[C@]12CC{3}[C@H](O)C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)CC[C@]5(C)[C@H]4C[C@]6(C)C[C@H]5OC6=O 2 compound(s) in CSDB (view)
19-oxo-card-20(22)-enolide-3β,5β,14β-triol strophanthidin SMILES C[C@]12CC[C@H]3[C@@H](CC{5}[C@@]4(O)[C@]3(C=O)CC{3}[C@H](O)C4){14}[C@@]1(O)CC[C@@H]2C5=CC(OC5)=O 14 compound(s) in CSDB (view)
19-oxo-card-20(22)-enolide-3β,14β-diol cannogenin SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@]4([H])[C@]3(C=O)CC{3}[C@H](O)C4){14}[C@@]1(O)CC[C@@H]2C5=CC(OC5)=O 8 compound(s) in CSDB (view)
3β,12β,14-trihydroxy-5β-card-20(22)-enolide = 12β-hydroxydigitoxigenin digoxigenin SMILES O=C1OCC([C@H]2CC{14}[C@]3(O)[C@]4([H])CC[C@]5([H])C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])C{12}[C@@H](O)[C@]23C)=C1 5 compound(s) in CSDB (view)
3β,5,11α,14-tetrahydroxy-5β-card-20(22)-enolide bipindogenin SMILES C[C@]12CC{3}[C@H](O)C{5}[C@@]1(O)CC[C@@H]3[C@@H]2{11}[C@H](O)C[C@@]4(C){14}[C@]3(O)CC[C@@H]4C5=CC(OC5)=O 1 compound(s) in CSDB (view)
3β,14β,16β-trihydroxy-5β-card-20(22)-enolide gitoxigenin SMILES O=C1OCC([C@H]2{16}[C@@H](O)C{14}[C@]3(O)[C@]4([H])CC[C@]5([H])C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]23C)=C1 14 compound(s) in CSDB (view)
3β,14β-dihydroxy-5β-carda-16,20(22)-dienolide Δ16-digitoxigenin SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)C(C(CO5)=CC5=O)=CC{14}[C@]4(O)[C@]3([H])CC[C@@]([H])2C1 10 compound(s) in CSDB (view)
16α-neoquassin derivative SMILES C[C@@H]1C=C(OC)C([C@@]2(C)[C@H]1C[C@@H]3[C@]4(C)[C@@H]2{11}[C@@H](C(OC)C(C)[C@@H]4C{16}[C@H](O)O3)O)=O 1 compound(s) in CSDB (view)
lupa-12,20(29)-dien-3,28-diol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@@]5([H])[C@H](C(C)=C)CC[C@@]({28}CO)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
lup-20(29)-en-3α-ol-23,28-dioic acid SMILES C[C@@]1({23}C(O)=O){3}[C@H](O)CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 3 compound(s) in CSDB (view)
lup-20(29)-en-3α,11α,23-triol-28-oic acid SMILES C[C@@]1({23}CO){3}[C@H](O)CC[C@]2(C)[C@@]3([H]){11}[C@H](O)C[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
3-oxo-lup-20(29)-en-1β,11α-diol-28-oic acid SMILES CC1(C)C(C{1}[C@@H](O)[C@]2(C)[C@@]3([H]){11}[C@H](O)C[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H])=O 1 compound(s) in CSDB (view)
taraxastane-3β,16β,20β-triol SMILES O{3}[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2CC=C4[C@]3(C{16}[C@@H]([C@@]5(C4[C@@H]({20}[C@](C)(CC5)O)C)C)O)C)C)C 2 compound(s) in CSDB (view)
taraxastane-3β,20β,28-triol SMILES O{3}[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4[C@@H]({20}[C@](C)(CC5)O)C){28}CO)C)C)C 2 compound(s) in CSDB (view)
digitoxigenin SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](C(CO5)=CC5=O)CC{14}[C@]4(O)[C@]3([H])CC[C@@]([H])2C1 44 compound(s) in CSDB (view)
11α-hydroxydigitoxigenin sarmentogenin SMILES C[C@]12CC{3}[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2{11}[C@H](O)C[C@@]4(C){14}[C@]3(O)CC[C@@H]4C5=CC(OC5)=O 2 compound(s) in CSDB (view)
5β-hydroxydigitoxigenin periplogenin SMILES O=C1OCC([C@@H](CC2)[C@]3(C){14}[C@@]2(O)[C@@H]4CC{5}[C@](C{3}[C@H](CC5)O)(O)[C@@]5(C)[C@H]4CC3)=C1 5 compound(s) in CSDB (view)
8β-hydroxydigitoxigenin SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](C(CO5)=CC5=O)CC[C@@]4([H]){8}[C@]3(O)CC[C@@]([H])2C1 1 compound(s) in CSDB (view)
12β,16β-dihydroxydigitoxigenin SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4(C)[C@@H](C(CO5)=CC5=O){16}[C@@H](O)C{14}[C@]4(O)[C@]3([H])CC[C@@]([H])2C1 1 compound(s) in CSDB (view)
Δ16-8β-hydroxydigitoxigenin SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)C(C(CO5)=CC5=O)=CC[C@@]4([H]){8}[C@]3(O)CC[C@@]([H])2C1 2 compound(s) in CSDB (view)
oleandrigenin SMILES O{3}[C@H]1CC[C@@]2(C)[C@@](CC[C@]3([H])[C@]2([H])CC[C@@]4(C){14}[C@]3(O)C[C@H](OC(C)=O)[C@@H]4C(CO5)=CC5=O)([H])C1 24 compound(s) in CSDB (view)
5α-oleandrigenin SMILES O{3}[C@H]1CC[C@@]2(C)[C@](CC[C@]3([H])[C@]2([H])CC[C@@]4(C){14}[C@]3(O)C[C@H](OC(C)=O)[C@@H]4C(CO5)=CC5=O)([H])C1 3 compound(s) in CSDB (view)
uzarigenin SMILES O{3}[C@H]1CC[C@@]2(C)[C@](CC[C@]3([H])[C@]2([H])CC[C@@]4(C){14}[C@]3(O)CC[C@@H]4C(CO5)=CC5=O)([H])C1 11 compound(s) in CSDB (view)
neriumogenin A SMILES O{3}[C@H]1CC[C@@]2(C)[C@@](CCC3=C2CC[C@@]4(C)C3=CC=C4C({21}[CH](O)O5)=CC5=O)([H])C1 4 compound(s) in CSDB (view)
neriumogenin B SMILES O{3}[C@H]1CC[C@@]2(C)[C@@](CCC3=C2CC[C@@]4(C)C3=CC=C4C(CO5)=CC5=O)([H])C1 3 compound(s) in CSDB (view)
gymnemagenin SMILES O{22}[C@@H]1[C@@]({16}[C@@H](O)C2)({28}CO)[C@](CC(C)(C){21}[C@H]1O)([H])C3=CC[C@@]([C@](CC{3}[C@@H]4O)(C)[C@]5([H])[C@]4(C){23}CO)([H])[C@](CC5)(C)[C@@]32C 7 compound(s) in CSDB (view)
gymnestrogenin SMILES C[C@]12CC{3}[C@H](O)[C@@](C)({23}CO)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)C{16}[C@H](O)[C@]5({28}CO)[C@H]4CC(C)(C){21}[C@@H](O)C5 1 compound(s) in CSDB (view)
α-ilexanolic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=CC4=C[C@]({28}C(O)=O)(CC[C@H](C(C)=O)C)CC[C@](C)4[C@@](C)3CC[C@@]12[H] 3 compound(s) in CSDB (view)
β-ilexanolic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)C4=C[C@]({28}C(O)=O)(CC[C@H](C(C)=O)C)CC[C@](C)4[C@@](C)3CC[C@@]12[H] 3 compound(s) in CSDB (view)
ilexosapogenin A SMILES CC1(C)CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@H]1O)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)[C@]5({23}CO)C 4 compound(s) in CSDB (view)
ilexosapogenin B SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC=C([C@@H]4[C@H]5C)[C@@]3(C)CC[C@@]4(C(O)=O)CC[C@H]5{30}CO 1 compound(s) in CSDB (view)
spathodic acid SMILES CC1(C)CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@H]1O)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)[C@@]5({24}CO)C 1 compound(s) in CSDB (view)
4-epihederagenin SMILES CC1(C)CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2C1)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)[C@@]5({24}CO)C 6 compound(s) in CSDB (view)
bredemolic acid SMILES C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C){28}C(=O)O)C)(C{2}[C@@H]({3}[C@H](C3(C)C)O)O)C
15-hydroxy-2-oxy-19-norkaur-16-en-18-oic acid SMILES C=C([C@H](CC1)C2){15}C(O)[C@@]32CC[C@]4([H])[C@H]({18}C(O)=O)CC(C[C@@]4(C)[C@@]31[H])=O 1 compound(s) in CSDB (view)
16β,17-dihydroxy-ent-kaurane-19-oic acid SMILES O{17}C{16}[C@@]1(O)[C@@H]2C[C@]3(CC[C@]4([C@](C)(CCC[C@@]4([C@]3(CC2)[H])C){19}C(O)=O)[H])C1 1 compound(s) in CSDB (view)
sandaracopimara-8(14),15-diene-3β,7α,19-triol SMILES C[C@@]1(CCC(C2=C1)[C@@](C)(CCC([C@@]3({19}CO)C)O)C3C[C@H]2O)C=C 2 compound(s) in CSDB (view)
7-oxoisopimara-8(9),15-diene-3β,19β-diol SMILES C[C@](C1)(C=C)CCC([C@@](C2C3)(C)CC{3}C(O)[C@]2(C){19}CO)=C1C3=O 6 compound(s) in CSDB (view)
isopimara-7,15-diene-3β,19-diol SMILES C[C@](C1)(C=C)CCC2C1=CCC3[C@]2(C)CC{3}C(O)[C@]3(C){19}CO 11 compound(s) in CSDB (view)
isopimara-7,15-diene-2α,3β,19-triol SMILES C[C@@]1(CCC2[C@@](C)(C[C@@H](O)[C@@H]([C@@]3({19}CO)C)O)C3CC=C2C1)C=C 8 compound(s) in CSDB (view)
3-oxo-isopimara-7(8),15-diene-19-ol SMILES C[C@@]1(CCC2[C@@](C)(CCC([C@@]3({19}CO)C)=O)C3CC=C2C1)C=C 5 compound(s) in CSDB (view)
3-oxo-isopimara-8(14),15-diene-7α,19-diol SMILES C[C@]1(C=C)CCC2[C@@](CCC([C@]3(C){19}CO)=O)(C3C[C@@H](O)C2=C1)C 2 compound(s) in CSDB (view)
3,7-dioxo-isopimara-8(9),15-diene-19-ol SMILES C[C@@]({19}CO)(C1C2)C(CC[C@]1(C)C3=C(C[C@@](C=C)(CC3)C)C2=O)=O 2 compound(s) in CSDB (view)
3,7-dioxo-isopimara-8(14),15-diene-19-ol SMILES C[C@@]({19}CO)(C1C2)C(CC[C@]1(C)C3CC[C@](C)(C=C)C=C3C2=O)=O 2 compound(s) in CSDB (view)
20,25-epoxy-3β,6α-dihydroxycycloartane-16β,24α-diol SMILES C[C@@]6(C)O[C@@](C)([C@H]4{16}[C@@H](O)C[C@@]5(C)C2C{6}[C@H](O)C1[C@@](C)(C){3}[C@@H](O)CC[C@@]13C[C@@]23CC[C@]45C)CC{24}[C@@H]6O 3 compound(s) in CSDB (view)
3β,23-dihydroxy-lup-20(29)-en-28-oic acid SMILES C=C(C)[C@@H]4CCC5({28}C(=O)O)CC[C@@]3(C)C2CCC1C(CC{3}C(O)[C@@]1(C){23}CO)C2CCC3C45 1 compound(s) in CSDB (view)
3β,6α,16β,25-tetrahydroxycycloartane SMILES C[C@](C)(C)C6CC[C@](C)([C@H]1{16}[C@@H](O)C[C@]4(C)C1CC[C@@]25C[C@@]23CC{3}[C@H](O)[C@](C)(C)C3{6}[C@@H](O)CC45)O6 3 compound(s) in CSDB (view)
3β,6α,16β,24(S),25-pentahydroxycycloartane SMILES C[C@H](CC{24}[C@@H](O){25}C(C)(C)O)C4{16}[C@@H](O)C[C@@]5(C)C2C{6}[C@H](O)C1[C@@](C)(C){3}[C@@H](O)CC[C@@]13C[C@@]23CC[C@]45C 12 compound(s) in CSDB (view)
16-hydroxynorisopimar-7-en-4-ol SMILES C[C@@]12[C@](CC=C3[C@]2([H])CC[C@](C)(C{16}CO)C3)([H]){4}[C@](C)(O)CCC1 4 compound(s) in CSDB (view)
15,16-dihydroxyisopimar-7-en-19-oic acid SMILES C[C@]1({19}C(O)=O)CCC[C@@]2(C)[C@H]1CC=C3[C@@H]2CC[C@](C)({15}C(O){16}CO)C3 2 compound(s) in CSDB (view)
16-hydroxyisopimar-6,8(14)-dien-19-oic acid SMILES C[C@@]12[C@](C=CC3=C[C@@](C)(C{16}CO)CC[C@@]32[H])([H])[C@]({19}C(O)=O)(C)CCC1 2 compound(s) in CSDB (view)
3β,20-dihydroxylupan-28-oic acid SMILES C{20}C(C)(O)[C@@H]4CCC5({28}C(=O)O)CCC3(C)C(CCC2C1(C)CC{3}[C@H](O)[C@](C)(C)C1CCC23C)C45 2 compound(s) in CSDB (view)
spinasta-7,22-diene SMILES CC(C)[C@H](C)/C=C/C(C)C4CCC3/C2=C/CC1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@@]34C 4 compound(s) in CSDB (view)
13-ent-labdadien-16,15-olid-19-oic acid SMILES C=C2CCC1[C@](C)({19}C(=O)O)CCC[C@@]1(C)[C@@H]2CC/C3=C/COC3=O 1 compound(s) in CSDB (view)
3α,11α-dihydroxy-lup-20(29)-en-28-oic acid SMILES C=C(C)[C@@H]4CC[C@]5({28}C(=O)O)CC[C@]3(C)C(C{11}[C@@H](O)C2[C@@]1(C)CC{3}[C@@H](O)[C@](C)(C)C1CC[C@]23C)C45 1 compound(s) in CSDB (view)
4β,27-dihydroxy-1-oxo-5β,6β-epoxywitha-2,24-dienolide withaferin A SMILES O=C1[C@@]2(C)[C@@]([C@H]3C[C@]4([H])[C@]2([H])CC[C@@]5(C)[C@@]4([H])CC[C@]5([H])[C@@]([H])([C@]6([H])OC(C({27}CO)=C(C)C6)=O)C)(O3){4}[C@@H](O)C=C1 2 compound(s) in CSDB (view)
1α,3β,14α,20-tetrahydroxy-20R,22R-witha-5,24-dienolide SMILES CC1=C(C)C(=O)O[C@@H]({20}[C@](C)(O)C2CC{14}[C@@]3(O)[C@@H]4CC=C5C{3}[C@@H](O)C{1}[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1 1 compound(s) in CSDB (view)
1α,3β,27-trihydroxy-20S,22R-witha-5,24-dienolide SMILES CC1=C({27}CO)C(=O)O[C@@H]([C@@H](C)C2CC[C@H]3[C@@H]4CC=C5C{3}[C@@H](O)C{1}[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1 1 compound(s) in CSDB (view)
3β,20,27-trihydroxy-1-oxo-20R,22R-witha-5,24-dienolide SMILES CC1=C({27}CO)C(=O)O[C@@H]({20}[C@](C)(O)C2CC[C@H]3[C@@H]4CC=C5C{3}[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 1 compound(s) in CSDB (view)
3β,14α,20,27-tetrahydroxy-1-oxo-20R,22R-witha-5,24-dienolide SMILES CC1=C({27}CO)C(=O)O[C@@H]({20}[C@](C)(O)C2CC{14}[C@@]3(O)[C@@H]4CC=C5C{3}[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 1 compound(s) in CSDB (view)
14R,17S,20ζ,22R-14,20-epoxy-1-oxo-witha-5,24-dien-3β,15α,17-triol-olide SMILES CC1=C(C)C(O[C@@H]([C@]({17}[C@]2(O)C{15}[C@H](O)[C@]34[C@]2(C)CC[C@H]5[C@@]3([H])CC=C6[C@]5(C)C(C{3}[C@H](O)C6)=O)(O4)C)C1)=O 3 compound(s) in CSDB (view)
22R-witha-5,24-dien-1α,3β,20R-triol-olide SMILES O{1}[C@H]1C{3}[C@H](O)CC2=CC[C@@]3([H])[C@]4([H])CC[C@@]({20}[C@@]([H])(O)[C@@]5([H])CC(C)=C(C)C(O5)=O)([H])[C@@]4(C)CC[C@]3([H])[C@]21C 2 compound(s) in CSDB (view)
14R,20ζ,22R-1-oxo-witha-5,24-dien-3β,14,20-triol-olide SMILES CC1=C(C)C(O[C@@H]({20}[C@@]([C@@]2([H])CC{14}[C@]3(O)[C@]2(C)CC[C@H]4[C@@]3([H])CC=C5[C@]4(C)C(C{3}[C@H](O)C5)=O)(O)C)C1)=O 1 compound(s) in CSDB (view)
(8R,10S)-3β,6β,9α-trihydroxy-labda-13Z-en-16,15-olide SMILES C[C@@H]1C{3}[C@@H](O)[C@H]2C(C)(C){6}[C@@H](O)CC[C@]2(C){9}[C@@]1(O)CCC1=CCOC1=O 1 compound(s) in CSDB (view)
3α,11α-dihydroxylup-20(29)-en-28-oic acid SMILES C=C(C)[C@@H]1CC[C@]2({28}C(=O)O)CC[C@]3(C)[C@H](C{11}[C@@H](O)[C@@H]4[C@@]5(C)CC{3}[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 2 compound(s) in CSDB (view)
3α,11α-dihydroxylup-23-al-20(29)-en-28-oic acid SMILES C=C(C)[C@@H]1CC[C@]2({28}C(=O)O)CC[C@]3(C)[C@H](C{11}[C@@H](O)[C@@H]4[C@@]5(C)CC{3}[C@@H](O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]12 1 compound(s) in CSDB (view)
campesterol SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C1 4 compound(s) in CSDB (view)
brassicasterol SMILES C[C@]12C(C{3}[C@@H](O)CC2)=CC[C@]3([H])[C@]1([H])CC[C@@]4(C)[C@@]3([H])CC[C@@H]4[C@@H](/C=C/[C@H](C)C(C)C)C 4 compound(s) in CSDB (view)
cholesterol SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC{3}[C@@H](C4)O)C)C 26 compound(s) in CSDB (view)
20S-isocholesterol SMILES CC(CCC[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C{3}[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O)C)C 2 compound(s) in CSDB (view)
ergosterol SMILES O{3}[C@@H]4C/C3=C/C=C1\[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@H](C)C(C)C)C)C)[C@@]3(C)CC4 13 compound(s) in CSDB (view)	$Subst // Subst = SMILES O[C@@H]4C/C3=C/C=C1\[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@H](C)C(C)C)C)C)[C@@]3(C)CC4$
β-sitosterol SMILES O{3}[C@H](C1)CC[C@@]2(C)C1=CC[C@]3([H])[C@@]2([H])CC[C@@]4(C)[C@]3([H])CC[C@]4([C@@H](C)CC[C@@H](CC)C(C)C)[H] 42 compound(s) in CSDB (view)
stigmasterol SMILES CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC{3}[C@@H](C4)O)C)C)C(C)C 11 compound(s) in CSDB (view)
testosterol SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C{3}C(O)CC[C@]34C 2 compound(s) in CSDB (view)
15-deoxoeucosterol SMILES CCC([C@H](C[C@H]1C)O[C@]21CC[C@@]([C@]2(C)CC3)(C)C4=C3[C@]5(C)[C@](CC4)([H])[C@]({29}CO)(C){3}[C@@H](O)CC5)=O 3 compound(s) in CSDB (view)
22-dihydroergosterol SMILES CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2 compound(s) in CSDB (view)
3β,26-dihydroxycholest-5-en-16,22-dione kryptogenin = cryptogenin SMILES C[C@H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC{3}[C@@H](C4)O)C)C){26}CO 1 compound(s) in CSDB (view)
3β,7β,16β-trihydroxycholest-5-en-23-one SMILES CC(C)CC(C[C@@H](C)[C@H]1{16}[C@@H](O)C[C@@]2([H])[C@]3([H]){7}[C@@H](O)C=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O 2 compound(s) in CSDB (view)
1β,3β,16β-trihydroxy-5α-cholesta-7,23-dione SMILES C[C@]12C(C3C(CC4C{3}[C@H](C{1}[C@H]([C@@]4(C3CC2)C)O)O)=O)C{16}[C@@H](C1[C@@H](CC(CC(C)C)=O)C)O 1 compound(s) in CSDB (view)
16β,22S-dihydroxycholest-4-en-3-one SMILES CC(C)CC{22}[C@H](O)[C@@H](C)[C@H]1{16}[C@@H](O)C[C@@]2([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O 1 compound(s) in CSDB (view)
25R-cholest-5-en-3β,16β,22,22',26-pentol SMILES C[C@@H]({26}CO)CC{22}C(O)(O)[C@@H](C)[C@H]1{16}[C@@H](O)C[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 2 compound(s) in CSDB (view)
cholest-5-ene-3β,16β,22S-triol SMILES CC(C)CC{22}[C@H](O)[C@@H](C)[C@H]1{16}[C@@H](O)C[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 2 compound(s) in CSDB (view)
cholest-5-ene-1β,3β,16β,22S-tetrol SMILES CC(C)CC{22}[C@H](O)[C@@H](C)[C@H]1{16}[C@@H](O)C[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)C{1}[C@@H](O)[C@]4(C)[C@@]3([H])CC[C@]12C 15 compound(s) in CSDB (view)
17(20)-dehydrocryptogenin SMILES C[C@H](CCC(=O)/C(=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC{3}[C@@H](C4)O)C)C)/C){26}CO 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H](CCC(=O)/C(=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)/C)CO$
5α,22R,25S-6-oxo-22,26-epoxycholestan-3β,26R-diol osladin aglycon SMILES C[C@H]({26}[C@H](O)O1)CC[C@@H]1[C@@H](C)[C@H]2CC[C@@]3([H])[C@]4([H])CC([C@@]5([H])C{3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]23C)=O 1 compound(s) in CSDB (view)
3β,16α-dihydroxy-26-amino-5α,25ξ-cholestan-22-one SMILES CC({26}CN)CCC([C@@H](C)[C@H]1{16}[C@H](O)C[C@@]2([H])[C@]3([H])CC[C@@]4([H])C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O 3 compound(s) in CSDB (view)
16α,26-dihydroxycholest-4-ene-3,22-dione tumascone B SMILES CC({26}CO)CCC(=O)[C@@H](C)C4{16}[C@H](O)CC3C2CC/C1=C/C(=O)CC[C@]1(C)C2CC[C@@]34C 2 compound(s) in CSDB (view)
5α,22R,25S-6-oxo-22,26-epoxycholestan-7-en-3β,26R-diol SMILES C[C@H]5CC[C@H]([C@@H](C)[C@H]4CC[C@H]3/C2=C/C(=O)[C@H]1C{3}[C@@H](O)CC[C@]1(C)[C@H]2CCC34C)O{26}[C@H]5O 2 compound(s) in CSDB (view)
22E,24R-3-hydroxy-24-methylcholesta-5,22-diene SMILES C[C@@H]([C@@H](CC1)[C@](CC2)(C)C1C(CC3)C2[C@]4(C)C3C{3}[C@@H](O)CC4)/C=C/[C@H](C)C(C)C 1 compound(s) in CSDB (view)
5α,8α-epidioxy-24(R)-methylcholesta-6,22-dien SMILES CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]3[C@]1(C)CC[C@@H]4[C@@]2(C)CC{3}[C@H](O)C[C@]25CC[C@]34OO5 1 compound(s) in CSDB (view)
cholest-5,24-diene-1β,3β,16β,22S-tetrol SMILES CC(C)=CC{22}[C@H](O)[C@@H](C)[C@H]1{16}[C@@H](O)C[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)C{1}[C@@H](O)[C@]4(C)[C@@]3([H])CC[C@]12C 2 compound(s) in CSDB (view)
24R-ethyl-5α-cholest-7-en-3β-ol SMILES CC(C)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2([H])C3=CC[C@@]4([H])C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 1 compound(s) in CSDB (view)
24β-ethylcholesta-5,22,25-trien-3β-ol SMILES C[C@H](C=C[C@H](CC)C(C)=C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 1 compound(s) in CSDB (view)
(25S)-24R,26-dimethylcholest-5-en-3β-ol aplysterol SMILES CC[C@H](C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC{3}[C@@H](C4)O)C)C 1 compound(s) in CSDB (view)
2α,3β-(22R)-cholestane-6-one-2,3,22-triol SMILES CC(C)CC{22}[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC(C4C{3}[C@@H](O){2}[C@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)=O 1 compound(s) in CSDB (view)
3β,16β,17α-trihydroxycholest-5-en-22-one SMILES CC(C)CCC(=O)[C@@H](C){17}[C@@]1(O){16}[C@@H](O)C[C@H]2[C@@H]3CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1 compound(s) in CSDB (view)
1α,3β,22R-trihydroxyergosta-5,24E-dien-26-oic acid SMILES C/C(C{22}[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)C{1}[C@H](O)[C@]4(C)[C@@]3([H])CC[C@]12C)=C(C)\{26}C(O)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@]3([H])CC[C@]12C)=C(C)\C(O)=O$
(22E)-ergosta-7,22-diene-3β,5α,6β-triol SMILES [H][C@@]12CC[C@]([C@@]1(C)CC[C@@]3([H])C2=C{6}[C@@H](O){5}[C@@]4(O)C{3}[C@@H](O)CC[C@]34C)([H])[C@H](C)/C=C/[C@H](C)C(C)C 3 compound(s) in CSDB (view)
(22E,24R)-5α,8α-epidioxyergosta-6,22-diene-3β-ol SMILES CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]3[C@]1(C)CC[C@@H]4[C@@]2(C)CC{3}[C@H](O)C[C@]25/C=C\[C@]34OO5 5 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]3[C@]1(C)CC[C@@H]4[C@@]2(C)CC[C@H](O)C[C@]25/C=C\[C@]34OO5$
(22E,24R)-5α,8α-epidioxyergosta-6,9,22-triene-3β-ol SMILES O{3}[C@H](C1)CC[C@@]2(C)[C@@]1(OO3)C=C[C@@]43C2=CC[C@@]5(C)[C@@]4([H])CC[C@]5([H])[C@@H](/C=C/[C@H](C)C(C)C)C 3 compound(s) in CSDB (view)
(22E,24R)-ergosta-7,22-dien-3β,5α,6β-triol cerevisterol SMILES CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]4CCC3/C2=C/{6}[C@@H](O){5}[C@@]1(O)C{3}[C@@H](O)CC[C@]1(C)C2CC[C@@]34C 5 compound(s) in CSDB (view)
22,23-dihydroxyergosta-4,6,8(14)-trien-3-one SMILES O=C1CC[C@@]2(C)C(C=CC3=C(CC[C@@H]4[C@@H]({22}C({23}C(O)[C@H](C)C(C)C)O)C)[C@]4(C)CC[C@@]32[H])=C1 1 compound(s) in CSDB (view)
1α,26-dihydroxy-27-oxo-22R,27-epoxyergosta-5,24-dien-3β-ol sominone SMILES C[C@]12C(C{3}[C@@H](O)C{1}[C@@H]2O)=CC[C@]3([H])[C@]1([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@]([H])([C@]5([H])OC(C({27}CO)=C(C)C5)=O)C 2 compound(s) in CSDB (view)
ergosta-7,22-dien-3β-ol SMILES C[C@H](C(C)C)C=C[C@@H](C)[C@H]1CC[C@@]2([H])C3=CCC4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 1 compound(s) in CSDB (view)
ergosta-5,24(28)-dien-3β-ol 24-methylenecholesterol SMILES CC(C)C(CC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=C 1 compound(s) in CSDB (view)
22β,25S-5α-spirosolan-3β-ol tomatidine SMILES C[C@H]1CC[C@@]2(O[C@@]3([H])C[C@@]4([H])[C@]5([H])CC[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)C3[C@@H]2C)NC1 10 compound(s) in CSDB (view)
22α,25R-spirosol-5-en-3β-ol solasodine = purapuridine = solancarpidine SMILES [H][C@]1(O[C@@]2(NC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 24 compound(s) in CSDB (view)
22β,25S-spirosol-5-en-3β-ol 3β-tomatid-5-enol SMILES [H][C@]1(O[C@]2(NC[C@@H](C)CC2)[C@@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 4 compound(s) in CSDB (view)
22β,25R-spirosol-5-en-3β-ol = solasod-5-en-3β-ol 22β-solasodine SMILES [H][C@]1(O[C@]2(NC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 2 compound(s) in CSDB (view)
22α,25R-spirosol-5-en-3β,12β-diol SMILES [H][C@]1(O[C@@]2(NC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])C{12}[C@@H](O)[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
22α,25R-spirosol-5-en-3β,23S-diol SMILES [H][C@]1(O[C@@]2(NC[C@H](C)C{23}[C@@H]2O)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 2 compound(s) in CSDB (view)
22α,25R-spirosol-5-en-3β,12β,27-triol SMILES [H][C@]1(O[C@@]2(NC[C@H]({27}CO)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])C{12}[C@@H](O)[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
demissidine SMILES C[C@@]12[C@@]([H])(C[C@@]3([H])[C@]2([H])[C@H](C)[C@]4([H])N3C[C@@H](C)CC4)[C@@](CC[C@]5([H])[C@@]6(CC{3}[C@H](O)C5)C)([H])[C@]6([H])CC1 8 compound(s) in CSDB (view)
solanid-5-en-3β-ol solanidine SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]5([H])[C@H](C)[C@@]6([H])CC[C@H](C)CN6[C@]([H])5C[C@]([H])4[C@@]([H])3CC=C2C1 CSDB Linear: xXSolanidine 20 compound(s) in CSDB (view)
23O-acetyl-solanid-5-en-3β-ol 23-acetylsolanidine SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]5([H])[C@H](C)[C@@]6([H])C(OC(C)=O)C[C@H](C)CN6[C@]([H])5C[C@]([H])4[C@@]([H])3CC=C2C1 2 compound(s) in CSDB (view)
N-hydroxy-solasodine SMILES [H][C@]1(O[C@@]2(N(O)C[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H] 1 compound(s) in CSDB (view)
solasod-5-en-3β,12β-diol SMILES [H][C@]12C{3}[C@@H](O)CC[C@]1(C)[C@@]3([H])C{12}[C@@H](O)[C@]4(C)[C@]5([H])[C@@]([H])(O[C@@]6(NC[C@H](C)CC6)[C@@H]5C)C[C@@]4([H])[C@]3([H])CC2 1 compound(s) in CSDB (view)
solasod-5-en-3β,12β,27-triol SMILES [H][C@]12C{3}[C@@H](O)CC[C@]1(C)[C@@]3([H])C{12}[C@@H](O)[C@]4(C)[C@]5([H])[C@@]([H])(O[C@@]6(NC[C@H]({27}CO)CC6)[C@@H]5C)C[C@@]4([H])[C@]3([H])CC2 1 compound(s) in CSDB (view)
22α,25R-5α-spirosolan-3β-ol soladulcidine = megacarpidine SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC{3}[C@@H](C6)O)C)C)C)NC1 4 compound(s) in CSDB (view)
5α,23R,25S-spirosolan-3β,23S-diol SMILES C[C@@H]1CN[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C{3}[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C){23}[C@H](O)C1 1 compound(s) in CSDB (view)
5β,23S,25R-spirosolan-3β,23S-diol SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C{3}[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12NC[C@H](C)C{23}[C@@H]2O 1 compound(s) in CSDB (view)
5α,23S,25S-spirosolan-3β,23S-diol SMILES C[C@@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C{3}[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C){23}[C@@H](O)C1 1 compound(s) in CSDB (view)
16α,28-secosolanida-5,22(28)-diene-3β,16α-diol etioline SMILES C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C{3}[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 1 compound(s) in CSDB (view)
25S-spirosol-5-en-3β-ol 22,25-diepisolasodine SMILES C[C@@H]1CN[C@]2(CC1)[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{3}[C@H](O)C6)O2 1 compound(s) in CSDB (view)
21-hydroxysolasodine SMILES C[C@@H]1CC[C@]2(NC1)[C@@H]({21}CO)[C@H]3[C@H](C[C@@H]4[C@]3(C)CC[C@H]5[C@H]4CC=C6[C@]5(C)CC{3}[C@H](O)C6)O2 1 compound(s) in CSDB (view)
(3β,22α,23S,25R)-spirosol-5-en-3,23-diol solaverol A SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C{3}[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12NC[C@H](C)C{23}[C@@H]2O 2 compound(s) in CSDB (view)
23-oxo-4α-olean-12-en-3β,16α-diol-28-oic acid quillaic acid SMILES C[C@@]1(C=O){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3CCC12 72 compound(s) in CSDB (view)
olean-12-en-28-oic acid SMILES C[C@]5(C)CC[C@]4({28}C(=O)O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]5(C)CC[C@]4(C(=O)O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5$
16α-hydroxyolean-12-en-28-oic acid SMILES C[C@]5(C)CC[C@]4({28}C(=O)O){16}[C@H](O)C[C@]3(C)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]5(C)CC[C@]4(C(=O)O)[C@H](O)C[C@]3(C)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5$
olean-12-en-3β-ol-27,28-dioic acid SMILES C[C@]5(C)CC[C@]4({27}C(=O)O)CC[C@]3({28}C(=O)O)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]5(C)CC[C@]4(C(=O)O)CC[C@]3(C(=O)O)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5$
olean-12-en-28-al-3β,22β,24-triol SMILES C[C@]5(C)C{22}C(O)C4(C=O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)({24}CO)C1CC[C@]23C)C4C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]5(C)CC(O)C4(C=O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(CO)C1CC[C@]23C)C4C5$
25-al-olean-18-en-30-oic acid SMILES C[C@]1(C){3}[C@@H](O)CC[C@@]2(C=O)C1CC[C@]5(C)C2CCC4/C3=C/[C@@](C){30}(C(=O)O)CC[C@]3(C)CC[C@]45C 1 compound(s) in CSDB (view)
16α-hydroxy-olean-12-en-30,28β-lactone SMILES CC1(C){3}[C@@H](O)CC[C@@]2(C)C1CC[C@]6(C)C2C/C=C\5C3C[C@]4(C)CC[C@]3(COC4=O){16}[C@H](O)C[C@]56C 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]6(C)C2C/C=C\5C3C[C@]4(C)CC[C@]3(COC4=O)[C@H](O)C[C@]56C$
20β-olean-12-en-3β,23-diol-28,29-dioic acid SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C)({29}C(O)=O)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
olean-12-en-3β,24-diol-30-oic acid SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@]({30}C(O)=O)(C)CC[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-12-en-3β,22β-diol-30-oic acid = 20β-carboxy-30-norolean-12-en-3β,22β-diol triptotriterpenic acid B SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@]({30}C(O)=O)(C)C{22}[C@@H](O)[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
olean-12-en-3β,16α,28-triol-30-oic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@]({30}C(O)=O)(C)CC[C@@]({28}CO)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 8 compound(s) in CSDB (view)
olean-12-en-3β,28-diol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 8 compound(s) in CSDB (view)
olean-12-en-2β,3β,28-triol SMILES CC1(C){3}[C@@H](O){2}[C@@H](O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 6 compound(s) in CSDB (view)
olean-12-en-3β,18α,22β-triol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4{18}[C@@]5(O)CC(C)(C)C{22}[C@@H](O)[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-12-en-3β,21α,24-triol yunganogenin C SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C){21}[C@H](O)C[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 8 compound(s) in CSDB (view)
olean-12-en-3β,22α,28-triol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C{22}[C@H](O)[C@@]({28}CO)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-12-en-3β,23,28-triol hederatriol SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
olean-12-en-6β,16α,28-triol macrophyllogenin SMILES CC1(C)CCC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5{16}[C@H](O)C[C@](C)4[C@@](C)3C{6}[C@@H](O)[C@@]12[H] 1 compound(s) in CSDB (view)
olean-12-en-3β,22β,24-triol-28-al SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C{22}[C@@H](O)[C@@](C=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H]
olean-12-en-3β,6β,16α,28-tetrol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5{16}[C@H](O)C[C@](C)4[C@@](C)3C{6}[C@@H](O)[C@@]12[H] 1 compound(s) in CSDB (view)
olean-12-en-3β,11α,16β,28-tetrol SMILES C[C@@]1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H]){11}[C@H](O)C=C4[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5{16}[C@@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-12-en-3β,11α,23,28-tetrol SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H]){11}[C@H](O)C=C4[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-12-en-3β,11,23,28-tetrol SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H]){11}[CH](O)C=C4[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-12-en-3β,16β,22β,24-tetrol SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C{22}[C@@H](O)[C@@](C)5{16}[C@@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 5 compound(s) in CSDB (view)
olean-12-en-3β,16β,23,28-tetrol 23-hydroxylongispinogenin SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5{16}[C@@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 4 compound(s) in CSDB (view)
olean-12-en-3β,16α,21β,22α,28-pentol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C){22}[C@@H](O){21}[C@H](O)[C@@]({28}CO)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-12-en-3β,16α,22α,23,28-pentol SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C{22}[C@H](O)[C@@]({28}CO)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 3 compound(s) in CSDB (view)
olean-12-en-3β,11α,16β,23,28-pentol SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H]){11}[C@H](O)C=C4[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5{16}[C@@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 9 compound(s) in CSDB (view)
olean-12-en-3β,11α,16α,23,28-pentol SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H]){11}[C@H](O)C=C4[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 4 compound(s) in CSDB (view)
olean-12-en-3β,15α,16α,22α,28-pentol proschiwalligenin PA3 = barrigenol A1 SMILES CC1(C{22}[C@@H]([C@@]2({16}[C@@H]({15}[C@@H]([C@@]3(C([C@H]2C1)=CC[C@@H]4[C@]5(CC{3}[C@@H](C(C)([C@]5([H])CC[C@@]34C)C)O)C)C)O)O){28}CO)O)C 17 compound(s) in CSDB (view)
olean-12-en-3β,21β,22β,24,29-pentol kudzusapogenol A SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C)({29}CO){21}[C@@H](O){22}[C@@H](O)[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 11 compound(s) in CSDB (view)
olean-12-en-2β,3β,16α,23,24-pentol-28-oic acid platycodigenin SMILES [H][C@]12[C@@]({23}CO)({24}CO){3}[C@@H](O){2}[C@@H](O)C[C@]1(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5{21}[C@H](O)C[C@](C)4[C@@](C)3CC2 16 compound(s) in CSDB (view)
olean-13(18)en-3β-ol-28-oic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CCC4=C5CC(C)(C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-18-en-3β-ol-28-oic acid morolic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC[C@]4([H])C5=CC(C)(C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 3 compound(s) in CSDB (view)
olean-18-en-3β,11α,16β,23,28-pentol SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H]){11}[C@H](O)C[C@]4([H])C5=CC(C)(C)CC[C@@]({28}CO)5{16}[C@@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-9(11),12-dien-3α-ol-28-oic acid SMILES CC1(C){3}[C@H](O)CC[C@]2(C)C3=CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-11,13(18)-dien-3α-ol-28-oic acid SMILES CC1(C){3}[C@H](O)CC[C@]2(C)[C@@]3([H])C=CC4=C5CC(C)(C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-9,12-dien-3β,21α-diol-29-oic acid isomacedonic acid SMILES CC1(C){3}[C@@H](O)CCC2(C)C3=CC=C4[C@]5([H])C[C@](C)({29}C(O)=O){21}[C@H](O)C[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
olean-9,12-dien-3β,21β-diol-29-oic acid SMILES CC1(C){3}[C@@H](O)CCC2(C)C3=CC=C4[C@]5([H])C[C@](C)({29}C(O)=O){21}[C@@H](O)C[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
olean-9,12-dien-3β,21α,29-triol SMILES CC1(C){3}[C@@H](O)CCC2(C)C3=CC=C4[C@]5([H])C[C@](C)({29}C(O)){21}[C@H](O)C[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
olean-9,12-dien-3β,21β,29-triol SMILES CC1(C){3}[C@@H](O)CCC2(C)C3=CC=C4[C@]5([H])C[C@](C)({29}C(O)){21}[C@@H](O)C[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
olean-11,13(18)-dien-3β,21α-diol-29-oic acid macedonic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=CC4=C5C[C@](C)({29}C(O)=O){21}[C@H](O)C[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H]
16-oxo-olean-12-en-2β,3β,23-triol-28-oic acid SMILES C[C@]({23}CO)([C@](CC[C@@]([C@](C1)2C)3C)4[H]){3}[C@@H](O){2}[C@@H](O)C[C@]4(C)[C@@]3([H])CC=C2[C@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5C1=O 1 compound(s) in CSDB (view)
23-oxo-olean-12-en-3α-ol-28,29-dioic acid SMILES C[C@@]1(C=O){3}[C@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C)({29}C(O)=O)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
23-oxo-olean-12-en-3β,16α,22α,28-tetrol SMILES C[C@@]1(C=O){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C{22}[C@H](O)[C@@]({28}CO)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 5 compound(s) in CSDB (view)
23-oxo-olean-12-en-3α,30-diol-28-oic acid SMILES O{3}[C@@H]1CC[C@]2(C([C@]1(C)C=O)CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4C[C@@]({30}CO)(CC5)C){28}C(O)=O)C)C)C 1 compound(s) in CSDB (view)
11-oxo-olean-12-en-3β,22β,24-triol complogenin SMILES C[C@@]({24}CO)([C@](CC[C@@]([C@@]1(CC[C@]2({22}[C@H](O)CC(C)(C[C@]2(C1=C3)[H])C)C)C)4C)5[H]){3}[C@@H](O)CC[C@]5(C)[C@@]4([H])C3=O 7 compound(s) in CSDB (view)
11-oxo-olean-12-en-3β,16α,28-triol SMILES CC(C)([C@](CC[C@@]([C@@]1(C{16}[C@@H](O)[C@]2(CCC(C)(C[C@]2(C1=C3)[H])C){28}CO)C)4C)5[H]){3}[C@@H](O)CC[C@]5(C)[C@@]4([H])C3=O 1 compound(s) in CSDB (view)
3-O,23-methylenolean-12-en-3β,16α,23α-triol-28-oic acid SMILES CC1(C)CC[C@]2({28}C(O)=O){16}[C@H](O)C[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@@]6(C)[C@@H](OC{23}[C@H]6O)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])C1 4 compound(s) in CSDB (view)
olean-11-en-3β,13α,23,28-tetrol SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=C{13}[C@@]4(O)[C@]5([H])CC(C)(C)CC[C@@]({28}CO)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-11-en-3β,22β-diol-30-oic acid SMILES C[C@]1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=C[C@]4([H])[C@]5([H])C[C@](C(O)=O)(C)C{22}[C@@H](O)[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-11-en-3β,22β,24-triol-30-oic acid SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=C[C@]4([H])[C@]5([H])C[C@](C(O)=O)(C)C{22}[C@@H](O)[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
13β,28-epoxy-oleanan-3β,16β-diol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC[C@]45[C@]6([H])CC(C)(C)CC[C@@](CO5)6{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
13β,28-epoxy-oleanan-3β,16α-diol protoprimulagenin A SMILES C[C@@]12C(CC[C@]3(C)[C@]2([H])CC[C@@]4(OC5)[C@@]3(C)C{16}[C@@H](O)[C@]65C4CC(C)(C)CC6)C(C)(C){3}[C@@H](O)CC1 11 compound(s) in CSDB (view)
13β,28-epoxy-oleanan-3β,16α-diol-29-oic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC[C@]45[C@]6([H])C[C@](C)({29}C(O)=O)CC[C@@](CO5)6{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
13β,28-epoxy-30,30-dimethoxyolean-3β,16α-diol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC[C@]45[C@]6([H])C[C@](C(OC)OC)(C)CC[C@@](CO5)6{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
13β,28-epoxy-olean-11-en-3β,16α-diol rotundiogenin A SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=C[C@]45[C@]6([H])CC(C)(C)CC[C@@](CO5)6{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
rotundic acid SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)[C@]5({23}CO)C 5 compound(s) in CSDB (view)
30-hydroxyrotundic acid SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC=C([C@@H]4{19}[C@@]5(O)C)[C@@]3(C)CC[C@@]4(C(O)=O)CC[C@H]5{30}CO 1 compound(s) in CSDB (view)
23-oxorotungenic acid SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)[C@@]5({24}CO)C=O 1 compound(s) in CSDB (view)
13β,28-epoxy-olean-11-en-3β,16β-diol saikogenin E SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=C[C@]45[C@]6([H])CC(C)(C)CC[C@@](CO5)6{16}[C@@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 8 compound(s) in CSDB (view)
13β,28-epoxy-olean-11-en-3β,16α,23-triol saikogenin G SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=C[C@]45[C@]6([H])CC(C)(C)CC[C@@](CO5)6{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 9 compound(s) in CSDB (view)
13β,28-epoxy-olean-11-en-3β,16β,23-triol saikogenin F SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=C[C@]45[C@]6([H])CC(C)(C)CC[C@@](CO5)6{16}[C@@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 18 compound(s) in CSDB (view)
13β,28-epoxy-olean-11-en-3β,23-diol SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=C[C@]45[C@]6([H])CC(C)(C)CC[C@@](CO5)6CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
13β,28-epoxy-oleanan-3β,16α,22α-triol priverogenin B SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC[C@]45[C@]6([H])CC(C)(C)C{22}[C@H](O)[C@@](CO5)6{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 7 compound(s) in CSDB (view)
13β,28-epoxy-20β-oleanan-29-al-3β,16α-diol cyclamiretin A SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC[C@]45[C@]6([H])C[C@@](C)(C=O)CC[C@@](CO5)6{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 12 compound(s) in CSDB (view)
olean-12-en-3β,22β-diol-29-oic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C)({29}C(O)=O)C{22}[C@@H](O)[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 4 compound(s) in CSDB (view)
olean-11,13(18)-dien-3β,16α,28-triol rotundiogenin B = 16-epi-saikogenin C SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])C=CC4=C5CC(C)(C)CC[C@]5({28}CO){16}[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])C1(C)C 1 compound(s) in CSDB (view)
olean-11,13(18)-dien-3β,16α,23,28-tetrol saikogenin D SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=CC4=C5CC(C)(C)CC[C@@]({28}CO)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 7 compound(s) in CSDB (view)
olean-11,13(18)-dien-3β,16α,23,28-tetrol-29-oic acid bupleurogenin A SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=CC4=C5C[C@](C)({29}C(O)=O)CC[C@@]({28}CO)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 3 compound(s) in CSDB (view)
bupleurogenin B SMILES C[C@]({23}CO)([C@](CC[C@@]([C@@]1(C{16}[C@@H](O)[C@]2(CCC(C)(CC2C1=C3)C){28}CO)C)4C)5[H]){3}[C@@H](O)CC[C@]5(C)[C@@]4([H])C3=O 1 compound(s) in CSDB (view)
olean-11,13(18)-dien-3β,23,28-triol SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=CC4=C5CC(C)(C)CC[C@@]({28}CO)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-11,13(18)-dien-3β-ol-30-oic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=CC4=C5C[C@]({30}C(O)=O)(C)CC[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
22-oxo-olean-11,13(18)-dien-3β-ol-30-oic acid SMILES CC(C)([C@](CC[C@@]([C@](CC[C@@]12C)3C)4C)5[H]){3}[C@@H](O)CC[C@]5(C)[C@@]4([H])C=CC3=C2C[C@]({30}C(O)=O)(C)CC1=O 1 compound(s) in CSDB (view)
22-oxo-olean-12-en-3β,24-diol-29-oic acid SMILES C[C@@]({24}CO)([C@](CC[C@@]([C@](CC[C@@]12C)3C)4C)5[H]){3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])C[C@](C)({29}C(O)=O)CC1=O 3 compound(s) in CSDB (view)
olean-11,13(18)-dien-3β,24-diol-30-oic acid SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=CC4=C5C[C@]({30}C(O)=O)(C)CC[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 3 compound(s) in CSDB (view)
olean-11,13(18)-dien-3β,22β-diol-30-oic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C=CC4=C5C[C@]({30}C(O)=O)(C)C{22}[C@@H](O)[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-12-en-3β,23-diol-28-oic acid hederagenin SMILES CC1(C)CC[C@]2({28}C(O)=O)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@](C)({23}CO){3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])C1 CSDB Linear: xXHederagenin 140 compound(s) in CSDB (view)
olean-12-en-3β,16α,23-triol-28-oic acid collinsogenin = 16α-hydroxyhederagenin SMILES CC1(C)CC[C@]2({28}C(O)=O){16}[C@H](O)C[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@](C)({23}CO){3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])C1 5 compound(s) in CSDB (view)
olean-12-en-3β,21β,22β,24-tetrol soyasapogenol A SMILES C[C@]12CC{3}[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC([C@H]({22}[C@H]5O)O)(C)C)C)C)C)(C)CO)O CSDB Linear: xXSoyasapogenolA? 53 compound(s) in CSDB (view)
olean-12-en-3β,22β,24-triol soyasapogenol B SMILES C[C@]12CC{3}[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C{22}[C@H]5O)(C)C)C)C)C)(C){24}CO)O CSDB Linear: xXSoyasapogenolB 83 compound(s) in CSDB (view)
olean-12-en-3β,23-diol-22-one SMILES C[C@]({23}CO)([C@](CC[C@@]([C@](CC[C@@]12C)3C)4C)5[H]){3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])CC(C)(C)CC1=O 2 compound(s) in CSDB (view)
olean-12-en-3β,24-diol-22-one soyasapogenol E SMILES C[C@@]({24}CO)([C@](CC[C@@]([C@](CC[C@@]12C)3C)4C)5[H]){3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])CC(C)(C)CC1=O 8 compound(s) in CSDB (view)
olean-12-en-2β,3β-diol-23,28-dioic acid medicagenic acid SMILES CC1(C)CC[C@]2({28}C(O)=O)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@@]({23}C(O)=O)(C){3}[C@@H](O){2}[C@@H](O)C[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])C1 33 compound(s) in CSDB (view)
olean-12-en-2β,3β,16α-triol-23,28-dioic acid 16α-hydroxymedicagenic acid = zahnic acid SMILES C[C@@]1({23}C(O)=O){3}[C@@H](O){2}[C@@H](O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 7 compound(s) in CSDB (view)
olean-12-en-2β,3β,16α,23-tetrol-28-oic acid polygalacic acid SMILES O{3}[C@H]1{2}[C@@H](O)C[C@@]2(C)C(CC[C@]3(C)[C@]2([H])CC=C4[C@@]3(C)C{16}[C@@H](O)[C@]5({28}C(O)=O)[C@]4([H])CC(C)(C)CC5)[C@]1(C){23}CO CSDB Linear: xXPolygalacic 78 compound(s) in CSDB (view)
olean-12-en-2β,3β,23-triol-28-oic acid bayogenin = 2β,23-dihydroxy-oleanolic acid SMILES O{2}[C@@H]1{3}[C@H](O)[C@@](C)({23}CO)[C@@](CC[C@]2(C)[C@]3([H])CC=C4[C@@]2(C)CC[C@]5({28}C(O)=O)[C@@]4([H])CC(C)(C)CC5)([H])[C@]3(C)C1 43 compound(s) in CSDB (view)
olean-12-en-2β,3β,16α,24-tetrol-28-oic acid SMILES C[C@]1({24}CO){3}[C@@H](O){2}[C@@H](O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 5 compound(s) in CSDB (view)
olean-12-en-2β,3β,16α,24-tetrol-23,28-dioic acid SMILES [H][C@]12[C@@]({23}C(O)=O)({24}CO){3}[C@@H](O){2}[C@@H](O)C[C@]1(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@](C(O)=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC2 1 compound(s) in CSDB (view)
olean-12-en-2β,3β,6β,23-tetrol-28-oic acid protobassic acid SMILES C[C@@]12CC[C@@]3(C(O)=O)CCC(C)(C)C[C@H]3C1=CC[C@H]4[C@@]2(C)C{6}[C@@H](O)[C@H]5[C@]4(C)C{2}[C@H](O){3}[C@H](O)[C@]5({23}CO)C 13 compound(s) in CSDB (view)
olean-12-en-2β,3β,6β,16α,23-pentol-28-oic acid 16α-hydroxy-protobassic acid SMILES C[C@@]1({23}CO){3}[C@@H](O){2}[C@@H](O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3C{6}[C@@H](O)[C@@]12[H] 3 compound(s) in CSDB (view)
olean-12-en-3β,16α-diol-28-oic acid echinocystic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] CSDB Linear: xXEchinocystic 106 compound(s) in CSDB (view)
olean-12-en-3β,29-diol-28-oic acid mesembryanthemoidigenic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C)({29}CO)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 8 compound(s) in CSDB (view)
olean-12-en-3β,16α,21β-triol-28-oic acid acacic acid SMILES C[C@]12CC{3}[C@H](O)C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)C{16}[C@@H](O)[C@]5({28}C(O)=O)[C@H]4CC(C)(C){21}[C@@H](O)C5 44 compound(s) in CSDB (view)
21β,28-epoxyolean-12-en-3β,16α-diol-28-oic acid acacic acid 21,28-lactone SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)[C@](O6)([H])C[C@@](C6=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 13 compound(s) in CSDB (view)
olean-12-en-2β,3β,16α,21β,23-pentol-28-oic acid 2β,23-dihydroxy-acacic acid SMILES C[C@]12C{2}[C@H](O){3}[C@H](O)[C@]({23}CO)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)C{16}[C@@H](O)[C@]5({28}C(O)=O)[C@H]4CC(C)(C){21}[C@@H](O)C5 16 compound(s) in CSDB (view)
21β,28-epoxyolean-12-en-2β,3β,16α,23-pentol-28-oic acid 2β,23-dihydroxy-acacic acid 21,28-lactone SMILES C[C@@]1({23}CO){3}[C@@H](O){2}[C@@H](O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)[C@](O6)([H])C[C@@](C6=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 5 compound(s) in CSDB (view)
olean-12-en-3β,21α,22α-triol-28-oic acid entagenic acid SMILES O{28}C([C@]12CCC(C)(C[C@H]1C3=CC[C@H]4[C@@](CC[C@@H]5[C@@]4(CC{3}[C@@H](C5(C)C)O)C)([C@@]3({21}[C@H]({22}[C@H]2O)O)C)C)C)=O 2 compound(s) in CSDB (view)
olean-12-en-3β,22β,24-triol-29-oic acid oxytrogenin SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C)({29}C(O)=O)C{22}[C@@H](O)[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 14 compound(s) in CSDB (view)
olean-12-en-3β,21α,24-triol-29-oic acid SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C)({29}C(O)=O){21}[C@H](O)C[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
20α-olean-12-en-3β-ol-28,29-dioic acid serratagenic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C)({29}C(O)=O)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 4 compound(s) in CSDB (view)
olean-12-en-3α,23-diol-28,29-dioic acid SMILES C[C@@]1({23}CO){3}[C@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C)({29}C(O)=O)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
20α-olean-12-en-3α-ol-28,29-dioic acid 3-epi-serratagenic acid SMILES CC1(C){3}[C@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C)({29}C(O)=O)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
olean-12-en-3β-ol-28-oic acid oleanolic acid = oleanic acid SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@]([H])2C1(C)C CSDB Linear: xXOleanolic 436 compound(s) in CSDB (view)
olean-12-en-3β,22α-diol-28-oic acid 22α-hydroxyoleanolic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C{22}[C@H](O)[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
olean-12-en-3β,27-diol-28-oic acid 27-hydroxyoleanolic acid SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5CC[C@]({27}CO)4[C@@](C)3CC[C@]([H])2C1(C)C 3 compound(s) in CSDB (view)
28-norolean-12-en-3β,18β-diol-16-one SMILES CC(C)([C@](CC[C@@]([C@](C1)2C)3C)4[H]){3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC=C2{18}[C@]5(O)CC(C)(C)CC[C@@H]5C1=O 3 compound(s) in CSDB (view) (differs from PubChem)
16-oxo-28-norolean-12-ene SMILES C[C@]5(C)CCC4C(=O)C[C@]3(C)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]5(C)CCC4C(=O)C[C@]3(C)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5$
3β-hydroxy-30-noroleana-12,20(29)-dien-28-oic acid akebonoic acid = akebonic acid SMILES C=C5CC[C@]4({28}C(=O)O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5 9 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C5CC[C@]4(C(=O)O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5$
protoaescigenin = theasapogenol A SMILES C[C@]12CC{3}[C@H](O)[C@](C)({24}CO)C1CC[C@]3(C)C2CC=C4[C@@]3(C)C{16}[C@@H](O)[C@]5({28}CO)[C@H]4CC(C)(C){21}[C@@H](O){22}[C@@H]5O 31 compound(s) in CSDB (view)
barringtogenol C SMILES C[C@]12CC{3}[C@H](O)C(C)(C)C1CC[C@]3(C)C2CC=C4[C@@]3(C)C{16}[C@@H](O)[C@]5({28}CO)[C@H]4CC(C)(C){21}[C@@H](O){22}[C@@H]5O 22 compound(s) in CSDB (view)
olean-12-en-3β-ol-23-al-28-oic acid gypsogenin SMILES C[C@@]1(C=O){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CCC12 31 compound(s) in CSDB (view)
olean-12-en-3β-ol-23,28-dioic acid gypsogenic acid SMILES C[C@]12CC{3}[C@H](O)[C@@](C)({23}C(O)=O)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)CC[C@]5({28}C(O)=O)[C@H]4CC(C)(C)CC5 19 compound(s) in CSDB (view)
3,4-secogypsogenic acid SMILES C[C@@]1([C@@H](CC[C@@]2([C@@H]1CC=C3[C@]2(CC[C@@]4([C@H]3CC(C)(CC4)C){28}C(O)=O)C)C)C({23}C(O)=O)=C)CC{3}CO 1 compound(s) in CSDB (view)
spergulagenic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@]({30}C(O)=O)(C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 12 compound(s) in CSDB (view)
sophoradiol SMILES C[C@]12CC{3}[C@H](O)C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)CC[C@]5(C)[C@H]4CC(C)(C)C{22}[C@H]5O 13 compound(s) in CSDB (view)
olean-3β,12α-diol-28,13β-olide SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@H](O)[C@@]45[C@]6([H])CC(C)(C)CC[C@@](C(O5)=O)6CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
16α-trans-feruloyloxyoleanan-12-ene SMILES C[C@]5(C)CC[C@]4(C){16}[C@H](O)C[C@]3(C)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]5(C)CC[C@]4(C)[C@H](O)C[C@]3(C)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5$
20β-carboxy-30-norolean-11,13(18)-dien-3β-ol SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])C=CC4=C5C[C@]({30}C(O)=O)(C)CC[C@@](C)5CC[C@](C)4[C@@](C)3CCC2C1(C)C 2 compound(s) in CSDB (view)
30-norolean-12,20(29)-dien-3β-ol-28-oic acid SMILES CC(C)([C@](CC[C@@]([C@](CC[C@@](CC1)2{28}C(O)=O)3C)4C)5[H]){3}[C@@H](O)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])CC1=C 17 compound(s) in CSDB (view)
30-norolean-12-en-3α,20α-diol-28-oic acid SMILES CC1(C){3}[C@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C{20}[C@](C)(O)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
30-norolean-12-en-3α,20α,23-triol-28-oic acid SMILES C[C@@]1({23}CO){3}[C@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C{20}[C@](C)(O)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
23-oxo-30-norolean-12-en-3α,20α-diol-28-oic acid SMILES C[C@@]1(C=O){3}[C@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C{20}[C@](C)(O)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
20β-22β,29-epoxy-11,29-dioxo-olean-12-en-3β-ol glabrolide SMILES CC(C)([C@](CC[C@@]([C@@]1(CC[C@]2([C@H](O3)C[C@](C3=O)(C[C@]2(C1=C4)[H])C)C)C)5C)6[H]){3}[C@@H](O)CC[C@]6(C)[C@@]5([H])C4=O 2 compound(s) in CSDB (view)
11-oxo-olean-12-en-3β-ol-30-oic acid enoxolone = glycyrrhetic acid = glycyrrhetinic acid SMILES O{3}[C@H]1CC[C@@]2(C)C(CC[C@]([C@@](CC[C@]3(C)[C@@]4([H])C[C@]({29}C(O)=O)(C)CC3)(C)C4=C5)(C)C2C5=O)C1(C)C CSDB Linear: xXGlycyrrhetic 37 compound(s) in CSDB (view)
18β-glycyrrhetic acid SMILES O{3}[C@H](C(C)(C1CC[C@@]([C@@]2(CC[C@]3(CC[C@]({29}C(O)=O)(C[C@]3(C2=C4)[H])C)C)C)5C)C)CC[C@]1(C)[C@@]5([H])C4=O 1 compound(s) in CSDB (view)
11-deoxyglycyrrhetic acid SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC=C4[C@@]5([H])C[C@]({29}C(O)=O)(C)CC[C@@](C)5CC[C@](C)4[C@@](C)3CCC2C1(C)C 2 compound(s) in CSDB (view)
24-hydroxy-glycyrrhetic acid SMILES O{3}[C@H]([C@@](C)(C1CC[C@@]([C@@]2(CC[C@]3(CC[C@]({30}C(O)=O)(C[C@@]3(C2=C4)[H])C)C)C)5C){24}CO)CC[C@]1(C)[C@@]5([H])C4=O 3 compound(s) in CSDB (view)
24-hydroxy-11-deoxoglycyrrhetic acid SMILES O{3}[C@@H]1[C@@](C2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@](C[C@]5([H])C4=CC[C@]3([H])[C@@]2(C)CC1)(C){30}C(O)=O)({24}CO)C 2 compound(s) in CSDB (view)
glycyrrhetinic acid SMILES O{3}C1CC[C@@]2(C)[C@](CC[C@]([C@@](CC[C@]3(C)[C@@]4([H])C[C@@](C)({30}C(O)=O)CC3)(C)C4=C5)(C)[C@]2([H])C5=O)([H])C1(C)C 11 compound(s) in CSDB (view)
3,7β-dihydroxy-18β-glycyrrhetinic acid SMILES CC1(C){3}[C@@H](O)CC[C@@]2(C)[C@H]1C{7}[C@H](O)[C@]5(C)[C@@H]2C(=O)/C=C\4[C@@H]3C[C@@](C)({30}C(=O)O)CC[C@]3(C)CC[C@]45C 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H](O)[C@]5(C)[C@@H]2C(=O)/C=C\4[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]45C$
3,15α-dihydroxy-18β-glycyrrhetinic acid SMILES CC1(C){3}[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]5(C)[C@@H]2C(=O)/C=C\4[C@@H]3C[C@@](C)({30}C(=O)O)CC[C@]3(C)C{15}[C@H](O)[C@]45C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]5(C)[C@@H]2C(=O)/C=C\4[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)C[C@H](O)[C@]45C$
olean-12-en-2β,3β,27β-triol-23,28-dioic acid presenegenin SMILES C[C@@]12CC[C@@H]3[C@@](C{2}[C@H](O){3}[C@H](O)[C@]3({23}C(O)=O)C)(C)[C@H]1CC=C4[C@@]2({27}CO)CC[C@]5({28}C(O)=O)[C@H]4CC(C)(C)CC5 43 compound(s) in CSDB (view)
olean-12-en-3β,21β-diol-28-oic acid machaerinic acid SMILES O{3}[C@H]1CC[C@@]2([C@]3(CC=C4[C@@]5(CC({21}[C@@H](O)C[C@@]5(CC[C@]4([C@@]3(CC[C@@]2([H])C1(C)C)C)C){28}C(O)=O)(C)C)[H])[H])C 11 compound(s) in CSDB (view)
3β,7β,15α-trihydroxyolean-12-en-28-oic acid SMILES CC1(C)CC[C@]2({28}C(O)=O)C{15}[C@@H]([C@]3(C)C([C@@H]2C1)=CC[C@@H]4[C@@]5(C)CC{3}[C@H](O)C([C@@H]5C{7}[C@H](O)[C@]43C)(C)C)O 1 compound(s) in CSDB (view)
noroleanolic acid SMILES C[C@@]5(C)CC[C@]4({28}C(=O)O)CCC1/C(=C\CC2[C@@]1(C)CCC3[C@@](C)(C){3}[C@@H](O)CC[C@]23C)C4C5 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@]5(C)CC[C@]4(C(=O)O)CCC1/C(=C\CC2[C@@]1(C)CCC3[C@@](C)(C)[C@@H](O)CC[C@]23C)C4C5$
olean-12-en-3β,16α,21β,22α,24,28-hexol SMILES C[C@@]5(C)CC4/C3=C/CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)({24}CO)C1CC[C@@]2(C)[C@]3(C)C{16}[C@@H](O)[C@@]4({28}CO){22}[C@@H](O){21}[C@@H]5O 1 compound(s) in CSDB (view)
3β,4α,16α-trihydroxy-23-norolean-12-en-28-oic acid SMILES C[C@]5(C)CC[C@]4({28}C(=O)O){16}[C@H](O)C[C@]3(C)C(CCC2[C@@]1(C)CC{3}[C@H](O){4}[C@@](C)(O)C1CC[C@]23C)C4C5 2 compound(s) in CSDB (view)
3β,4α-dihydroxy-23-norolean-12-en-28-oic acid SMILES C[C@@]5(C)CC[C@]4({28}C(=O)O)CC[C@]3(C)C(CCC2[C@@]1(C)CC{3}[C@H](O){4}[C@@](C)(O)C1CC[C@]23C)C4C5 1 compound(s) in CSDB (view)
olean-12-en-2β,3β-diol-28-oic acid SMILES CC5(C)CC[C@]4({28}C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2C1(C)C{2}[C@H](O){3}[C@H](O)[C@](C)(C)[C@H]1CC[C@]23C)[C@@H]4C5 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC5(C)CC[C@]4(C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2C1(C)C[C@H](O)[C@H](O)[C@](C)(C)[C@H]1CC[C@]23C)[C@@H]4C5$
23-oxo-olean-12-en-2β,3β-diol-28-oic acid SMILES CC5(C)CC[C@]4({28}C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2C1(C)C{2}[C@H](O){3}[C@H](O)[C@@](C)(C=O)[C@H]1CC[C@]23C)[C@@H]4C5 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC5(C)CC[C@]4(C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2C1(C)C[C@H](O)[C@H](O)[C@@](C)(C=O)[C@H]1CC[C@]23C)[C@@H]4C5$
2β,3β-dihydroxy-30-norolean-12,20(29)-diene-23,28-dioic acid SMILES C=C5CCC4({28}C(=O)O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)C{2}[C@H](O){3}[C@H](O)[C@@](C)({23}C(=O)O)C1CC[C@]23C)C4C5 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C5CCC4(C(=O)O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)C1CC[C@]23C)C4C5$
3β-hydroxy-olean-12-ene-23,28,30-trioic acid SMILES C[C@]5({30}C(=O)O)CC[C@]4({28}C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2[C@@]1(C)CC{3}[C@H](O)[C@@](C)({23}C(=O)O)[C@@H]1CC[C@]23C)[C@@H]4C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]5(C(=O)O)CC[C@]4(C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC[C@]23C)[C@@H]4C5$
3β,23-dihydroxyolean-12-en-28-oic acid SMILES CC1(CC[C@@]2(CC[C@@]3(C(C2C1)=CCC4[C@]5(CC{3}[C@@H]([C@@]({23}CO)(C5CC[C@]43C)C)O)C)C){28}C(O)=O)C 1 compound(s) in CSDB (view)
28-norolean-12-en-2β,3β,17,23-tetraol-16-one SMILES C[C@]5(C)CC{17}[C@]4(O)C(=O)C[C@]3(C)C(CCC2[C@@]1(C)C{2}[C@H](O){3}[C@H](O)[C@@](C)({23}CO)C1CC[C@]23C)C4C5 2 compound(s) in CSDB (view)
olean-12-en-2α,3β,23-triol-28-oic acid arjunolic acid SMILES O{2}[C@H]1{3}[C@H](O)[C@@](C)({23}CO)[C@@](CC[C@]2(C)[C@]3([H])CC=C4[C@@]2(C)CC[C@]5({28}C(O)=O)[C@@]4([H])CC(C)(C)CC5)([H])[C@]3(C)C1 2 compound(s) in CSDB (view)
olean-12-en-3β,22α,24,29-tetrol SMILES C[C@@]5({29}CO)C{22}[C@H](O)[C@]4(C)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)({24}CO)C1CC[C@]23C)C4C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@]5(CO)C[C@H](O)[C@]4(C)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(CO)C1CC[C@]23C)C4C5$
3-hydroxy-11α,12α-epoxyolenane-28,13β-olide SMILES C[C@]7(C)CCC56CC[C@@]4(C)[C@]2(C)CCC1[C@@](C)(C){3}[C@@H](O)CC[C@]1(C)C2[C@@H]3O[C@@H]3[C@]4(OC5=O)C6C7 1 compound(s) in CSDB (view)
3β,16β,23,28-tetrahydroxyolean-18-ene SMILES CC5(C)/C=C\4C3CCC2[C@@]1(C)CC{3}[C@H](O)[C@@](C){18}(CO)C1CC[C@@]2(C)[C@]3(C)C{16}[C@H](O)[C@@]4{23}(CO)C{28}[C@@H]5O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC5(C)/C=C\4C3CCC2[C@@]1(C)CC[C@H](O)[C@@](C)(CO)C1CC[C@@]2(C)[C@]3(C)C[C@H](O)[C@@]4(CO)C[C@@H]5O$
3β,21β,28-trihydroxyolean-12-en SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C){21}[C@@H](O)C[C@@]({28}CO)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
3β-hydroxyolean-12-ene-27,28-dioic acid cincholic acid SMILES C[C@]12CC{3}[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C){28}C(=O)O){27}C(=O)O)C)(C)C)O 5 compound(s) in CSDB (view)
13β,28-epoxy-olean-11-en-3β,16α,22α,23-tetrol SMILES CC1(C)C{22}[C@H](O)[C@]2(CO3){16}[C@H](O)C[C@@]4(C)[C@]5(C)CCC6[C@](C)({23}CO){3}[C@@H](O)CC[C@]6(C)C5C=C[C@]43C2C1 1 compound(s) in CSDB (view)
3β,16α,24-trihydroxyoleana-12-en-28-oic acid SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
3β,13β,28-epoxy-16α,30-oleananetriol SMILES CC1(C){3}[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]23OC[C@@]4(CC[C@](C)({30}CO)C[C@H]42){16}[C@H](O)C[C@]31C 3 compound(s) in CSDB (view)
30-oxo-3β,13β,28-epoxy-16α,22β-oleananetriol SMILES CC1(C){3}[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@]23OC[C@]4({16}[C@H](O)C[C@]21C){22}[C@H](O)C[C@](C)(C=O)C[C@@H]34 3 compound(s) in CSDB (view)
2β,3β-dihydroxy-23-oxoolean-12-en-28-oic acid 2-hydroxygypsogenin SMILES C[C@@]1(C=O){3}[C@@H](O){2}[C@@H](O)C[C@]2(C)[C@@]3([H])CC=C4[C@@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CCC12 1 compound(s) in CSDB (view)
3β,21β,24-trihydroxy-22-oxoolean-12-ene SMILES CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC{3}[C@H](O)[C@](C)({24}CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O){21}[C@@H]1O 2 compound(s) in CSDB (view)
3β,16α-dihydroxyolean-12-ene-23,28-dioic acid 16α-hydroxygypsogenic acid SMILES CC1(C)CC[C@@]2({28}C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC{3}[C@H](O)[C@@](C)({23}C(=O)O)[C@@H]4CC[C@@]3(C)[C@]1(C)C{16}[C@H]2O 4 compound(s) in CSDB (view)
3-oxohederagenin SMILES CC5(C)CC[C@]4({28}C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2[C@@]1(C)CCC(=O)[C@@](C)({23}CO)[C@@H]1CC[C@]23C)C4C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC5(C)CC[C@]4(C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1CC[C@]23C)C4C5$
3α,23,29-trihydroxyolean-12-en-28-oic acid SMILES C[C@]1({29}CO)CC[C@]2({28}C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC{3}[C@H](O)[C@@](C)({23}CO)C5CC[C@]43C)C2C1 1 compound(s) in CSDB (view)
3β,20α,23-trihydroxy-30-nor-olean-12-en-28-oic acid SMILES C{20}[C@]1(O)CC[C@]2({28}C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC{3}[C@H](O)[C@@](C)({23}CO)C5CC[C@]43C)C2C1 1 compound(s) in CSDB (view)
2β,3β,16α,23-tetrahydroxyolean-12-ene-28-oic acid SMILES CC1(C)CC[C@@]2({28}C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)C{2}[C@H](O){3}[C@H](O)[C@@](C)({23}CO)[C@@H]4CC[C@@]3(C)[C@]1(C)C{16}[C@H]2O 3 compound(s) in CSDB (view)
olean-12-en-3β,16α,22α,28-tetrol camelliagenin A SMILES CC1(C)C{22}[C@H](O)[C@@]2({28}CO)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC{3}[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C{16}[C@H]2O 6 compound(s) in CSDB (view)
2α,3α,19α,23-tetrahydroxyolean-12-ene-28-oic acid SMILES CC1(C)CC[C@]2({28}C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C{2}[C@@H](O){3}[C@@H](O)[C@@](C)({23}CO)[C@@H]5CC[C@]43C)[C@@H]2{19}[C@@H]1O 1 compound(s) in CSDB (view)
3β,16α,23,28-tetrahydroxy-olean-11,13(18)-dien-30-oic acid SMILES C[C@]1({30}C(=O)O)CC[C@@]2({28}CO)C(=C3C=CC4[C@@]5(C)CC{3}[C@H](O)[C@@](C)({23}CO)C5CC[C@@]4(C)[C@]3(C)C{16}[C@H]2O)C1 3 compound(s) in CSDB (view)
3β-hydroxy-5α,14α-androst-8-en SMILES C[C@@]12CCCC1/C4=C(CC2)/[C@@]3(C)CC{3}[C@H](O)CC3CC4 1 compound(s) in CSDB (view)
dammar-24-en-3β,12β,20S-triol 20S-protopanaxadiol SMILES O{3}[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])C{12}[C@@H](O)[C@@]4([H])[C@@]3(C)CC[C@@]4({20}[C@@](CC/C=C(C)/C)(C)O)[H])([H])C1(C)C CSDB Linear: xXProtopanaxadiol20s 76 compound(s) in CSDB (view)
12-oxo-dammar-24-en-3β,12β,20S-triol 12-oxo-20S-protopanaxadiol SMILES O{3}[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])C{12}C(=O)[C@@]4([H])[C@@]3(C)CC[C@@]4({20}[C@@](CC/C=C(C)/C)(C)O)[H])([H])C1(C)C 1 compound(s) in CSDB (view)
3-oxo-20(S)-protopanaxatriol SMILES C/C(C)=C\CC{20}[C@](C)(O)[C@H]1CC[C@]4(C)[C@@H]1{12}[C@H](O)C[C@@H]3[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2{6}[C@@H](O)C[C@]34C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@](C)(O)[C@H]1CC[C@]4(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2[C@@H](O)C[C@]34C$
dammar-24-en-3β,12β,20R-triol 20R-protopanaxadiol SMILES O{3}[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])C{12}[C@@H](O)[C@@]4([H])[C@@]3(C)CC[C@@]4({20}[C@](CC/C=C(C)/C)(C)O)[H])([H])C1(C)C 1 compound(s) in CSDB (view)
dammar-24-en-3β,12β,20-triol protopanaxadiol SMILES O{3}[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])C{12}[C@@H](O)[C@@]4([H])[C@@]3(C)CC[C@@]4({20}C(CC/C=C(C)/C)(C)O)[H])([H])C1(C)C 3 compound(s) in CSDB (view)
dammar-24-en-3β,6α,12β,20S-tetrol 20S-protopanaxatriol = 6α-hydroxy-20S-protopanaxadiol SMILES O{12}[C@H]1[C@@]([C@]({20}[C@@](CC/C=C(C)\C)(C)O)([H])CC2)([H])[C@]2(C)[C@@](C3)(C)[C@@](C1)([H])[C@](CC4)(C)[C@@](C(C)(C){3}[C@H]4O)([H]){6}[C@H]3O CSDB Linear: xXProtopanaxatriol20s 38 compound(s) in CSDB (view)	$Subst // Subst = SMILES O[C@H]1[C@@]([C@]([C@@](CC/C=C(C)\C)(C)O)([H])CC2)([H])[C@]2(C)[C@@](C3)(C)[C@@](C1)([H])[C@](CC4)(C)[C@@](C(C)(C)[C@H]4O)([H])[C@H]3O$
dammar-24-en-3β,6α,12β,20R-tetrol 20R-protopanaxatriol = 6α-hydroxy-20R-protopanaxadiol SMILES O{12}[C@H]1[C@@]([C@]({20}[C@](CC/C=C(C)\C)(C)O)([H])CC2)([H])[C@]2(C)[C@@](C3)(C)[C@@](C1)([H])[C@](CC4)(C)[C@@](C(C)(C){3}[C@H]4O)([H]){6}[C@H]3O 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES O[C@H]1[C@@]([C@]([C@](CC/C=C(C)\C)(C)O)([H])CC2)([H])[C@]2(C)[C@@](C3)(C)[C@@](C1)([H])[C@](CC4)(C)[C@@](C(C)(C)[C@H]4O)([H])[C@H]3O$
dammar-24-en-3β,6α,12β,20-tetrol protopanaxatriol SMILES O{12}[C@H]1[C@@]([C@]({20}C(CC/C=C(C)\C)(C)O)([H])CC2)([H])[C@]2(C)[C@@](C3)(C)[C@@](C1)([H])[C@](CC4)(C)[C@@](C(C)(C){3}[C@H]4O)([H]){6}[C@H]3O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES O[C@H]1[C@@]([C@](C(CC/C=C(C)\C)(C)O)([H])CC2)([H])[C@]2(C)[C@@](C3)(C)[C@@](C1)([H])[C@](CC4)(C)[C@@](C(C)(C)[C@H]4O)([H])[C@H]3O$
dammar-24-en-3β,20R-diol damarenediol I SMILES O{3}[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])CC[C@@]4([H])[C@@]3(C)CC[C@@]4({20}[C@](CC/C=C(C)/C)(C)O)[H])([H])C1(C)C 8 compound(s) in CSDB (view)
dammar-24-en-3β,20S-diol damarenediol II SMILES O{3}[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])CC[C@@]4([H])[C@@]3(C)CC[C@@]4({20}[C@@](CC/C=C(C)/C)(C)O)[H])([H])C1(C)C 5 compound(s) in CSDB (view)
dammar-24-en-3β,19,20S-triol SMILES CC1(C){3}[C@@H](O)CC[C@]2({19}CO)[C@@]3([H])CC[C@]4([H])[C@@H]({20}[C@@](C)(O)CC/C=C(C)\C)CC[C@](C)4[C@@](C)3CCC12 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1(C)[C@@H](O)CC[C@]2(CO)[C@@]3([H])CC[C@]4([H])[C@@H]([C@@](C)(O)CC/C=C(C)\C)CC[C@](C)4[C@@](C)3CCC12$
19-oxo-dammar-24-en-3β,20S-diol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C=O)[C@@]3([H])CC[C@]4([H])[C@@H]({20}[C@@](C)(O)CC/C=C(C)\C)CC[C@](C)4[C@@](C)3CCC12 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1(C)[C@@H](O)CC[C@]2(C=O)[C@@]3([H])CC[C@]4([H])[C@@H]([C@@](C)(O)CC/C=C(C)\C)CC[C@](C)4[C@@](C)3CCC12$
5α-dammar-23-en-3β,12β,20S,25-tetrol betulafolienetetrol B SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]({20}[C@@](C)(O)C/C=C/{25}C(C)(O)C)CC[C@](C)4[C@@](C)3CC[C@@]12[H] 6 compound(s) in CSDB (view)
25-hydroperoxydammar-23-en-3β,12β,20S-triol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]({20}[C@@](C)(O)C/C=C/C(C)(OO)C)CC[C@](C)4[C@@](C)3CCC12 3 compound(s) in CSDB (view)
dammar-23-en-3β,6α,12β,20S,25-pentol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]({20}[C@@](C)(O)C/C=C/{25}C(C)(O)C)CC[C@](C)4[C@@](C)3C{6}[C@H](O)C12 3 compound(s) in CSDB (view)
5α-dammar-25-en-3β,12β,20S,24-tetrol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]({20}[C@@](C)(O)CC{24}C(O)C(C)=C)CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
dammar-25-en-3β,12β,20S,24R-tetrol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]({20}[C@@](C)(O)CC{24}[C@@H](O)C(C)=C)CC[C@](C)4[C@@](C)3CCC12 1 compound(s) in CSDB (view)
dammar-25-en-3β,12β,20S,24S-tetrol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]({20}[C@@](C)(O)CC{24}[C@H](O)C(C)=C)CC[C@](C)4[C@@](C)3CCC12 2 compound(s) in CSDB (view)
dammaran-3β,12β,20S,24,25-pentol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]({20}[C@@](C)(O)CC{24}C(O){25}C(C)(O)C)CC[C@](C)4[C@@](C)3CCC12 2 compound(s) in CSDB (view)
dammaran-3β,6α,12β,20S,24,25-hexol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]({20}[C@@](C)(O)CC{24}C(O){25}C(C)(O)C)CC[C@](C)4[C@@](C)3C{6}[C@H](O)C12 3 compound(s) in CSDB (view)
20S,24S-epoxy-dammaran-3β,6α,12β,25-tetrol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]([C@@](C)(O5)CC[C@H]5{25}C(C)(O)C)CC[C@](C)4[C@@](C)3C{6}[C@H](O)C12 12 compound(s) in CSDB (view)
20S,24R-epoxy-dammaran-3β,6α,12β,25-tetrol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]([C@@](C)(O5)CC[C@@H]5{25}C(C)(O)C)CC[C@](C)4[C@@](C)3C{6}[C@H](O)C12 1 compound(s) in CSDB (view)
20S,25-epoxy-dammaran-3β,6α,12β,24α-tetrol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]([C@@](C)(O5)CC{24}[C@H](O)C5(C)C)CC[C@](C)4[C@@](C)3C{6}[C@H](O)C12 4 compound(s) in CSDB (view)
20S,24S-epoxy-dammaran-3β,6α,12β,25,26-pentol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])C{12}[C@@H](O)[C@]4([H])[C@@H]([C@@](C)(O5)CC[C@H]5C{25}(C)(O){26}CO)CC[C@](C)4[C@@](C)3C{6}[C@H](O)C12 2 compound(s) in CSDB (view)
16-oxodammar-23-en-3β,20S,25,30-tetrol SMILES CC(C)(C1CC[C@@]([C@](C2)3{30}CO)4C){3}[C@@H](O)CC[C@]1(C)[C@@]4([H])CC[C@]3([H])[C@@H]({20}[C@@](C)(O)C/C=C/{25}C(C)(O)C)C2=O 5 compound(s) in CSDB (view)
16,22:16,30-diepoxy-24-methylene-dammaran-3β,15α,20β-triol ampelozigenin SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC[C@@]4([H])[C@@H]({20}[C@@](C)(O)[C@H]5CC(C(C)C)=C)[C@@]6(O5){15}[C@H](O)[C@](CO6)4[C@@](C)3CCC12 1 compound(s) in CSDB (view)
(23R)-16β,23:16,30-diepoxy-5α-dammar-24-ene-3β,20-diol jujubogenin SMILES C/C(C)=C/[C@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC{3}[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]36C[C@]2(OC6)O1 37 compound(s) in CSDB (view)
16R,22R-epoxy-dammar-24-ene-3β,15α,16α,20β-tetrol lotogenin SMILES C/C(C)=C/C[C@H]1O{16}[C@@]2(O){15}[C@H](O)[C@@]3(C)[C@]4(C)CCC5C(C)(C){3}[C@@H](O)CC[C@@](C)5C4CC[C@]3([H])C2{20}[C@@](O)1C 3 compound(s) in CSDB (view)
24-peroxy-5α-dammar-25-en-3β,12β,20S-triol SMILES C=C(C)C(CC{20}[C@](C)(O)C1CC[C@]4(C)C1{12}[C@H](O)CC3[C@@]2(C)CC{3}[C@H](O)[C@](C)(C)C2CC[C@]34C)OO 1 compound(s) in CSDB (view)
20,25-dihydroxy-3,4-seco-5α-dammar-4(28),23-dien-3-oic acid SMILES C=C(C)[C@@H]3CC[C@]2(C)C(C{12}[C@@H](O)C1C{20}([C@@](C)(O)C/C=C/C{25}(C)(C)O)CC[C@]12C)[C@@]3(C)CC{3}C(=O)O 1 compound(s) in CSDB (view)
3,7,12,20(S)-tetrahydroxy-dammar-5,24-diene SMILES C/C(C)=C\CC{20}[C@](C)(O)C1CC[C@]4(C)C1{12}[C@H](O)CC3[C@@]/2(C)CC{3}[C@H](O)[C@](C)(C)C2=C\{7}[C@H](O)[C@]34C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@](C)(O)C1CC[C@]4(C)C1[C@H](O)CC3[C@@]/2(C)CC[C@H](O)[C@](C)(C)C2=C\[C@H](O)[C@]34C$
dammar-20(22),24-dien-3β,12β-diol SMILES C/C(C)=C\C\C=C(C)/C1CC[C@]4(C)C1{12}[C@H](O)CC3[C@@]2(C)CC{3}[C@H](O)[C@](C)(C)C2CC[C@]34C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\C\C=C(C)/C1CC[C@]4(C)C1[C@H](O)CC3[C@@]2(C)CC[C@H](O)[C@](C)(C)C2CC[C@]34C$
dammar-20(22),24-dien-3β,6α,12β-diol SMILES C/C(C)=C\C\C=C(C)/C1CC[C@]4(C)C1{12}[C@H](O)CC3[C@@]2(C)CC{3}[C@H](O)[C@](C)(C)C2{6}[C@@H](O)C[C@]34C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\C\C=C(C)/C1CC[C@]4(C)C1[C@H](O)CC3[C@@]2(C)CC[C@H](O)[C@](C)(C)C2[C@@H](O)C[C@]34C$
3a-oxa-3a-homo-6α,12β,20S-dihydroxydammar-3-one SMILES C/C(C)=C\CC{20}[C@](C)(O)[C@H]1CC[C@]4(C)[C@@H]1{12}[C@H](O)C[C@@H]3[C@@]2(C)CCC(=O)OC(C)(C)[C@@H]2{6}[C@@H](O)C[C@]34C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@](C)(O)[C@H]1CC[C@]4(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]2(C)CCC(=O)OC(C)(C)[C@@H]2[C@@H](O)C[C@]34C$
dammaran-3β,6α,12β,20R,25-pentol SMILES CC{25}(C)(O)CCC{20}[C@@](C)(O)C1CC[C@]4(C)C1{12}[C@H](O)CC3C2(C)CC{3}[C@H](O)[C@](C)(C)C2{6}[C@@H](O)CC34C 1 compound(s) in CSDB (view)
12β,20(S)-dihydroxydammar-3-one SMILES C/C(C)=C\CC{20}[C@](C)(O)[C@H]1CC[C@]4(C)[C@@H]1{12}[C@H](O)C[C@@H]3[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]34C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@](C)(O)[C@H]1CC[C@]4(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]34C$
22R-16β,23:16,30-diepoxy-5α-dammar-24-ene-3β,20-diol pseudojujubogenin SMILES C{20}[C@]1(O)[C@H](/C=C(C)/C)CO[C@]2(C3)OC[C@]43[C@]5(C)CC[C@H]6C(C)(C){3}[C@@H](O)CC[C@@](C)6[C@H]5CC[C@@H]4[C@@H]12 6 compound(s) in CSDB (view)
(3β,6α,12β,24R)-20,24-epoxydammaran-3,6,12,25-tetrol SMILES C{25}C(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2{12}[C@H](O)C[C@@H]2[C@@]4(C)CC{3}[C@H](O)C(C)(C)[C@@H]4{6}[C@@H](O)C[C@]23C)O1 1 compound(s) in CSDB (view)
dammar-25-en-24-one-3β,12β,20S-triol SMILES C=C(C)C(=O)CC{20}[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1{12}[C@H](O)C[C@@H]1[C@@]3(C)CC{3}[C@H](O)C(C)(C)C3CC[C@]12C 1 compound(s) in CSDB (view)
(3β,6α,12β,20S,24S)-3,6,12,20,24,25-hexahydroxydammarane SMILES C{25}C(C)(O){24}[C@@H](O)CC{20}[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1{12}[C@H](O)C[C@@H]1[C@@]3(C)CC{3}[C@H](O)C(C)(C)C3{6}[C@@H](O)C[C@]12C 1 compound(s) in CSDB (view)
(3β,6α,12β,20S,24R)-3,6,12,20,24,25-hexahydroxydammarane SMILES CC1(C)C2{6}[C@@H](O)C[C@]3(C)[C@H](C{12}[C@@H](O)[C@@H]4[C@@H]({20}[C@@](C)(O)CC{24}[C@@H](O){25}C(C)(C)O)CC[C@]43C)[C@@]2(C)CC{3}[C@@H]1O 1 compound(s) in CSDB (view)
(3β,7S,12β,20S)-3,7,12,20-tetrahydroxydammar-5,24-dien SMILES CC(C)=CCC{20}[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1{12}[C@H](O)C[C@@H]1[C@@]3(C)CC{3}[C@H](O)C(C)(C)C3=C{7}[C@H](O)[C@]12C 2 compound(s) in CSDB (view)
(3β,12β,20S,24Z)-3,12,20,26-tetrahydroxydammar-24-en SMILES C/C(=C/CC{20}[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1{12}[C@H](O)C[C@@H]1[C@@]3(C)CC{3}[C@H](O)C(C)(C)C3CC[C@]12C){26}CO 1 compound(s) in CSDB (view)
(3β,12β,20E)-3,12-dihydroxydammara-20(22),24-dien SMILES CC(C)=CC/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1{12}[C@@H](O)C[C@@H]1[C@@]3(C)CC{3}[C@@H](O)C(C)(C)C3CC[C@]12C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)=CC/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)C3CC[C@]12C$
3β,20S,23S,30-tetrahydroxydammar-24-en-16-one SMILES CC(C)=C{23}[C@@H](O)C{20}[C@](C)(O)[C@H]1C(=O)C[C@]2({30}CO)[C@@H]1CC[C@@H]1[C@@]3(C)CC{3}[C@H](O)C(C)(C)C3CC[C@]12C 3 compound(s) in CSDB (view)
pregna-5,16-dien-3β-ol-20-one SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)C(C(C)=O)=CC[C@@]4([H])[C@]3([H])CC=C2C1 3 compound(s) in CSDB (view)
pregn-5-en-3β,14β-diol-20-one SMILES CC([C@H]1CC{14}[C@]2(O)[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O 2 compound(s) in CSDB (view)
pregn-5-en-3β,16β-diol-20-one SMILES CC([C@H]1{16}[C@@H](O)C[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O 2 compound(s) in CSDB (view)
pregn-5-en-3β,20α-diol SMILES C{20}[C@H](O)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 4 compound(s) in CSDB (view)
pregn-5-en-3β,20β-diol SMILES C{20}[C@@H](O)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 1 compound(s) in CSDB (view)
pregn-5-en-3β,16α,20S-triol SMILES C{20}[C@H](O)[C@H]1{16}[C@H](O)C[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 3 compound(s) in CSDB (view)
pregn-5-en-3β,16β,20R-triol SMILES C{20}[C@@H](O)[C@H]1{16}[C@H](O)C[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 2 compound(s) in CSDB (view)
pregn-5-en-3β,14β,20α-triol calogenin SMILES O{14}[C@@]12[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]1(C)[C@@H]({20}[C@@](C)O)CC2 18 compound(s) in CSDB (view)
pregn-5-en-3β,17α,20α-triol SMILES C{20}[C@H](O){17}[C@@]1(O)CC[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 1 compound(s) in CSDB (view)
17α-pregn-5-en-3β,8β,12β,14β-tetrol-20-one lineolon SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O 57 compound(s) in CSDB (view)
pregn-5-en-3β,8β,12β,14β,17S-pentol-20-one deacetylmetaplexigenin SMILES CC({17}[C@]1(O)CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O 29 compound(s) in CSDB (view)
5α-pregnan-3β,5α,6β,16β,20α-pentol SMILES C{3}[C@H](O)[C@H]1{16}[C@@H](O)C[C@@]2([H])[C@]3([H])C{6}[C@@H](O){5}[C@]4(O)C{20}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 1 compound(s) in CSDB (view)
5α-pregnan-3-ol-20-one SMILES O{3}[CH]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](C(C)=O)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C1 1 compound(s) in CSDB (view)
5β-pregnan-3β,14β,21-triol-20-one SMILES C[C@@]12[C@@H](C({21}CO)=O)CC{14}[C@]1(O)[C@]3([H])CC[C@]4([H])C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC2 1 compound(s) in CSDB (view)
pregn-5-en-3-ol-20-one SMILES O{3}[CH]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](C(C)=O)CC[C@@]4([H])[C@]3([H])CC=C2C1 3 compound(s) in CSDB (view)
5α-pregnan-3β,14β,20-triol SMILES C{20}C(O)[C@H]1CC{14}[C@]2(O)[C@]3([H])CC[C@@]4([H])C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 2 compound(s) in CSDB (view)
pregn-5-en-3β,8,12β,14β,17S,20S-hexol sarcostin SMILES C{20}[C@H](O){17}[C@]1(O)CC{14}[C@@]2(O)[C@]1(C){12}[C@H](O)C[C@H]3{8}[C@@]2(O)CC=C4[C@]3(C)CC{3}[C@H](O)C4 23 compound(s) in CSDB (view)
20-oxopregn-5-en-3β,8,11β,12β,14β,17β-hexol sarcogenin SMILES CC([C@]1(O)CC{17}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H]){11}[C@@H](O){12}[C@@H](O)[C@]12C)=O 2 compound(s) in CSDB (view)
8,14-seco-pregn-6-en-3β,5β,12β,17α,20S-pentol-8,14-dione SMILES C{20}[C@H](O){17}[C@@]([C@]1({12}[C@H](O)C[C@H]2C(C=C{5}[C@@]3(O)C{3}[C@H](O)CC[C@]23C)=O)C)(O)CCC1=O 2 compound(s) in CSDB (view)
9ξ,17α-20-oxopregn-5-en-3β,8,12β,14β-tetrol 12-(2E)-3,4-dimethyl-2-pentenoate cynanchogenin SMILES CC(/C(C)=C/C(O[C@@H]1C[C@]2(C)[C@@]3(C)CC{3}[C@H](O)CC3=CC{8}[C@@]2(O){14}[C@]4(O)[C@@]1(C)[C@@](C(C)=O)([H])CC4)=O)C 13 compound(s) in CSDB (view)
9ξ-20-oxopregn-5-en-3β,8,12β,14β,17β-pentol 12-(2E)-3,4-dimethyl-2-pentenoate caudatin SMILES CC(/C(C)=C/C(O[C@@H]1C[C@]2(C)[C@@]3(C)CC{3}[C@H](O)CC3=CC{8}[C@@]2(O){14}[C@]4(O)[C@@]1(C){17}[C@@](C(C)=O)(O)CC4)=O)C 15 compound(s) in CSDB (view)
9ξ-20-oxopregn-5-en-3β,8,12β,14β,17β-pentol 12-cynnamoyl 20-nicotinyl gagaminin SMILES O=C(O[C@@H]1C[C@]2(C)[C@@]3(C)CC{3}[C@H](O)CC3=CC{8}[C@@]2(O){14}[C@]4(O)[C@@]1(C){17}[C@@]([C@H](C)OC(C5=CN=CC=C5)C)(O)CC4)/C=C/C6=CC=CC=C6 2 compound(s) in CSDB (view)
pregna-5,16-dien-1β,3β-diol-20-one SMILES C[C@@]12C(CC=C2C(C)=O)C3CC=C4C{3}[C@@H](O)C{1}[C@@H](O)[C@]4(C)C3CC1 4 compound(s) in CSDB (view)
pregn-6-ene-3,5,8,12,14,17,20-heptol SMILES C{20}C(O){17}[C@]3(O)CC{14}[C@]4(O){8}[C@]2(O)/C=C\{5}[C@@]1(O)C{3}[C@@H](O)CC[C@]1(C)C2C{12}[C@@H](O)[C@]34C 6 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(O)[C@]3(O)CC[C@]4(O)[C@]2(O)/C=C\[C@@]1(O)C[C@@H](O)CC[C@]1(C)C2C[C@@H](O)[C@]34C$
3β,7β,15β-trihydroxy-4,4,14-trimethyl-pregn-8-ene-11,20-dione SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)/C4=C({7}[C@@H](O)C[C@@H]12)/[C@]3(C){15}[C@H](O)C[C@H]({18}C(=O)O)[C@@]3(C)CC4=O 1 compound(s) in CSDB (view)
pregnan-3β,14β,15β,16α-tetrol-4-one SMILES CC(=O)[C@H]3{16}[C@H](O){15}[C@@H](O){14}[C@]4(O)C2CCC1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@]34C 2 compound(s) in CSDB (view)
16β,20S-3β-hydroxy-20-methyl-16,21-epoxypregn-5-en-21-one SMILES C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4CC=C5C{3}[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C21 1 compound(s) in CSDB (view)
siaresinol SMILES C[C@]12CC{3}[C@H](O)C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)CC[C@]5({28}C(O)=O)[C@H]4{19}[C@H](O)C(C)(C)CC5 6 compound(s) in CSDB (view)
siaresinolic acid SMILES C[C@]5(C)CC[C@]4({28}C(=O)O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@]23C)C4{19}[C@@H]5O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]5(C)CC[C@]4(C(=O)O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(C)C1CC[C@]23C)C4[C@@H]5O$
(+)-syringaresinol SMILES COC1=CC([C@@H]2[C@@]3([H])CO[C@H](C4=CC(OC)={104}C(O)C(OC)=C4)[C@@]3([H])CO2)=CC(OC)={54}C1O 5 compound(s) in CSDB (view)
syringaresinol SMILES COC1=CC(C2C3COC(C4=CC(OC)={104}C(O)C(OC)=C4)C3CO2)=CC(OC)={54}C1O 7 compound(s) in CSDB (view)
(+)-1-hydroxy-syringaresinol SMILES COC1=CC([C@@H]2{1}[C@@]3(O)CO[C@H](C4=CC(OC)={54}C(O)C(OC)=C4)[C@@]3([H])CO2)=CC(OC)={104}C1O 1 compound(s) in CSDB (view)
(+)-fraxiresinol SMILES COC1=CC([C@@H]2{1}[C@@]3(O)CO[C@H](C4=CC(OC)={104}C(O)C=C4)[C@@]3([H])CO2)=CC(OC)={54}C1O 3 compound(s) in CSDB (view)
(+)-1-hydroxy-pinoresinol SMILES O{54}C1=C(OC)C=C([C@@H]2{1}[C@@]3(O)CO[C@H](C4=CC(OC)={104}C(O)C=C4)[C@@]3([H])CO2)C=C1 10 compound(s) in CSDB (view)
(+)-pinoresinol SMILES O{54}C1=C(OC)C=C([C@@H]2[C@@]3([H])CO[C@H](C4=CC(OC)={104}C(O)C=C4)[C@@]3([H])CO2)C=C1 8 compound(s) in CSDB (view)
pinoresinol SMILES O{54}C1=C(OC)C=C(C2C3COC(C4=CC(OC)={104}C(O)C=C4)C3CO2)C=C1 9 compound(s) in CSDB (view)
(-)-pinoresinol SMILES COc1cc(cc{104}c1O)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)c4cc{54}c(c(c4)OC)O 2 compound(s) in CSDB (view)
(-)-olivil SMILES O{54}C1=C(OC)C=C([C@@H]2[C@@]([C@@](CO2)(O)CC3=CC(OC)={104}C(O)C=C3)([H])CO)C=C1 3 compound(s) in CSDB (view)
(+)-lariciresinol SMILES O{54}C1=C(OC)C=C([C@@H]2C(C(CO2)CC3=CC(OC)={104}C(O)C=C3)CO)C=C1 3 compound(s) in CSDB (view)
(-)-lariciresinol SMILES O{54}C1=C(OC)C=C([C@@H]2[C@@]([C@@](CO2)([H])CC3=CC(OC)={104}C(O)C=C3)([H])CO)C=C1 1 compound(s) in CSDB (view)
lariciresinol SMILES O{54}C1=C(OC)C=C(C2C(C(CO2)([H])CC3=CC(OC)={104}C(O)C=C3)([H])CO)C=C1 5 compound(s) in CSDB (view)
(-)-isolariciresinol SMILES COC1={3}C(O)C=C2[C@@H](C3=CC(OC)={54}C(O)C=C3)[C@H]({9}CO)[C@@H]({10}CO)CC2=C1 1 compound(s) in CSDB (view)
(+)-isolariciresinol SMILES COc3cc([C@H]2c1c{3}c(O)c(OC)cc1C[C@@H]({10}CO)[C@H]2{9}CO)cc{54}c3O 4 compound(s) in CSDB (view)
(+)-10'-deoxyisolariciresinol SMILES COc3cc([C@H]2c1c{3}c(O)c(OC)cc1C[C@@H](C)[C@@H]2{9}CO)cc{54}c3O 2 compound(s) in CSDB (view)
secoisolariciresinol SMILES O{51}C[C@@H]([C@H]({1}CO)CC1=CC={7}C(O)C(OC)=C1)CC2=CC(OC)={57}C(O)C=C2 2 compound(s) in CSDB (view)
3"-methoxy-(-)-lariciresinol SMILES O{54}C1=C(OC)C=C([C@@H]2[C@@]([C@@](CO2)([H])CC3=CC(OC)={104}C(O)C(OC)=C3)([H]){2}CO)C=C1
(+)-lyoniresinol SMILES O{6}C1=C(OC)C=C2C[C@@H]({152}CO)[C@H]({153}CO)[C@@H](C3=CC(OC)={54}C(O)C(OC)=C3)C2=C1OC 3 compound(s) in CSDB (view)
(-)-lyoniresinol SMILES O{6}C1=C(OC)C=C2C[C@H]({152}CO)[C@@H]({153}CO)[C@H](C3=CC(OC)={54}C(O)C(OC)=C3)C2=C1OC 7 compound(s) in CSDB (view)
lyoniresinol SMILES O{6}C1=C(OC)C=C2CC({152}CO)C({153}CO)C(C3=CC(OC)={54}C(O)C(OC)=C3)C2=C1OC 1 compound(s) in CSDB (view)
(-)-5'-methoxyisolariciresinol SMILES O{6}C1=C(OC)C=C2C[C@H]({152}CO)[C@@H]({153}CO)[C@H](C3=CC(OC)={54}C(O)C(OC)=C3)C2=C1 2 compound(s) in CSDB (view)
(+)-5'-methoxyisolariciresinol SMILES O{6}C1=C(OC)C=C2C[C@@H]({152}CO)[C@H]({153}CO)[C@@H](C3=CC(OC)={54}C(O)C(OC)=C3)C2=C1 2 compound(s) in CSDB (view)
(+)-5-methoxy-lariciresinol SMILES O{4}C1=C(C=C(C=C1OC)[C@@H]2[C@@H]({9}CO)[C@@H](CC3=CC(OC)={54}C(C=C3)O)CO2)OC 1 compound(s) in CSDB (view)
(+)-5,5'-dimethoxy-lariciresinol SMILES O{4}C1=C(C=C(C=C1OC)[C@@H]2[C@@H]({9}CO)[C@@H](CC3=CC(OC)={54}C(C(OC)=C3)O)CO2)OC 1 compound(s) in CSDB (view)
(+)-8,8'-dimethoxy-secoisolariciresinol SMILES O{6}C(C(OC)=C1)=C(OC)C=C1C[C@H]({152}CO)[C@@H]({153}CO)CC2=CC(OC)={54}C(O)C(OC)=C2 1 compound(s) in CSDB (view)
9-hydroxy-tetrahydroalstonine SMILES [H][C@@]1(C2=C(C({9}C(O)=CC=C3)=C3N2)CCN1C4)C[C@@]5([H])[C@]4([H])[C@H](C)OC=C5C(OC)=O 1 compound(s) in CSDB (view)
benzofuran type neolignan SMILES O{4}C1=C(OC)C=C([C@H]([C@H]2{9}CO)OC3=C2C=C(/C=C/{59}CO)C(C)=C3OC)C=C1OC 1 compound(s) in CSDB (view)
3,3',4'5-tetrahydroxystilbene piceatannol SMILES O{54}C1={53}C(O)C=C(C=C1)/C=C/C2=C{5}C(O)=C{3}C(O)=C2 10 compound(s) in CSDB (view)
cis-piceatannol SMILES O{3}c2c{5}c(O)cc(/C=C\c1cc{54}c(O){53}c(O)c1)c2 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES Oc2cc(O)cc(/C=C\c1ccc(O)c(O)c1)c2$
resveratrol SMILES O{54}C1=CC=C(/C=C/C2=C{3}C(O)=C{5}C(O)=C2)C=C1 22 compound(s) in CSDB (view)
cis-resveratrol SMILES O{54}c2ccc(/C=C\c1c{3}c(O)c{5}c(O)c1)cc2 7 compound(s) in CSDB (view)	$Subst // Subst = SMILES Oc2ccc(/C=C\c1cc(O)cc(O)c1)cc2$
matairesinol SMILES COC1={4}C(O)C=CC(C[C@H]2COC([C@@H]2CC3=CC(OC)={54}C(O)C=C3)=O)=C1 8 compound(s) in CSDB (view)
threo-coniferyl-pinoresinol derivative SMILES [H][C@@]1([C@@H](C2=CC([C@H](CO)[C@H](O)C3=CC(OC)={4}C(O)C(OC)=C3)=C(O)C(OC)=C2)OC4)[C@@]4([H])[C@@H](C5=CC={54}C(O)C(OC)=C5)OC1 1 compound(s) in CSDB (view)
erythro-coniferyl-pinoresinol derivative SMILES [H][C@@]1([C@@H](C2=CC([C@H](CO)[C@@H](O)C3=CC(OC)={4}C(O)C(OC)=C3)=C(O)C(OC)=C2)OC4)[C@@]4([H])[C@@H](C5=CC={54}C(O)C(OC)=C5)OC1 1 compound(s) in CSDB (view)
(+)-epipinoresinol SMILES COc1cc([C@H]2OC[C@@H]3[C@H](c4cc{4}c(O)c(OC)c4)OC[C@H]23)cc{54}c1O 5 compound(s) in CSDB (view)
(+)-medioresinol SMILES COc4cc([C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c3cc(OC){54}c(O)c(OC)c3)cc{104}c4O 3 compound(s) in CSDB (view)
lanosterol SMILES C[C@@H]([C@H]1CC[C@@]2(C1CCC3=C2CC[C@H]4C(C)({3}[C@H](CC[C@]34C)O)C)C)CC/C=C(C)\C	$Subst // Subst = SMILES C[C@@H]([C@H]1CC[C@@]2(C1CCC3=C2CC[C@H]4C(C)([C@H](CC[C@]34C)O)C)C)CC/C=C(C)\C$
4β,23S-17,23-epoxy-3β,22β,28-trihydroxy-27-norlanost-8-en-24-one SMILES C[C@]1({28}CO){3}[C@@H](O)CC[C@]2(C)C3=C([C@@]4(CC[C@]([C@]4(CC3)C)(O5)[C@H](C){22}[C@H](O)[C@H]5C(CC)=O)C)CC[C@@]12[H] 2 compound(s) in CSDB (view)
23S-17,23-epoxy-3β,27,28-trihydroxy-27-norlanost-8-en-24-one SMILES [H][C@]12[C@@]({28}CO)({27}CO){3}[C@@H](O)CC[C@]1(C)C3=C([C@@]4(CC[C@]([C@]4(CC3)C)(O5)[C@H](C)C[C@H]5C(CC)=O)C)CC2 1 compound(s) in CSDB (view)
4β-17,23-epoxy-3β,28-dihydroxy-27-norlanost-8,22-dien-24-one SMILES C[C@]1({28}CO){3}[C@@H](O)CC[C@]2(C)C3=C([C@@]4(CC[C@]([C@]4(CC3)C)(O5)[C@H](C)C=C5C(CC)=O)C)CC[C@@]12[H] 1 compound(s) in CSDB (view)
23S-17,23-epoxy-27-norlanost-8-en-3β,15β,24,28-tetrol SMILES C[C@@]1({24}CO){3}[C@@H](O)CC[C@]2(C)C3=C([C@@]4({15}[C@H](O)C[C@]([C@]4(CC3)C)(O5)[C@H](C)C[C@H]5{28}C(O)CC)C)CC[C@@]12[H] 1 compound(s) in CSDB (view)
25R-17,23-epoxy-3β,23S,30,31-tetrahydroxy-lanost-8-en-26-oate 23,26-lactone SMILES [H][C@]12[C@@]({30}CO)({31}CO){3}[C@@H](O)CC[C@]1(C)C3=C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@H]5C)OC[C@@]5(O6)C[C@@H](C)C6=O)C)CC2 1 compound(s) in CSDB (view)
25R-17,23-epoxy-3β,23S,31-trihydroxy-lanost-8-en-26-oate 23,36-lactone SMILES C[C@]1({31}CO){3}[C@@H](O)CC[C@]2(C)C3=C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@H]5C)OC[C@@]5(O6)C[C@@H](C)C6=O)C)CC[C@@]12[H] 2 compound(s) in CSDB (view)
20R,24R-24,25-epoxy-3β,11β-dihydroxy-9,19-cyclolanost-7-en-16,23-dione SMILES C[C@@H]([C@H]1C(C[C@]2(C)[C@]1(C)C{11}[C@H](O)[C@]34C2=CC[C@@H]5[C@@]3(CC{3}[C@H](O)C5(C)C)C4)=O)CC([C@H]6C(C)(C)O6)=O 3 compound(s) in CSDB (view)
(22S,24Z)-3β-hydroxy-26-oxo-22,26-epoxy-9β,19-cyclolanost-24-en-28-oic acid abrusogenin SMILES C/C6=C/C[C@@H]([C@@H](C)C4CC[C@@]5(C)C2CCC1[C@](C)({28}C(=O)O){3}[C@@H](O)CC[C@@]13C[C@@]23CC[C@]45C)OC6=O 3 compound(s) in CSDB (view)
20R,24R-3β,11β,24,25-tetrahydroxy-9,19-cyclolanost-7-en-16,23-dione SMILES C[C@H](CC({24}[C@H](O){25}C(C)(C)O)=O)[C@H]1C(C[C@@]2([C@@]1(C{11}[C@@H]([C@]34C2=CC[C@@H]5[C@]3(C4)CC{3}[C@@H](C5(C)C)O)O)C)C)=O 1 compound(s) in CSDB (view)
20R,24R-24,25-epoxy-3β,11β,15-trihydroxy-9,19-cyclolanost-7-en-16,23-dione SMILES C[C@H](CC([C@H](O1)C1(C)C)=O)[C@H]2C({15}C(O)[C@@]3([C@@]2(C{11}[C@@H]([C@]45C3=CC[C@@H]6[C@]4(C5)CC{3}[C@@H](C6(C)C)O)O)C)C)=O 1 compound(s) in CSDB (view)
20R,24S-3β,16β,25-trihydroxy-20,24-epoxy-9,19-cyclolanost-6-one SMILES CC(C)([C@]12[H]){3}[C@@H](O)CC[C@]2(C3)C43CC[C@]5(C)[C@@H]([C@](C)(O6)CC[C@H]6{25}C(C)(O)C){16}[C@@H](O)C[C@](C)5[C@]4([H])CC1=O 1 compound(s) in CSDB (view)
(24S)-3β,16β,24,25-tetrahydroxy-9,19-cyclolanost-6-one SMILES CC(C)([C@]12[H]){3}[C@@H](O)CC[C@]2(C3)C43CC[C@]5(C)[C@@H]([C@H](C)CC{24}[C@H](O){25}C(C)(O)C){16}[C@@H](O)C[C@](C)5[C@]4([H])CC1=O 1 compound(s) in CSDB (view)
3β,6α,16β-trihydroxy-9,19-cyclolanost-24-ene SMILES C/C(C)=C\CC[C@@H](C)[C@H]4{16}[C@@H](O)C[C@@]5(C)C2C{6}[C@H](O)C1[C@@](C)(C){3}[C@@H](O)CC[C@@]13C[C@@]23CC[C@]45C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@@H](C)[C@H]4[C@@H](O)C[C@@]5(C)C2C[C@H](O)C1[C@@](C)(C)[C@@H](O)CC[C@@]13C[C@@]23CC[C@]45C$
3β,6β,16β-trihydroxy-9,19-cyclolanost-24-ene SMILES C/C(C)=C\CC[C@@H](C)[C@H]4{16}[C@@H](O)C[C@@]5(C)C2C{6}[C@@H](O)C1[C@@](C)(C){3}[C@@H](O)CC[C@@]13C[C@@]23CC[C@]45C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@@H](C)[C@H]4[C@@H](O)C[C@@]5(C)C2C[C@@H](O)C1[C@@](C)(C)[C@@H](O)CC[C@@]13C[C@@]23CC[C@]45C$
20R,24S-epoxy-9,19-cyclolanostane-3β,6α,16β,25-tetrol astramembrangenin = cycloastragenol SMILES CC1(C){3}[C@@H](O)CC[C@]2(C3)C43CC[C@]5(C)[C@@H]([C@](C)(O6)CC[C@H]6{25}C(C)(O)C){16}[C@@H](O)C[C@](C)5[C@]4([H])C{6}[C@H](O)[C@@]12[H] 41 compound(s) in CSDB (view)
22R,25-epoxy-9,19-cyclolanosta-3β,16β,24S-triol SMILES C[C@@H](C1C{24}[C@H](O)[C@](C)(C)O1)[C@H]5{16}[C@@H](O)C[C@@]6(C)C3CCC2[C@@](C)(C){3}[C@@H](O)CC[C@@]24C[C@@]34CC[C@]56C 2 compound(s) in CSDB (view)
20S,24R-epoxy-9,19-cyclolanostane-3β,6α,16β,25-tetrol cyclogalagenin SMILES C{25}[C@](C)(O)C6CC[C@@](C)(C4{16}[C@@H](O)C[C@@]5(C)C2C{6}[C@H](O)C1[C@@](C)(C){3}[C@@H](O)CC[C@@]13C[C@@]23CC[C@]45C)O6 2 compound(s) in CSDB (view)
5α-lanosta-8,24-diene-3α,21-diol SMILES O{3}[C@@H]1CC[C@]2(C)C3=C([C@@]4(CC[C@H]([C@H]({21}[CH2]O)CC/C=C(C)\C)[C@]4(CC3)C)C)CC[C@H]2C1(C)C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES O[C@@H]1CC[C@]2(C)C3=C([C@@]4(CC[C@H]([C@H]([CH2]O)CC/C=C(C)\C)[C@]4(CC3)C)C)CC[C@H]2C1(C)C$
(Z)-24-methyl-5α-lanosta-8,23,25-trien-3α-ol-21-oic acid SMILES O{3}[C@@H]1CC[C@]2(C)C3=C([C@@]4(CC[C@H]([C@H]({21}[CH2]O)C/C=C(C)/C(C)=C)[C@]4(CC3)C)C)CC[C@H]2C1(C)C 1 compound(s) in CSDB (view)
5α-lanosta-8,24-dien-3α-ol-21-oic acid fomitoside H, I aglycon SMILES C/C(C)=C\CC[C@@H]({21}C(=O)O)[C@H]1CC[C@@]2(C)/C4=C(CC[C@]12C)/[C@@]3(C)CC{3}[C@@H](O)C(C)(C)[C@@H]3CC4 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)/C4=C(CC[C@]12C)/[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC4$
fomitoside C aglycon SMILES C/C(C)=C\CC[C@@H]({21}C(=O)O)[C@H]1CC[C@@]2(C)/C4=C(CC[C@]12C)/[C@@]3(C)CCC(=O)C(C)(C)C3CC4 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)/C4=C(CC[C@]12C)/[C@@]3(C)CCC(=O)C(C)(C)C3CC4$
ganosinoside A aglycon SMILES C/C(C)=C\CCC({21}C(=O)O)[C@H]1CC[C@@]2(C)/C4=C(CC[C@]12C)/[C@@]3(C)CCC(=O)[C@](C)(C)C3CC4 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CCC(C(=O)O)[C@H]1CC[C@@]2(C)/C4=C(CC[C@]12C)/[C@@]3(C)CCC(=O)[C@](C)(C)C3CC4$
fomitoside E aglycon SMILES C[C@]([C@]1(C)CC2)(CC[C@@H]1[C@@H](C/C=C/{25}C(C)(O)C){21}C(O)=O)C3=C2[C@]4(C)[C@](CC3)([H])C(C)(C)[C@H](OC(C)=O)CC4 1 compound(s) in CSDB (view)
fomitoside K aglycon SMILES C[C@]([C@]1(C)CC2)(CC[C@@H]1[C@@H](CCC(C(C)C)=C){21}C(O)=O)C3=C2[C@]4(C)[C@](CC3)([H])C(C)(C){3}[C@H](O)CC4 3 compound(s) in CSDB (view)
3α-hydroxy-5α-lanosta-8,24-dien-21-oic acid SMILES C/C(C)=C\CC[C@@H]({21}C(=O)O)C1CC[C@@]2(C)/C4=C(CCC12C)/C3(C)CC{3}[C@@H](O)[C@](C)(C)[C@@H]3CC4 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@@H](C(=O)O)C1CC[C@@]2(C)/C4=C(CCC12C)/C3(C)CC[C@@H](O)[C@](C)(C)[C@@H]3CC4$
3α-hydroxy-(Z)-24-methyl-5α-lanosta-8,23,25-trien-21-oic acid SMILES O{3}[C@@H]1CC[C@@]2(C3=C(CC[C@H]2C1(C)C)[C@]4(C)CC[C@@H]([C@@]4(C)CC3)[C@@H](C/C=C(C(C)=C)\C){21}C(O)=O)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O[C@@H]1CC[C@@]2(C3=C(CC[C@H]2C1(C)C)[C@]4(C)CC[C@@H]([C@@]4(C)CC3)[C@@H](C/C=C(C(C)=C)\C)C(O)=O)C$
2,3,16,20,25-pentahydroxy-9-methyl-19-norlanost-5-ene-22-one SMILES C{25}C(C)(O)CCC(=O){20}[C@](C)(O)C3{16}C(O)C[C@@]4(C)C2C/C=C/1C(C{2}C(O){3}C(O)C1(C)C)[C@@]2(C)CC[C@]34C 1 compound(s) in CSDB (view)
2,3,16,20-tetrahydroxy-9-methyl-19-norlanost-5,24-diene-22-one SMILES C/C(C)=C\CC(=O){20}[C@](C)(O)C3{16}C(O)C[C@@]4(C)C2C/C=C/1C(C{2}C(O){3}C(O)C1(C)C)[C@@]2(C)CC[C@]34C	$Subst // Subst = SMILES C/C(C)=C\CC(=O)[C@](C)(O)C3C(O)C[C@@]4(C)C2C/C=C/1C(CC(O)C(O)C1(C)C)[C@@]2(C)CC[C@]34C$
(3β,5β,6α,8α,9β,16β,24S)-9,19-cyclolanostane-3,6,16,24,25-pentol SMILES C[C@H](CC{24}[C@H](O){25}C(C)(C)O)[C@H]1{16}[C@@H](O)C[C@@]2(C)[C@H]3C{6}[C@H](O)[C@@H]4C(C)(C){3}[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 1 compound(s) in CSDB (view)
(23R,24S)-16β,23:16α,24-diepoxy-9β,19-cyclolanostane-3β,15α,25-triol cimigenol SMILES C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2{25}C(C)(C)O){15}[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C){3}[C@@H](O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 6 compound(s) in CSDB (view)
(3β,5β,6α,8α,9β,16β,24S)-9,19-сyclolanostan-3,6,16,24,25-pentol cyclocanthogenin SMILES C[C@H](CC{24}[C@H](O){25}C(C)(C)O)[C@H]1{16}[C@@H](O)C[C@@]2(C)[C@@H]3C{6}[C@H](O)[C@H]4C(C)(C){3}[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 8 compound(s) in CSDB (view)
anemarrhenasaponin I aglycon SMILES C[C@]12[C@]([H])([C@]3([C@]([H])(CC2)[C@]4(C)[C@]([H])(CC3)C{3}[C@H](CC4)O)[H]){15}[C@H]([C@]5([C@@]1([C@H](C){22}C(O)(O5)CCC(C)C)[H])[H])O 3 compound(s) in CSDB (view)
anemarrhenasaponin II aglycon SMILES C[C@]12[C@]([H])([C@]3([C@]([H])(CC2)[C@]4(C)[C@]([H])(CC3)C{3}[C@H](CC4)O)[H]){15}[C@@H]([C@]5([C@@]1([C@H](C){22}C(O)(O5)CCC(C)C)[H])[H])O 1 compound(s) in CSDB (view)
anemarrhenasaponin IV aglycon SMILES C[C@]12[C@]([H])([C@]3([C@]([H])(CC2)[C@]4(C)[C@]([H])(CC3)C{3}[C@H](CC4)O)[H])C[C@]5([C@@]1(C(C)=C(O5)CC[C@@H](C){26}CO)[H])[H] 1 compound(s) in CSDB (view)
peruvianoside A aglycon SMILES C[C@@H]({17}[C@@]1(O)[C@@H](O{23}[C@H]2O)C[C@@]3([C@]1(C)CCC4=C3CC[C@H]5C(C)({3}[C@H](CC[C@]45C)O)C)C)[C@H]2/C=C(C)/C(OC)=O 1 compound(s) in CSDB (view)
peruvianoside B aglycon SMILES C[C@@H]({17}[C@@]1(O)[C@@H](O{23}[C@H]2O)C[C@@]3([C@]1(C)CCC4=C3CC[C@H]5[C@](C)({3}[C@H](CC[C@]45C)O){31}CO)C)[C@H]2/C=C(C)/C(OC)=O 1 compound(s) in CSDB (view)
ebuloside aglycon SMILES CC(C)CC(O[C@H]1[C@@]2([H])[C@@](CC([C@@H]2C)=O)([H])C({11}CO)=CO1)=O 1 compound(s) in CSDB (view)
7,7'-dihydroebuloside 3-methylbutanoate aglycon SMILES CC(C)CC(O[C@H]1[C@@]2([H])[C@@](C{7}[C@H](O)[C@@H]2C)([H])C({11}CO)=CO1)=O 1 compound(s) in CSDB (view)
3β,19α-dihydroxyurs-12-en-28-oic acid pomolic acid SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H]){19}[C@](C)(O)[C@H](C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 27 compound(s) in CSDB (view)
3β,23-dihydroxy-urs-12-en-28-oic acid SMILES C[C@@]1({23}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
3β-hydroxyurs-12-en-27,28-dioic acid quinovic acid SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]({28}C(O)=O)5CC[C@]({27}C(O)=O)4[C@@](C)3CCC2C1(C)C 40 compound(s) in CSDB (view)
3β-hydroxyurs-12,20(30)-dien-27,28-dioic acid 20(30)-en-quinovic acid SMILES O{3}[C@H](C(C)(C1CC[C@@]([C@](CC[C@@](CC2)3{28}C(O)=O)4{27}C(O)=O)5C)C)CC[C@]1(C)[C@@]5([H])CC=C4[C@]3([H])[C@@H](C)C2=C 1 compound(s) in CSDB (view)
3β,19α,24β-trihydroxy-urs-12-en-23,28-dioic acid 24-oxorotundioic acid SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)[C@@]5({24}CO){23}C(O)=O 1 compound(s) in CSDB (view) (trivial name to be checked)
3β,19α-dihydroxy-urs-12-en-24,28-dioic acid SMILES C[C@]1({24}C(O)=O){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H]){19}[C@](C)(O)[C@H](C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
2α,3β,19α-trihydroxy-urs-12-en-24,28-dioic acid SMILES C[C@]1({24}C(O)=O){3}[C@@H](O){2}[C@H](O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H]){19}[C@](C)(O)[C@H](C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
urs-12-en-3β-ol-28-oic acid ursolic acid SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CCC2C1(C)C 21 compound(s) in CSDB (view)
urs-12-en-3β,21β-diol-28-oic acid 21β-hydroxyursolic acid SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C){21}[C@@H](O)C[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CCC2C1(C)C 3 compound(s) in CSDB (view)
urs-12-en-3β,23-diol-28-oic acid 23-hydroxyursolic acid SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CCC2[C@]1(C){23}CO 2 compound(s) in CSDB (view)
urs-12-en-3β,27-diol-28-oic acid 27-hydroxyursolic acid SMILES O{3}[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C4[C@@]3({27}CO)CC[C@]5({28}C(O)=O)C4[C@@H](C)[C@H](C)CC5)C1(C)C 2 compound(s) in CSDB (view)
urs-12-en-3β-ol-27-oxo-28-oic acid 27-oxoursolic acid SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]({28}C(O)=O)5CC[C@](C=O)4[C@@](C)3CCC2C1(C)C 1 compound(s) in CSDB (view)
3β-hydroxyurs-20-en-28-oic acid SMILES C/C5=C/C[C@]4({28}C(=O)O)CC[C@]3(C)C(CCC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@]23C)C4[C@H]5C 3 compound(s) in CSDB (view)
2α,3β,19α-trihydroxy-urs-12-en-23,28-dioic acid SMILES C[C@@H]5CC[C@]4({28}C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2[C@@]1(C)C{2}[C@@H](O){3}[C@H](O)[C@@](C)({23}C(=O)O)C1CC[C@]23C)[C@@H]4{19}[C@]5(C)O 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H]5CC[C@]4(C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2[C@@]1(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)C1CC[C@]23C)[C@@H]4[C@]5(C)O$
1β,2α,3β,19α-tetrahydroxyurs-12-en-28-oic acid SMILES C[C@H]5C[C@@H]({28}C(=O)O)C4CC[C@]1(C)/C(=C\CC3[C@@]1(C)CCC2[C@@](C)(C){3}[C@@H](O){2}[C@H](O){1}[C@@H](O)[C@@]23C)C4{19}[C@]5(C)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]5C[C@@H](C(=O)O)C4CC[C@]1(C)/C(=C\CC3[C@@]1(C)CCC2[C@@](C)(C)[C@@H](O)[C@H](O)[C@@H](O)[C@@]23C)C4[C@]5(C)O$
(3β)-3,19,24-trihydroxyurs-12-en-28-oic acid rotungenic acid SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)[C@@]5({24}CO)C 1 compound(s) in CSDB (view)
3β,19-dihydroxyurs-12-ene-23,28-dioic acid rotundioic acid SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C([C@@H]2{19}[C@@]1(O)C)=CC[C@@H]4[C@]5(CC{3}[C@@H]([C@@]({23}C(O)=O)([C@@H]5CC[C@]43C)C)O)C)C){28}C(O)=O 2 compound(s) in CSDB (view)
6R-linalool SMILES C/C(C)=C\CC{6}[C@@](C)(O)C=C 12 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@@](C)(O)C=C$
6S-linalool SMILES C/C(C)=C\CC{6}[C@](C)(O)C=C 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@](C)(O)C=C$
9-hydroxy-6R-linalool SMILES CC(CO)=CCC{6}[C@@](C)(O)C=C 1 compound(s) in CSDB (view)
cis-linalool-3,6-oxide SMILES C{7}C(C)(O)[C@H]1CC[C@](C)(O1)C=C 1 compound(s) in CSDB (view)
trans-linalool-3,6-oxide SMILES C[C@]1(CC[C@H](O1){7}C(C)(C)O)C=C 1 compound(s) in CSDB (view)
10-hydroxy-trans-linalool-3,6-oxide SMILES C{7}C(C)(O)[C@H](O1)CC[C@@]1(C=C){10}CO 1 compound(s) in CSDB (view)
10-hydroxy-cis-linalool-3,6-oxide SMILES C{7}C(C)(O)[C@@H](O1)CC[C@@]1(C=C){10}CO 1 compound(s) in CSDB (view)
cis-linalool-3,7-oxide SMILES CC1(O[C@](CC{6}[C@H]1O)(C=C)C)C 1 compound(s) in CSDB (view)
trans-linalool-3,7-oxide SMILES CC1(O[C@](CC{6}[C@@H]1O)(C=C)C)C 1 compound(s) in CSDB (view)
1,2,10-trihydroxy-dihydro-trans-linalool-3,6-oxide SMILES C{7}C(C)(O)[C@H](O1)CC[C@@]1([C@@H](O)CO){10}CO 1 compound(s) in CSDB (view)
6E,10E,14E-13-hydroxy-3S-geranyllinalool-16-oic acid SMILES C=C{3}[C@@](C)(O)CC/C=C(C)/CC/C=C(C)/C{13}[CH](O)/C=C(C)/{16}C(O)=O 10 compound(s) in CSDB (view)
6E,10E,14E-13,19-dihydroxy-3S-geranyllinalool-16-oic acid SMILES C=C{3}[C@@](C)(O)CC/C=C({19}CO)/CC/C=C(C)/C{13}[CH](O)/C=C(C)/{16}C(O)=O 1 compound(s) in CSDB (view)
6E,10E,14Z-20-hydroxy-3S-geranyllinalool SMILES C=C{3}[C@@](C)(O)CC/C=C(C)/CC/C=C(C)/CC/C=C({20}CO)/C 9 compound(s) in CSDB (view) ( sometimes incorrectly referred as 17-hydroxy-...)
6E,10E,14Z-20-hydroxy-geranyllinalool SMILES C=C{3}C(C)(O)CC/C=C(C)/CC/C=C(C)/CC/C=C({20}CO)/C 8 compound(s) in CSDB (view)
6E,10E,14Z-12,20-dihydroxy-geranyllinalool SMILES C=C{3}[C@@](C)(O)CC/C=C(C)/CC/C=C(C)/{12}C(O)C/C=C(C)\{20}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C[C@@](C)(O)CC/C=C(C)/CC/C=C(C)/C(O)C/C=C(C)\CO$
1,6-dihydroxy-2E,6R-dimethyl-2E,7-octadiene 1-hydroxy-6R-linalool SMILES C=C{6}[C@](C)(O)CC/C=C(C)/{1}CO 3 compound(s) in CSDB (view)
10-hydroxy-deca-4E,6E-dienoic acid notoginsenic acid SMILES O={1}C(O)CC/C=C/C=C/CC{10}CO 2 compound(s) in CSDB (view)
11-hydroxyhexadecanoic acid jalapinolic acid SMILES CCCCC{11}[C@H](O)CCCCCCCCC{1}C(=O)O 2 compound(s) in CSDB (view)
11S-hydroxypentadecanoic acid SMILES CCCCC{11}[C@@H](O)CCCCCCCCC{1}C(=O)O
11S-hydroxytetradecanoic acid (S)-convolvulinolic acid SMILES CCCC{11}[C@@H](O)CCCCCCCCC{1}C(=O)O 6 compound(s) in CSDB (view)
15-hydroxy-9Z,12Z-octadecadienoic acid 15-hydroxy-linoleic acid = avenoleic acid SMILES CCC{15}C(O)C/C=C/C/C=C/CCCCCCC{1}C(=O)O 1 compound(s) in CSDB (view)
decanedioic acid sebacic acid SMILES O={1}C(O)CCCCCCCC{10}C(=O)O 1 compound(s) in CSDB (view)
3S,11S-dihydroxy-palmitic acid SMILES CCCCC{11}[C@H](O)CCCCCCC{3}[C@H](O)C{1}C(O)=O 1 compound(s) in CSDB (view)
3S,11S-ipurolic acid SMILES O{3}[C@@H](CCCCCCC{11}[C@H](CCC)O)C{1}C(O)=O 2 compound(s) in CSDB (view)
7-hydroxytetradeca-2E,4E,8E,10E-tetraenoic acid SMILES CCC/C=C/C=C/{7}C(O)C/C=C/C=C/{1}C(=O)O 5 compound(s) in CSDB (view)
2-hydroxyoctadeca-6,10-dienoic acid SMILES CCCCCCC/C=C/CC/C=C/CCC{2}C(O){1}C(=O)O 2 compound(s) in CSDB (view)
2R,16S,17R,21S-tetrahydroxyhexacosanoic acid SMILES CCCCC{21}[C@H](O)CCC{17}[C@@H](O){16}[C@@H](O)CCCCCCCCCCCCC{2}[C@@H](O){1}C(=O)O 4 compound(s) in CSDB (view)
2R,17S,18R,22R-tetrahydroxyhexacosanoic acid SMILES CCCC{22}[C@@H](O)CCC{18}[C@@H](O){17}[C@@H](O)CCCCCCCCCCCCCC{2}[C@@H](O){1}C(=O)O 4 compound(s) in CSDB (view)
2R,17R,18R,22R-tetrahydroxyhexacosanoic acid SMILES CCCC{22}[C@@H](O)CCC{18}[C@@H](O){17}[C@H](O)CCCCCCCCCCCCCC{2}[C@@H](O){1}C(=O)O 4 compound(s) in CSDB (view)
3,15,16-trihydroxyhexadecanoic acid SMILES O={1}C(O)C{3}C(O)CCCCCCCCCCC{15}C(O){16}CO 3 compound(s) in CSDB (view)
15-hydroxypentadecanoic acid SMILES O={1}C(O)CCCCCCCCCCCCC{15}CO 1 compound(s) in CSDB (view)
11-hydroxylauric acid SMILES C{11}C(O)CCCCCCCCC{1}C(O)=O
17-hydroxyoctadec-9E-enoic acid SMILES C{17}C(O)CCCCCC/C=C/CCCCCCC{1}C(O)=O 2 compound(s) in CSDB (view)
17-hydroxy-ricinoleic acid SMILES C{17}C(O)CCCC{12}C(O)C/C=C/CCCCCCC{1}C(=O)O 4 compound(s) in CSDB (view)
19-hydroxyicosa-5Z,8Z,11Z,14Z,17Z-pentaenoic acid SMILES C{19}C(O)/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC{1}C(O)=O 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(O)/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O$
2R-hydroxyoctadec-3E-enoic acid SMILES CCCCCCCCCCCCCC/C=C/{2}[C@@H](O){1}C(=O)O 1 compound(s) in CSDB (view)
dodec-2E-enoic acid SMILES CCCCCCCCC/C=C/{1}C(=O)O 1 compound(s) in CSDB (view)
hexadec-7E-enoic acid SMILES CCCCCCCC/C=C/CCCCC{1}C(=O)O 2 compound(s) in CSDB (view)
hexadec-7Z-enoic acid SMILES CCCCCCCC/C=C\CCCCC{1}C(=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCC/C=C\CCCCCC(=O)O$
15-hydroxyhexadec-9E-enoic acid SMILES C{15}C(O)CCCC/C=C/CCCCCCC{1}C(=O)O 1 compound(s) in CSDB (view)
18-hydroxylinoleic acid SMILES O={1}C(O)CCCCCCC/C=C\C/C=C\CCCC{18}CO 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)CCCCCCC/C=C\C/C=C\CCCCCO$
19-hydroxyarachidic acid SMILES C{19}C(O)CCCCCCCCCCCCCCCCC{1}C(O)=O 1 compound(s) in CSDB (view)
2,15-dihydroxypentadecanoic acid SMILES O{15}CCCCCCCCCCCCC{2}C(O){1}C(O)=O 1 compound(s) in CSDB (view)
2,16-dihydroxyhexadecanoic acid SMILES O{16}CCCCCCCCCCCCCC{2}C(O){1}C(O)=O 5 compound(s) in CSDB (view)
2,17,18-trihydroxyoctadecanoic acid SMILES O{18}C{17}C(O)CCCCCCCCCCCCCC{2}C(O){1}C(O)=O 1 compound(s) in CSDB (view)
2,2-dimethyl-3-oxoicosa-4E,11E,13E,18E-tetraenoic acid SMILES C/C=C/CCC/C=C/C=C/CCCCC/C=C/C(=O)C(C)(C){1}C(=O)O 2 compound(s) in CSDB (view)
2R-hydroxytricosanoic acid SMILES CCCCCCCCCCCCCCCCCCCCC{2}[C@@H](O){1}C(=O)O 2 compound(s) in CSDB (view)
2-hydroxyheptadec-3E-enoic acid SMILES CCCCCCCCCCCCC/C=C/{2}C(O){1}C(=O)O 2 compound(s) in CSDB (view)
2-hydroxyoctadeca-3E-enoic acid SMILES CCCCCCCCCCCCCC/C=C/{2}C(O){1}C(=O)O 1 compound(s) in CSDB (view)
2-hydroxyoleic acid SMILES CCCCCCCC/C=C\CCCCCC{2}C(O){1}C(O)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCC/C=C\CCCCCCC(O)C(O)=O$
8-hydroxytetradec-5E-enoic acid SMILES CCCCCC{8}C(O)C/C=C/CCC{1}C(=O)O 1 compound(s) in CSDB (view)
7-hydroxydodeca-2E,4E,8E,10E-tetraenoic acid SMILES C/C=C/C=C/{7}C(O)C/C=C/C=C/{1}C(=O)O 1 compound(s) in CSDB (view)
2R-hydroxytrideca-3E,5E,7E,9E-tetraenoic acid SMILES CCC/C=C/C=C/C=C/C=C/{2}[C@@H](O){1}C(O)=O 2 compound(s) in CSDB (view)
20-hydroxyicosa-5Z,8Z,11Z,14Z-tetraenoic acid SMILES O={1}C(O)CCC/C=C\C\C=C/C/C=C\C\C=C/CCCC{20}CO 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)CCC/C=C\C\C=C/C/C=C\C\C=C/CCCCCO$
21-hydroxydocosa-4Z,7Z,10Z,13Z,16Z,19Z-hexaenoic acid SMILES C{21}C(O)/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC{1}C(O)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(O)/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(O)=O$
21-hydroxydocosa-8E,11E,14E-trienoic acid SMILES O={1}C(O)CCCCCC/C=C/C/C=C/C/C=C/CCCCC{21}C(O)C 1 compound(s) in CSDB (view)
2R-hydroxynonadec-3E-enoic acid cerebronic acid SMILES CCCCCCCCCCCCCCC/C=C/{2}[C@@H](O){1}C(O)=O 6 compound(s) in CSDB (view)
2S,17,18S,22R-tetrahydroxyhexacosanoic acid SMILES CCCC{22}[C@@H](O)CCC{18}[C@H](O){17}C(O)CCCCCCCCCCCCCC{2}[C@H](O){1}C(O)=O 2 compound(s) in CSDB (view)
2S,16R,17S,21R-tetrahydroxyhexacosanoic acid SMILES CCCCC{21}[C@@H](O)CCC{17}[C@H](O){16}[C@H](O)CCCCCCCCCCCCC{2}[C@H](O){1}C(O)=O 1 compound(s) in CSDB (view)
11-hydroxyoctadeca-7E,9E-dienoic acid SMILES CCCCCCC{11}C(O)/C=C/C=C/CCCCC{1}C(O)=O 1 compound(s) in CSDB (view)
10R-hydroxystearic acid SMILES CCCCCCCC{10}[C@@H](O)CCCCCCCC{1}C(=O)O 1 compound(s) in CSDB (view)
2R-hydroxyheneicosanoic acid SMILES CCCCCCCCCCCCCCCCCCC{2}[C@@H](O){1}C(O)=O 1 compound(s) in CSDB (view)
2R-hydroxy-heneicos-3E-enoic acid SMILES CCCCCCCCCCCCCCCCC/C=C/{2}[C@@H](O){1}C(O)=O 1 compound(s) in CSDB (view)
18-hydroxyoctadec-9Z-enoic acid SMILES O{17}CCCCCCCC/C=C\CCCCCCC{1}C(O)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OCCCCCCCC/C=C\CCCCCCCC(O)=O$
oxophytodienoic acid SMILES CCC/C=C\CC1C(C=CC1=O)CCCCCCC{1}C(O)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCC/C=C\CC1C(C=CC1=O)CCCCCCCC(O)=O$
11S-hydroxytetradecanoic acid 11(S)-convolvulinolic acid SMILES CCC{11}[C@@H](CCCCCCCCC{1}C(=O)O)O 3 compound(s) in CSDB (view)
17-hydroxy-docosanoic acid 17-hydroxybehenic acid SMILES CCCCC{17}C(O)CCCCCCCCCCCCCCC{1}C(O)=O 9 compound(s) in CSDB (view)
10-hydroxystearic acid SMILES CCCCCCCC{10}C(O)CCCCCCCC{1}C(=O)O 1 compound(s) in CSDB (view)
pentacosanoic acid hyenic acid SMILES CCCCCCCCCCCCCCCCCCCCCCCC{1}C(O)=O 2 compound(s) in CSDB (view)
8Z-hexadecenoic acid SMILES CCCCCCC/C=C\CCCCCC{1}C(O)=O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCC/C=C\CCCCCCC(O)=O$
3,11-dihydroxytetradecanoic acid ipurolic acid SMILES CCC{11}C(O)CCCCCCC{3}C(O)C{1}C(O)=O 1 compound(s) in CSDB (view)
2-hydroxy-cis-15-tetracosenoic acid 2-hydroxynervonic acid SMILES CCCCCCCC/C=C\CCCCCCCCCCCCC(O){1}C(=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCC/C=C\CCCCCCCCCCCCC(O)C(=O)O$
2-hydroxy-cis-17-hexacosenoic acid SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCCC(O){1}C(=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCCC(O)C(=O)O$
9Z,12Z,15Z-octadecatrienoic acid SMILES CC\C=C/C\C=C/C\C=C/CCCCCCC{1}C(=O)O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O$
2R,31-dihydroxy dotriacontanoic acid SMILES C{31}C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC{2}[C@@H](O){1}C(O)=O 5 compound(s) in CSDB (view)
25-hydroxy-hexacosanoic acid SMILES C{25}C(O)CCCCCCCCCCCCCCCCCCCCCCC{1}C(O)=O 2 compound(s) in CSDB (view)
2R-hydroxynonadecanoic acid SMILES CCCCCCCCCCCCCCCCC{2}[C@@H](O){1}C(O)=O 3 compound(s) in CSDB (view)
2R-hydroxy-heptadec-3E-enoic acid SMILES CCCCCCCCCCCCC/C=C/{2}[C@@H](O){1}C(O)=O 1 compound(s) in CSDB (view)
2R-hydroxy-tetracos-17Z-enoic acid SMILES O={1}C(O){2}[C@H](O)CCCCCCCCCCCCCC/C=C\CCCCCC 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)[C@H](O)CCCCCCCCCCCCCC/C=C\CCCCCC$
2R,3-dihydroxy-tetracos-17Z-enoic acid SMILES O={1}C(O){2}[C@H](O){3}C(O)CCCCCCCCCCCCC/C=C\CCCCCC 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)[C@H](O)C(O)CCCCCCCCCCCCC/C=C\CCCCCC$
2R-hydroxy-icos-3E-enoic acid SMILES CCCCCCCCCCCCCCCC/C=C/{2}[C@@H](O){1}C(O)=O 1 compound(s) in CSDB (view)
6S-hydroxy-2,6-dimethyl-octa-2E,7-dienoic acid 6S-menthiafolic acid SMILES C=C{6}[C@@](C)(O)CC/C=C(C)/{1}C(O)=O 9 compound(s) in CSDB (view)
6R-hydroxy-2,6-dimethyl-octa-2E,7-dienoic acid 6R-menthiafolic acid SMILES C=C{6}[C@](C)(O)CC/C=C(C)/{1}C(O)=O 1 compound(s) in CSDB (view)
6S-hydroxy-2-hydroxymethyl-6-methyl-2E,7-octadienoic acid SMILES C=C{6}[C@@](C)(O)CC/C=C({9}CO)/{1}C(O)=O 11 compound(s) in CSDB (view)
6R-hydroxy-2-hydroxymethyl-6-methyl-2E,7-octadienoic acid SMILES C=C{6}[C@](C)(O)CC/C=C({9}CO)/{1}C(O)=O 2 compound(s) in CSDB (view)
8-hydroxy-2,6-dimethyl-octa-2E,6Z-dien-oic acid 6Z-foliamenthic acid SMILES O={1}C(O)/C(C)=C/CC/C(C)=C\{8}CO 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)/C(C)=C/CC/C(C)=C\CO$
8-hydroxy-2,6-dimethyl-octa-2E,6E-dien-oic acid foliamenthic acid SMILES O={1}C(O)/C(C)=C/CC/C(C)=C/{8}CO 4 compound(s) in CSDB (view)
(stereo at C5 is unknown) 5,8-dihydroxy-2,6-dimethyl-octa-2E,6E-dienoic acid SMILES O={1}C(O)/C(C)=C/C{5}[CH](O)/C(C)=C/{8}CO 1 compound(s) in CSDB (view)
(stereo at C6 is unknown) 8-hydroxy-2,6-dimethyl-2E-octenoic acid 6,7-dihydrofoliamenthic acid SMILES O={1}C(O)/C(C)=C/CCC(C)C{8}CO 3 compound(s) in CSDB (view)
2,4,7-triamino-5-hydroxy-octane-1,8-dioic acid SMILES N{2}[C@H]({1}C(O)=O)C{4}[C@@H](N){5}[C@H](O)C{7}[C@H](N){8}C(O)=O 4 compound(s) in CSDB (view)
2-methyl-2-hydroxybutanoic acid SMILES CC{2}C(O)(C){1}C(O)=O 2 compound(s) in CSDB (view)
all-trans-crocetin SMILES C/C(=C\C=C\C=C(C)\C=C\C=C(C)\{1}C(=O)O)/C=C/C=C(C)/{16}C(=O)O 8 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\C=C\C=C(C)\C=C\C=C(C)\C(=O)O)/C=C/C=C(C)/C(=O)O$
13-cis-crocetin SMILES C/C(=C\C=C\C=C(C)/C=C/C=C(C)/{1}C(=O)O)/C=C/C=C(C)/{16}C(=O)O 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\C=C\C=C(C)/C=C/C=C(C)/C(=O)O)/C=C/C=C(C)/C(=O)O$
2,4,6,8,10,12,14,16,18-nonamethyl-5,9,13-trihydroxy-2E,6E,10E-eicosatrienoic acid roselipin aglycon SMILES CCC(CC(CC({13}C(O)C(/C=C({9}C(O)C(/C=C({5}C(O)C(/C=C({1}C(O)=O)\C)C)\C)C)\C)C)C)C)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCC(CC(CC(C(O)C(/C=C(C(O)C(/C=C(C(O)C(/C=C(C(O)=O)\C)C)\C)C)\C)C)C)C)C$
7-hydroxy-8,14-dimethylhexadeca-2E,4E,8E,10E-tetraenoic acid SMILES CCC(C)CC/C=C/C=C(C)/{7}C(O)C/C=C/C=C/{1}C(=O)O 11 compound(s) in CSDB (view)
2-hydroxy-21-methyltricosanoic acid SMILES CCC(C)CCCCCCCCCCCCCCCCCC{2}C(O){1}C(=O)O 1 compound(s) in CSDB (view)
2,4,6,8,10,12,14,16,18-nonamethyl-5,9,13-trihydroxy-2E,6E,10E,14E-icosatetraenoic acid rogerson aglycon SMILES CC[C@H](C)C[C@H](C)/C=C(C)/{13}[C@@H](O)[C@@H](C)/C=C(C)/{9}[C@@H](O)[C@@H](C)/C=C(C)/{5}[C@@H](O)[C@@H](C)/C=C(C)/{1}C(=O)O 17 compound(s) in CSDB (view)
2,4,6,8,10,12,14,16,18-nonamethyl-5,9,13-trihydroxy-2E,6E,10E-icosatrienoic acid SMILES CC[C@H](C)C[C@H](C)C[C@H](C){13}[C@@H](O)[C@@H](C)/C=C(C)/{9}[C@@H](O)[C@@H](C)/C=C(C)/{5}[C@@H](O)[C@@H](C)/C=C(C)/{1}C(O)=O 24 compound(s) in CSDB (view)
15-methyloctadecanoic acid SMILES CCCC(C)CCCCCCCCCCCCC{1}C(=O)O 1 compound(s) in CSDB (view)
16-methylnonadecanoic acid SMILES CCC(C)CCCCCCCCCCCCCC{1}C(=O)O 2 compound(s) in CSDB (view)
3,7,11,15-tetrahydroxy-2,4,6,8,10,12,14,16,18,20-decamethyldocosa-4E,8E,12E-trienoic acid SMILES CCC(C)CC(C)CC(C){15}C(O)C(C)/C=C(C)/{11}C(O)C(C)/C=C(C)/{7}C(O)C(C)/C=C(C)/{3}C(C(C){1}C(O)=O)O 2 compound(s) in CSDB (view)
2,4S,6S-trimethyl-tetracos-2E-enoic acid SMILES CCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)/C=C(C)\{1}C(=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)/C=C(C)\C(=O)O$
2,4S,6S,8S-tetramethyl-tetracos-2E-enoic acid SMILES CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(C)\{1}C(=O)O 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(C)\C(=O)O$
2,4S,6S,8S,10S-pentamethyl-tetracos-2E-enoic acid SMILES CCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)/C=C(C)\{1}C(=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)/C=C(C)\C(=O)O$
1,3-dihydroxy-2,7-dimethoxyxanthone SMILES O=C1C2=C(OC3=C1C=C(OC)C=C3)C={3}C(O)C(OC)={1}C2O 1 compound(s) in CSDB (view)
1,3,6-trihydroxy-7-methoxyxanthone SMILES O=C1C2=C(OC3=C1C=C(OC){6}C(S)=C3){4}C={3}C(O)C={1}C2O 1 compound(s) in CSDB (view)
1,3,4,7-tetrahydroxyxanthone SMILES O=C1C2=C(OC3=C1C={7}C(O)C=C3){4}C(O)={3}C(O)C={1}C2O 1 compound(s) in CSDB (view)
1,5,8-trihydroxy-3-methoxy-9H-xanthen-9-one bellidifolin SMILES O{5}C1=C{7}C={8}C(C2=C1OC3=C(C2=O){1}C(O)=CC(OC)=C3)O 2 compound(s) in CSDB (view)
xanthone SMILES O=C1C2=C(OC3={4}C({3}C(O)=C{1}C(O)=C31)O)C=CC=C2 2 compound(s) in CSDB (view)
1,3,5-trihydroxyxanthone SMILES O=c2c1ccc{5}c(O)c1oc3c{3}c(O)c{1}c(O)c23 1 compound(s) in CSDB (view)
norswertianin SMILES O=c2c1{1}c(O)c{3}c(O)cc1oc3cc{7}c(O){8}c(O)c23 1 compound(s) in CSDB (view)
1,3,5,6,7,8-hexahydroxyxanthone SMILES O=c2c1{1}c(O)c{3}c(O)cc1oc3{5}c(O){6}c(O){7}c(O){8}c(O)c23 1 compound(s) in CSDB (view)
1,2,3,4,5,7-hexahydroxyxanthone SMILES O=c2c1c{7}c(O)c{5}c(O)c1oc3{4}c(O){3}c(O){2}c(O){1}c(O)c23 2 compound(s) in CSDB (view)
1,2,3,4,5-pentahydroxyxanthone SMILES O=c2c1ccc{5}c(O)c1oc3{4}c(O){3}c(O){2}c(O){1}c(O)c23 1 compound(s) in CSDB (view)
1,2,3,4,7-pentahydroxyxanthone SMILES O=c2c1c{7}c(O)ccc1oc3{4}c(O){3}c(O){2}c(O){1}c(O)c23 1 compound(s) in CSDB (view)
1,2,3,5-tetrahydroxyxanthone SMILES O=c2c1ccc{5}c(O)c1oc3c{3}c(O){2}c(O){1}c(O)c23 1 compound(s) in CSDB (view)
1,2,3,7-tetrahydroxyxanthone SMILES O=c2c1c{7}c(O)ccc1oc3c{3}c(O){2}c(O){1}c(O)c23
1,3,5,8-tetrahydroxyxanthone SMILES O=c2c1{1}c(O)c{3}c(O)cc1oc3{5}c(O)c{7}c{8}c(O)c23 2 compound(s) in CSDB (view)
1,5,8-trihydroxy-3-methoxy-6,7-tetrahydro-9H-xanthen-9-one 6,7-tetrahydrobellidifolin SMILES O{5}[C@H]1C2=C({8}[C@H](CC1)O)C(C3=C(O2)C=C(OC)C={1}C3O)=O 1 compound(s) in CSDB (view)
1,3,6,7-tetrahydroxyxanthen-9-one norathyriol SMILES {2}C1={3}C({4}C=C2C(={1}C1O)C(=O)C3=C{7}C(={6}C(C=C3O2)O)O)O 3 compound(s) in CSDB (view)
1,7-dihydroxy-9H-xanthen-9-one euxanthone SMILES O=c1c2c{7}c(O)ccc2oc2ccc{1}c(O)c12 3 compound(s) in CSDB (view)
1,3,7-trihydroxy-9H-xanthen-9-one gentisein SMILES O=c2c1c{7}c(O)ccc1oc3{4}c{3}c(O){2}c{1}c(O)c23 6 compound(s) in CSDB (view)
1,3,5,6-tetrahydroxyxanthen-9-one SMILES O=c1c2cc{5}c(O){6}c(O)c2oc2c{3}c(O)c{1}c(O)c12 2 compound(s) in CSDB (view)
6,7-dihydroxycoumarin cichorigenin = aesculetin = esculetin SMILES O{7}C(C=C(OC1=O)C(C=C1)=C2)={6}C2O 11 compound(s) in CSDB (view)
5,7-dimethoxy-6-hydroxycoumarin fraxinol SMILES O=C1OC2=C(C(OC)={6}C(O)C(OC)=C2)C=C1 2 compound(s) in CSDB (view)
7,8-dihydroxycoumarin SMILES O=C1OC2=C(C=C{7}C(O)={8}C2O)C=C1 3 compound(s) in CSDB (view)
5,6,7-trihydroxycoumarin SMILES O=C1OC2=C({5}C(O)={6}C(O){7}C(O)=C2)C=C1 1 compound(s) in CSDB (view)
5,7,8-trihydroxycoumarin SMILES O=C1OC2=C({5}C(O)=C{7}C(O)={8}C2O)C=C1 4 compound(s) in CSDB (view)
5,6,7,8-tetrahydroxycoumarin SMILES O=C1OC2=C({5}C(O)={6}C(O){7}C(O)={8}C2O)C=C1 4 compound(s) in CSDB (view)
5,6,8-trihydroxy-3-methylisocoumarin SMILES CC1=CC2=C(C(O1)=O){8}C(O)=C{6}C(O)={5}C2O 2 compound(s) in CSDB (view)
13-epitorreferol SMILES C=C{13}[C@](O)(C)CC[C@H]1C(CC[C@@]2([H])[C@](C)({18}CO)CCC[C@]12C)=C 1 compound(s) in CSDB (view)
3β-hydroxymanool SMILES C=C1CC[C@]2([H])[C@@](CC{3}[C@H](O)C2(C)C)(C)[C@H]1CC{13}[C@](C)(C=C)O 2 compound(s) in CSDB (view)
13E-labda-8(17),13-dien-3β,15-diol SMILES C=C1CC[C@]2([H])[C@@](CC{3}[C@H](O)C2(C)C)(C)[C@H]1CC/C(C)=C/{15}CO 1 compound(s) in CSDB (view)
13-hydroxymethyl-betolide SMILES C[C@@]12C3=C4C(C(O{15}[C@@H]4O)=O)=C({17}CO){14}C(O)=C3CC[C@@]1([H])C(C)(C)CCC2 4 compound(s) in CSDB (view)
12-hydroxy-all-trans-farnesol SMILES C/C(CC/C=C(CC/C=C({12}CO)\C)\C)=C\{1}CO 6 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(CC/C=C(CC/C=C(CO)\C)\C)=C\CO$
3,7,11-trimethyl-dodeca-2E,6E,11S-dien-1,12-diol SMILES O{1}C/C=C(C)/CC/C=C(C)/CCC[C@H](C){12}CO 4 compound(s) in CSDB (view)
jatropham SMILES O=C1N{5}[C@H](O)C=C1C 2 compound(s) in CSDB (view)
1,6S-dihydroxy-2,6-dimethyl-octa-2E,7-dien SMILES C=C{6}[C@@](C)(O)CC/C=C(C)/{1}CO 1 compound(s) in CSDB (view)
3-hydroxy-5-hydroxymethyl-4-methoxymethyl-2-methylpyridine gingkotoxin SMILES CC1=NC=C(CO)C(COC)={3}C1O 3 compound(s) in CSDB (view)
hesperetin SMILES O=C(C1=C(O/2)C={7}C(O)C={5}C1O)CC2=C3C={54}C(C(OC)=CC/3)O 14 compound(s) in CSDB (view)
anagalligenin A SMILES C[C@]12CC{3}[C@H](O)C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC[C@@]45[C@@]3(C)C{16}[C@@H](O)[C@]6({28}[C@H](O)O5)[C@H]4CC(C)(C)C{22}[C@@H]6O 10 compound(s) in CSDB (view)
23-hydroxy-protoprimulagenin A anagalligenin B SMILES C[C@]12C([C@@](C)({3}[C@H](CC2)O){23}CO)CC[C@@]3([C@@]1(CC[C@@]45OC[C@]6([C@H]5CC(C)(CC6)C){16}[C@H](O)C[C@]43C)[H])C 6 compound(s) in CSDB (view)
anagalligenone SMILES C[C@]12CC{3}[C@@H]([C@@]({23}CO)([C@@H]1CC[C@@]3([C@@H]2CC[C@]45[C@]3(C{16}[C@H]([C@@]6([C@H]5CC(C)(CC6=O)C)[C@@H](O4)O)O)C)C)C)O 2 compound(s) in CSDB (view)
primulagenin A SMILES C[C@]12CC{3}[C@H](O)C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)C{16}[C@@H](O)[C@]5({28}CO)[C@H]4CC(C)(C)CC5 19 compound(s) in CSDB (view)
cucurbit-5-en-3β,22S,23R,24R,25-pentol SMILES CC1(C){3}[C@@H](O)CC[C@@]2([H])[C@]3(C)CC[C@]4(C)[C@@H]([C@H](C){22}[C@H](O){23}[C@@H](O){24}[C@@H](O){25}C(C)(O)C)CC[C@](C)4[C@@]([H])3CC=C12 2 compound(s) in CSDB (view)
cucurbit-5-en-3β,11α,24R,25-tetrol derivative mogrol SMILES C[C@@H](CC{24}[C@H](O){25}C(C)(C)O)[C@H]3CC[C@@]4(C)[C@@H]2C/C=C/1[C@@H](CC{3}[C@H](O)C1(C)C)[C@]2(C)[C@H](O)C[C@]34C 5 compound(s) in CSDB (view)
azukisapogenol SMILES O={29}C([C@@]1(C)CC2C3=CCC4[C@@]5(C)CC{3}[C@H](O)[C@](C)({24}CO)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1)O 3 compound(s) in CSDB (view)
gitogenin SMILES C[C@@H]1[C@]2(OC[C@H](C)CC2)O[C@@]3([H])C[C@@]4([H])[C@]5([H])CC[C@@]6([H])C{3}[C@@H](O){2}[C@H](O)C[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]31[H] 14 compound(s) in CSDB (view)
neogitogenin SMILES C[C@@H]1[C@]2(OC[C@@H](C)CC2)O[C@@]3([H])C[C@@]4([H])[C@]5([H])CC[C@@]6([H])C{3}[C@@H](O){2}[C@H](O)C[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]31[H] 5 compound(s) in CSDB (view)
hydroshengmanol SMILES C[C@@H]1C[C@H]({24}[C@H](O)C(C)(C)O)O{16}[C@@]2(O)[C@H]1[C@@]3(C)CC[C@@]45C[C@@]46CC{3}[C@H](O)C(C)(C)[C@@H]6CC[C@H]5[C@]3(C){15}[C@H]2O
kinoin A SMILES C[C@@]1(C2)[C@@H]({20}[C@](O)(C){21}[C@@H](O)/C=C/{24}C(O)(C)C){16}[C@H](O)C[C@@]1(C)[C@]3([H])CC=C4C(C)(C){3}[C@@H](O)CC[C@]4(C)[C@]3([H])C2=O 2 compound(s) in CSDB (view)
kinoin B SMILES C[C@@]1(C2)[C@@H]({20}[C@](O)(C){21}C(CC{24}C(O)(C)C)=O){16}[C@H](O)C[C@@]1(C)[C@]3([H])CC=C4C(C)(C){3}[C@@H](O)CC[C@]4(C)[C@]3([H])C2=O 1 compound(s) in CSDB (view)
longispinogenin SMILES C[C@]1(C2=CC[C@]3([C@@]1(C)CC[C@@]4([C@]3(C)CC{3}[C@@H](C4(C)C)O)[H])[H])C{16}[C@@H]([C@@]5([C@]2(CC(C)(CC5)C)[H]){28}CO)O 6 compound(s) in CSDB (view)
saikogenin A SMILES C[C@@]12C{16}[C@@H]([C@]3({28}CO)C(CC(C)(CC3)C)=C1C=C[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC{3}[C@@H]([C@@]5(C){23}CO)O)[H])[H])O 1 compound(s) in CSDB (view)
saikogenin B SMILES C[C@]1(C2=CC=C3[C@@]1(C)CC[C@@]4([C@]3(C)CC{3}[C@@H](C4(C)C)O)[H])C{16}[C@@H]([C@]5({28}CO)[C@@]2([H])CC(C)(CC5)C)O 5 compound(s) in CSDB (view)
saikogenin C SMILES C[C@@]12C{16}[C@@H]([C@]3({28}CO)C(CC(C)(CC3)C)=C1C=C[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC{3}[C@@H]([C@@]5(C)C)O)[H])[H])O 6 compound(s) in CSDB (view)
cynafogenin SMILES C[C@]12C{3}[C@@H](O)CC[C@]1(C)[C@]3(C)[C@@]({14}[C@](CC[C@@H]4C(C)=O)(O)[C@]4(C)[C@H](OC(C5=CC=CC=C5)=O)[C@H]3OC(C)=O)(C)CC2 6 compound(s) in CSDB (view)
adinaic acid SMILES O{3}[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C4[C@@]3(C=O)CC[C@]5({28}C(O)=O)C4[C@@H](C)[C@H](C)CC5)C1(C)C 3 compound(s) in CSDB (view)
hapepunine SMILES [H][C@]12[C@@](CC[C@]3(C)[C@@H]([C@@H]([C@H]4N(C)C[C@@H](C)CC4)C){16}[C@H](O)C[C@]32[H])([H])[C@@]5(C)CC{3}[C@@H](O)CC5=CC1 1 compound(s) in CSDB (view)
barrigenol R1 SMILES C[C@]12CC{3}[C@H](O)C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C){15}[C@@H](O){16}[C@@H](O)[C@]5({28}CO)[C@H]4CC(C)(C){21}[C@@H](O){22}[C@@H]5O 3 compound(s) in CSDB (view)
sandosapogenol SMILES C[C@]12CC{3}[C@H](O)[C@](C)({24}C=O)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)CC[C@]5(C)[C@H]4CC(C)(C)C{22}[C@H]5O 1 compound(s) in CSDB (view)
wistariasapogenol A SMILES C[C@@]12[C@](CC[C@]3(C)[C@]2([H])CC=C4[C@@]3(C)CC[C@]5(C)[C@@]4([H])C[C@@](C)({30}CO)CC5=O)([H])[C@@](C)({23}CO){3}[C@@H](O)CC1 3 compound(s) in CSDB (view)
abrisapogenol E = wistariasapogenol B SMILES C[C@@]12[C@](CC[C@]3(C)[C@]2([H])CC=C4[C@@]3(C)CC[C@]5(C)[C@@]4([H])C[C@@](C)({30}CO)C{22}[C@H]5O)([H])[C@@](C)({23}CO){3}[C@@H](O)CC1 12 compound(s) in CSDB (view)
abrisapogenol B SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@]({29}CO)(C)C{22}[C@@H](O)[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 10 compound(s) in CSDB (view)
theasapogenol E SMILES O=C[C@]1(C){3}[C@@H](O)CC[C@]2(C)C3CC=C4[C@@]5([H])CC(C)(C){21}[C@@H](O){22}[C@H](O)[C@]5({28}CO){16}[C@H](O)C[C@@]4(C)[C@]3(C)CCC12 16 compound(s) in CSDB (view)
calotropagenin SMILES C[C@]12CC[C@H]3[C@H]({14}[C@]1(CC[C@@H]2C4=CC(OC4)=O)O)CC[C@H]5C{3}[C@H]({2}[C@@H](C[C@]35C=O)O)O 2 compound(s) in CSDB (view)
16α-hydroxy-calotropagenin SMILES C[C@]12CC[C@H]3[C@H]({14}[C@]1(C{16}[C@@H](O)[C@@H]2C4=CC(OC4)=O)O)CC[C@H]5C{3}[C@H]({2}[C@@H](C[C@]35C=O)O)O 1 compound(s) in CSDB (view)
corotoxigenin SMILES C[C@]12CCC3C({14}[C@]1(CC[C@@H]2C4=CC(OC4)=O)O)CC[C@H]5C{3}[C@H](CC[C@]35C=O)O 2 compound(s) in CSDB (view)
coroglaucigenin SMILES C[C@]12CCC3C({14}[C@]1(CC[C@@H]2C4=CC(OC4)=O)O)CC[C@H]5C{3}[C@H](CC[C@]35{19}CO)O 5 compound(s) in CSDB (view)
12β-hydroxy-coroglaucigenin SMILES C[C@]12{12}[C@H](O)CC3C({14}[C@]1(CC[C@@H]2C4=CC(OC4)=O)O)CC[C@H]5C{3}[C@H](CC[C@]35{19}CO)O 1 compound(s) in CSDB (view)
samogenin SMILES C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]3[C@H](C[C@@H]4[C@]3(C)CC[C@@H]5[C@H]4CC[C@H]6[C@]5(C)C{2}[C@H](O){3}[C@H](O)C6)O2 1 compound(s) in CSDB (view)
phytolaccagenic acid SMILES C[C@]1({30}C(OC)=O)CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2C1)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)[C@]5({23}CO)C 10 compound(s) in CSDB (view)
phytolaccagenin SMILES C[C@@]1(CC[C@]2({30}C(O)=O)CC[C@]3(C([C@@H]2C1)=CC[C@@H]4[C@]5(C{2}[C@H]({3}[C@H]([C@]([C@@H]5CC[C@@]34C)({23}O)C)O)O)C)C){28}C(OC)=O 2 compound(s) in CSDB (view)
acteol SMILES C[C@@H]1C[C@]2(O[C@@H]3[C@H]1[C@@]4(C){12}[C@H](O)C[C@@]56C[C@@]57CC{3}[C@H](O)C(C)(C)[C@@H]7CC[C@H]6[C@]4(C)C3)[C@@H]8[C@@]({27}[C@@H](O)O2)(C)O8 2 compound(s) in CSDB (view)
hopan-24-ol-28,22-olide SMILES C[C@]1({24}CO)CCC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5(C(O6)=O)CC[C@H](C6(C)C)[C@@]([H])5CC[C@](C)4[C@@](C)3CCC12 1 compound(s) in CSDB (view)
hopan-17,24-diol-28,22-olide SMILES C[C@]1({24}CO)CCC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5(C(O6)=O)CC[C@H](C6(C)C){17}[C@]5(O)CC[C@](C)4[C@@](C)3CCC12 1 compound(s) in CSDB (view)
28,22R-carbonyloxy-hopan-17,24-diol-30-oic acid SMILES C[C@]1({24}CO)C(CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5(CC6=O)CC[C@H]([C@]6({28}C(O)=O)C){17}[C@]5(O)CC[C@](C)4[C@@](C)3CCC12)=O 1 compound(s) in CSDB (view)
34-carboxyl-bacteriohopane-32,33-diol SMILES CC(CCC{32}(O){33}C(O){34}C(O)=O)C1C2CC[C@@]3(C)[C@]4(C)CCC5C(C)(C)CCC[C@]5(C)C4CCC3[C@@]2(C)CC1 5 compound(s) in CSDB (view)
euphane-type triterpene SMILES C[C@@]12C3=CCC4C(C)({3}[C@@H](CC[C@@]4([C@]3({11}[C@@H](C[C@]1([C@@H](CC2)[C@]([H])(C)C{23}[C@@H](/C=C(C)\C)O)C)O)[H])C)O)C 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@]12C3=CCC4C(C)([C@@H](CC[C@@]4([C@]3([C@@H](C[C@]1([C@@H](CC2)[C@]([H])(C)C[C@@H](/C=C(C)\C)O)C)O)[H])C)O)C$
julibrogenin B SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@](C)({30}CO)[C@@H]6C[C@@](C(O6)=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 1 compound(s) in CSDB (view)
julibrogenin C SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@](C)({30}C(O)=O)[C@@H]6C[C@@](C(O6)=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 2 compound(s) in CSDB (view)
liquiritic acid SMILES O{3}[C@H](C(C)(C1CC[C@@]([C@@]2(CC[C@]3(CC[C@@]({30}C(O)=O)(C[C@@]3(C2=C4)[H])C)C)C)5C)C)CC[C@]1(C)[C@@]5([H])C4=O 5 compound(s) in CSDB (view)
isoliquiritigenin SMILES O=C(C(C=C{54}C(O)=C1)={52}C1O)/C=C/C2=CC={4}C(O)C=C2 10 compound(s) in CSDB (view)
deoxyglabrolide SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC=C4[C@@]5([H])C[C@](C(O6)=O)(C)C[C@@H]6[C@@](C)5CC[C@](C)4[C@@](C)3CCC2C1(C)C 1 compound(s) in CSDB (view)
hovenolactone SMILES C/C(C)=C\{23}[C@H](O)C[C@@]1(C)[C@H]([C@H]2CCC3[C@@]4(C)CC{3}[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]25CC(OC5)=O)O1 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\[C@H](O)C[C@@]1(C)[C@H]([C@H]2CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]25CC(OC5)=O)O1$
tenacigenin B SMILES O{3}[C@H]1CC[C@@]2(C)[C@](CC[C@]3(O4)[C@]2([H]){11}[C@H](O){12}[C@@H](O)[C@@]5(C)[C@]34CC[C@@]5([H])C(C)=O)([H])C1 5 compound(s) in CSDB (view)
adynerigenin SMILES C[C@]12CC{3}[C@H](O)C[C@H]1CC[C@]34[C@@H]2CC[C@@]5(C)[C@@]3(CC[C@@H]5C6=CC(OC6)=O)O4 4 compound(s) in CSDB (view)
Δ16-adynerigenin SMILES C[C@]12CC{3}[C@H](O)C[C@H]1CC[C@]34[C@@H]2CC[C@@]5(C)[C@@]3(CC=C5C6=CC(OC6)=O)O4 7 compound(s) in CSDB (view)
neriagenin SMILES O{3}[C@H]1CC[C@@]2(C)[C@H](CCC([C@@H]2CC[C@]3(C)[C@@H](C4=CC(OC4)=O)CC{14}[C@@H]3O)=O)C1 1 compound(s) in CSDB (view)
Δ16-neriagenin SMILES O{3}[C@H]1CC[C@@]2(C)[C@H](CCC([C@@H]2CC[C@]3(C)C(C4=CC(OC4)=O)=CC{14}[C@@H]3O)=O)C1 1 compound(s) in CSDB (view)
rishitin SMILES C[C@@H]1{3}[C@@H](O){2}[C@H](O)CC2=C1C[C@H](C(C)=C)CC2 1 compound(s) in CSDB (view)
3β-hydroxy-solanascone SMILES C[C@@H]1{3}[C@@H](O)C([C@H]2C[C@]3(C)[C@@]2(C)[C@]14CC[C@@H]3C4)=O 1 compound(s) in CSDB (view)
3β-hydroxy-solavetivone SMILES C[C@@H]1{3}[C@@H](O)C(C=C(C)[C@]12CC[C@@H](C(C)=C)C2)=O 1 compound(s) in CSDB (view)
pyridoxine SMILES CC1=NC=C(C({54}CO)={3}C1O){55}CO 7 compound(s) in CSDB (view)
theveside aglycon SMILES O={11}C(C1=CO{1}[C@@H](O)[C@@]2([H]){5}[C@]1(O)CC=C2{10}CO)O 10 compound(s) in CSDB (view)
lantanoside aglycon SMILES C=C([C@@H]1[C@H]({1}CO)[C@@H]({10}CO)CC1){11}CO 1 compound(s) in CSDB (view)
dihydropenstemide aglycon SMILES CC(C)CC(O[C@H]1[C@@]2([H])[C@@](CC[C@@H]2{10}CO)([H])C({11}CO)=CO1)=O 1 compound(s) in CSDB (view)
viburtinoside I aglycon SMILES CC(C)CC(O[C@H]1[C@@]2([H])[C@@](C{7}[C@H](O)[C@]2(O)C)([H])C({11}CO)=CO1)=O 1 compound(s) in CSDB (view)
viburtinoside II aglycon SMILES CC(C)CC(O[C@H]1[C@@]2([H])[C@@](C{7}[C@H](O){8}[C@]2(O){10}CO)([H])C({11}CO)=CO1)=O 5 compound(s) in CSDB (view)
mussaenosidate aglycon SMILES C{8}[C@@]1(O)CC[C@@H]2[C@H]1{1}[C@H](O)OC=C2{11}C(O)=O
methylazoxymethanol SMILES O{1}C/[N+]([O-])=N/C 2 compound(s) in CSDB (view)
cis-miyabenol C SMILES OC(C=C1)=CC=C1[C@@H](O2)[C@@H](C3=C{213}C(O)=CC4=C3[C@@H](C5=C{161}C(O)=CC(O)=C5)[C@H](C6=CC=C(O)C=C6)O4)C7=C2C={263}C(O)C=C7/C=C\C8=CC=C(O)C=C8 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC(C=C1)=CC=C1[C@@H](O2)[C@@H](C3=CC(O)=CC4=C3[C@@H](C5=CC(O)=CC(O)=C5)[C@H](C6=CC=C(O)C=C6)O4)C7=C2C=C(O)C=C7/C=C\C8=CC=C(O)C=C8$
4-hydroxy-benzyl-carbamate SMILES O={8}C(O)NCC1=CC={4}C(O)C=C1 5 compound(s) in CSDB (view)
2-hydroxy-methyl-propiononitrile SMILES C{2}C(O)(C#N)C 2 compound(s) in CSDB (view)
hyalodendroside A aglycon SMILES O=C1CC2C3(CC[C@]4([C@@]5(CC[C@@]6([H])C(C)({3}[C@H]([C@@H](C[C@@]6([C@]5(CCC4=C31)[H])CO)OC(C)=O)O)C)C)C)[C@@H](CC[C@H]2C)O 1 compound(s) in CSDB (view)
hyalodendroside B aglycon SMILES O=C1CC(C(C)C)C2(CC[C@]3([C@@]4(CC[C@@]5([H])C(C)({3}[C@H]([C@@H](C[C@@]5([C@]4(CCC3=C21)[H])CO)OC(C)=O)O)C)C)C)C 1 compound(s) in CSDB (view)
fuscoatroside aglycon SMILES C[C@]([C@@H](C)C(C)C)(CC[C@@]1(C)[C@]2(CCC3=C1CC[C@@]([H])(C(C)({3}[C@H]([C@@H](C4)C(OC)=O)O)C)[C@@]34C)C)[C@H]2C(O)=O 1 compound(s) in CSDB (view)
4',5'-dihydro-4'-hydroxyascochlorin SMILES C[C@@H]1CCC([C@H](C)[C@]1(C{54}[C@@H](O)/C(C)=C/CC2=C(O)C(C=O)=C(C)C(Cl)=C2O)C)=O 2 compound(s) in CSDB (view)
stromemycin aglycon SMILES OC1={2}CC(O)=CC(CC/C=C/C=C/CCC)=C1C(OC2=CC(CC/C=C/C=C/CCC)=C(C(O)=O)C(O)=C2)=O 1 compound(s) in CSDB (view)
2,5-dihydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one DDMP SMILES CC1={5}C(O)C(C{2}C(O)O1)=O 10 compound(s) in CSDB (view)
3-hydroxy-2-methyl-4H-pyran-4-one maltol = larixinic acid = vetol = palatone = talmon SMILES O=C1C=COC(C)={3}C1O 2 compound(s) in CSDB (view)
(2R,E)-4-(carboxymethyl)-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylic acid SMILES C/C=C\1{1}[C@H](O)O/C=C({8}C(=O)O)\C1C{7}C(=O)O 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C=C\1[C@H](O)O/C=C(C(=O)O)\C1CC(=O)O$
1H-indole-2,3-diol SMILES O{2}C1={3}C(O)C2=CC=CC=C2{1}N1 6 compound(s) in CSDB (view)
indole-3-carboxylic acid SMILES O={8}C(O)C1=CNC2=CC=CC=C21 3 compound(s) in CSDB (view)
(3R)-oct-1-en-3-ol SMILES C=C{3}[C@@H](CCCCC)O 3 compound(s) in CSDB (view)
naphthalene-1,4,5-triol SMILES O{1}c1cc{4}c(O)c2c1ccc{5}c2O 9 compound(s) in CSDB (view)
3-hydroxy-2-hydroxymethylanthraquinone SMILES O=C(C1=C2C={3}C(O)C({15}CO)=C1)C3=CC=CC=C3C2=O 1 compound(s) in CSDB (view)
1,3-dihydroxy-2-hydroxymethylanthraquinone lucidin SMILES O=C(C1=C{3}C(O)=C({15}CO){1}C(O)=C12)C3=CC=CC=C3C2=O 4 compound(s) in CSDB (view)
1,3-dihydroxy-2-methylanthraquinone rubiadin SMILES CC1={3}C(O)C=C2C(C(C3=CC=CC=C3C2=O)=O)={1}C1O 2 compound(s) in CSDB (view)
lisianthioside aglycon SMILES C=C[C@@H]1[C@@H]2CCOC(C3=CO{1}[C@@H](O)[C@H](C=C)[C@@H]3CCOC(C2=CO{51}[C@H]1O)=O)=O 3 compound(s) in CSDB (view)
pyrocincholic acid SMILES C[C@]12CC{3}[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CCC4=C3CC[C@@]5([C@H]4CC(CC5)(C)C){28}C(=O)O)C)(C)C)O 13 compound(s) in CSDB (view)
pergularin SMILES O=C(C){17}[C@]3(O)CC{14}[C@]4(O)C2C/C=C\1C{3}[C@@H](O)CC[C@]1(C)C2C{12}[C@@H](O)[C@]34C 19 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(C)[C@]3(O)CC[C@]4(O)C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2C[C@@H](O)[C@]34C$
terminolic acid SMILES C[C@@]12CC[C@@]3({28}C(O)=O)CCC(C)(C)C[C@H]3C1=CC[C@H]4[C@@]2(C)C{23}[C@@H](O)[C@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5(CO)C 2 compound(s) in CSDB (view)
24-hydroxyterminolic acid SMILES C[C@@]12CC[C@@]3({28}C(O)=O)CCC(C[C@H]3C1=CC[C@H]4[C@@]2(C)C{23}[C@@H](O)[C@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)C5({6}CO){24}CO)(C)C 1 compound(s) in CSDB (view)
mussaendoside A aglycon SMILES C/C(C(N[C@@H]1C(O[C@H](C)[C@@H]1C)=O)=O)=C\C=C\[C@@H](C)C2CC[C@@]3(C)C4CCC5C(C)({3}[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)C 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C(N[C@@H]1C(O[C@H](C)[C@@H]1C)=O)=O)=C\C=C\[C@@H](C)C2CC[C@@]3(C)C4CCC5C(C)([C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)C$
mussaendoside P aglycon SMILES C[C@H]1[C@@H](C)OC([C@H]1NC(/C(C)=C/C=C/[C@H]([C@H]2CC[C@]3(C)[C@]2(C)CC[C@]45[C@H]3CC[C@@H]6[C@@]4(C[C@@H](O){3}[C@H](O)C6(C)C)C5)C)=O)=O 1 compound(s) in CSDB (view)
mussaendoside Q aglycon SMILES C[C@H]1[C@@H](C)OC([C@H]1NC(/C(C)=C/C=C/[C@H]([C@H]2CC[C@](C(CC[C@@H]3[C@]4(C)CC{3}[C@H](O)C3(C)C)=C4C)(C)[C@H]2CO)C)=O)=O 1 compound(s) in CSDB (view)
phaseoside IV aglycon SMILES C[C@@]5(C)CC(=O)[C@]4(C)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@]5(C)CC(=O)[C@]4(C)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5$
chichipegenin SMILES C[C@]5(C)C{22}[C@H](O)[C@]4({28}CO){16}[C@@H](O)C[C@]3(C)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5 11 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]5(C)C[C@H](O)[C@]4(CO)[C@@H](O)C[C@]3(C)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(C)C1CC[C@]23C)C4C5$
ramamone SMILES CC(=O)[C@]3(C)CC{14}[C@]4(O)[C@]2(C)C/C=C\1C{3}[C@@H](O)CC[C@]1(C)C2C{12}[C@@H](O)[C@]34C 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(=O)[C@]3(C)CC[C@]4(O)[C@]2(C)C/C=C\1C[C@@H](O)CC[C@]1(C)C2C[C@@H](O)[C@]34C$
kudzusapogenol C SMILES C[C@@]5(C)CC4/C3=C/CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)({24}CO)C1CC[C@@]2(C)[C@]3(C)CC[C@@]4(C)C{21}[C@@H]5O 1 compound(s) in CSDB (view)
1,2,14,19-tetrahydroxyabietatriene SMILES CC(C1={2}C(O){1}C(O)=C2[C@@]3(C)CCC{14}[C@](C)(O)C3CCC2=C1){19}CO 2 compound(s) in CSDB (view)
reptoside aglycon SMILES CC1C{8}[C@](C)(O)C2{1}[C@H](O)O/C=C\{5}[C@@]12O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1C[C@](C)(O)C2[C@H](O)O/C=C\[C@@]12O$
2,3-dihydro-2-(4'-hydroxy-3'-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranpropanol SMILES O{9}CCCc3c{3}c(O)c2OC(c1cc{53}c(O){54}c(O)c1)C({12}CO)c2c3 1 compound(s) in CSDB (view)
2-((Z)-3-hydroxy-2,4-dimethoxybenzylidene)-3-((E)-4-hydroxy-3,5-dimethoxybenzylidene)succinic acid bis-sinapoic acid SMILES COC1={53}C(O)C(OC)=C(/C=C(/C({1}C(O)=O)=C\C2=CC(OC)={103}C(O)C(OC)=C2){4}C(O)=O)C=C1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC1=C(O)C(OC)=C(/C=C(/C(C(O)=O)=C\C2=CC(OC)=C(O)C(OC)=C2)C(O)=O)C=C1$
clitoriacetal SMILES COC1=C{1}C(O)=C2C(OC3C(O)OC4=CC(OC)=C(OC)C=C4C3(O)C2=O)=C1 1 compound(s) in CSDB (view)
dictamnoside A aglycon SMILES C{11}C(C)(O)[C@@H]3CC[C@]12OC[C@](C)(CC{1}[C@@H]1O)C2{6}[C@@H]3O 3 compound(s) in CSDB (view)
dictamnoside B aglycon SMILES C=C1CC{1}[C@H](O)[C@@]2({14}CO)CC[C@@H]({11}C(C)(C)O){6}[C@@H](O)C12 3 compound(s) in CSDB (view)
dictamnoside C aglycon SMILES C/C1=C/C{1}[C@H](O)[C@@]2({14}CO)CC[C@@H]({11}C(C)(C)O){6}[C@@H](O)C12 2 compound(s) in CSDB (view)
dictamnoside D aglycon SMILES CC{11}(C)(O)[C@@H]2CC[C@]1({14}CO){1}[C@@H](O)CC{4}[C@](C)(O)C1{6}[C@@H]2O 2 compound(s) in CSDB (view)
dictamnoside E aglycon SMILES C{9}[C@@]1(O)CC/C=C\C2C1{1}[C@@H](O)C{3}[C@]2(C)O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@]1(O)CC/C=C\C2C1[C@@H](O)C[C@]2(C)O$
(3R)-vestitol = (3R)-vestitone SMILES COC1=C{52}C(O)=C(C2COC3=C(C=C{7}C(O)=C3)C2=O)C=C1 1 compound(s) in CSDB (view)
8-hydroxy-10-hydrosweroside aglycon SMILES C{9}[C@@H](O)[C@@H]1[C@@H]2CCOC(C2=CO{3}[C@H]1O)=O 1 compound(s) in CSDB (view)
cynajapogenin A SMILES CC1=C([C@H]2CC[C@H]3[C@@H](CC=C4[C@]3(C)C{2}[C@@H](O){3}[C@H](O)C4)C2=O)C=CO1 3 compound(s) in CSDB (view)
23,11(13)-guaiatreiene-12,6-olide-2-one SMILES C=C1C(O[C@H]2[C@H]1CCC(C)=C3C({3}C(O)=C([C@@]32C)C)=O)=O 1 compound(s) in CSDB (view)
8β,15-dihydroxy-1(10),3,11(13)-guaiatriene-12,6-olide SMILES CC1=C(CC=C2{15}CO)[C@H]2[C@@H](OC(C3=C)=O)[C@H]{8}3[C@H](O)C1 1 compound(s) in CSDB (view)
l(10),3,11(13)-guaiatriene-12,6-olide-2-one SMILES CC1={3}C(O)C(C2=C(C)CC[C@@H]3[C@H](OC(C3=C)=O)[C@H]21)=O 1 compound(s) in CSDB (view)
asperuloside aglycon SMILES CC(OCC1=C[C@H]2[C@H]3[C@@H]1{1}[C@H](O)OC=C3C(O2)=O)=O 4 compound(s) in CSDB (view)
epiaucubin aglycon SMILES O{10}C/C1=C/{6}[C@H](O)C2/C=C\O{1}[C@@H](O)C12 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC/C1=C/[C@H](O)C2/C=C\O[C@@H](O)C12$
teucardoside aglycon SMILES C/C1=C/C(=O){5}[C@]2(O)/C=C\O{1}[C@@H](O)C12 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C1=C/C(=O)[C@]2(O)/C=C\O[C@@H](O)C12$
9-(1,3-benzodioxol-5-yl)-4,6,7-trihydroxy-3H-benzo[f][2]benzofuran-1-one SMILES O=C1C2=C(C3=CC4=C(OCO4)C=C3)C5=C{7}C(O)={6}C(O)C=C5{4}C(O)=C2CO1 1 compound(s) in CSDB (view)
(S)-1-hydroxycyclopent-2-ene-1-carbonitrile tetraphyllin A aglycon SMILES N#C{1}[C@@]1(O)/C=C\CC1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES N#C[C@@]1(O)/C=C\CC1$
(1S,4S)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile tetraphyllin B aglycon SMILES N#C{1}[C@@]1(O)/C=C\{4}[C@@H](O)C1 5 compound(s) in CSDB (view)	$Subst // Subst = SMILES N#C[C@@]1(O)/C=C\[C@@H](O)C1$
(R)-1-hydroxycyclopent-2-ene-1-carbonitrile deidaclin aglycon SMILES N#C{1}[C@]1(O)/C=C\CC1 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES N#C[C@]1(O)/C=C\CC1$
(1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile volkenin aglycon SMILES N#C{1}[C@]1(O)/C=C\{4}[C@H](O)C1 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES N#C[C@]1(O)/C=C\[C@H](O)C1$
α-homonojirimycin SMILES O{7}C[C@H]1N[C@H]({1}CO){2}[C@@H](O){3}[C@H](O){4}[C@H]1O 3 compound(s) in CSDB (view)
sambacoside core structure SMILES C[C@H]1{5}[C@H](O)C[C@@H](C({9}CO){10}CO)[C@@H]1{7}CO 3 compound(s) in CSDB (view)
β-deutziogenin SMILES C/C2=C/O{1}[C@@H](O)C3[C@H]1O[C@H]1{6}[C@@H](O)C23 1 compound(s) in CSDB (view)
wedeloside core structure SMILES C=C3{15}[C@H](O)[C@@]24CCC1[C@@](C)(C{2}[C@H](O)C[C@@]1({19}C(=O)O){18}C(=O)O)C2CC{13}[C@]3(O)C4 3 compound(s) in CSDB (view)
shanzhiside aglycon SMILES C{8}[C@]2(O)C{6}[C@@H](O)C1/C{11}(C(=O)O)=C\O{1}[C@@H](O)C12 6 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]2(O)C[C@@H](O)C1/C(C(=O)O)=C\O[C@@H](O)C12$
1,2,12-trihydroxycalamenene SMILES CC1={2}C(O){1}C(O)=C(C(CCC2C({12}CO)C)C)C2=C1 2 compound(s) in CSDB (view)
erythro-buddlenol B SMILES COC1=CC({51}[C@@H]([C@@H](OC2=C(C=C(C=C2OC)[C@H]3OC4=C(C=C(C=C4[C@@H]3{11}CO)/C=C/{10}CO)OC)OC){53}CO)O)=CC={104}C1O
threo-buddlenol B SMILES COC1=CC({51}[C@@H]([C@H](OC2=C(C=C(C=C2OC)[C@H]3OC4=C(C=C(C=C4[C@@H]3{11}CO)/C=C/{10}CO)OC)OC){53}CO)O)=CC=C1O
erythro-7",8"-dihydrobuddlenol B SMILES COC1=CC({51}[C@@H]([C@@H](OC2=C(OC)C=C([C@H]3OC4=C(C=C(C=C4[C@@H]3{11}CO)CC{10}CO)OC)C=C2OC){53}CO)O)=CC={104}C1O
threo-7",8"-dihydrobuddlenol B SMILES COC1=CC({51}[C@@H]([C@H](OC2=C(C=C(C=C2OC)[C@H]3OC4=C(C=C(C=C4[C@@H]3{11}CO)CC{10}CO)OC)OC){53}CO)O)=CC={104}C1O
10-hydroxy-oleuropein aglycon core SMILES COC(=O)/C1=C/O{1}[C@@H](O)/C(=C/{10}CO)C1C{7}C(=O)O 7 compound(s) in CSDB (view)
torilolone SMILES C/C2=C/1C[C@H]({11}C(C)(C)O)[C@H](C)C[C@H](C)C1CC2=O 1 compound(s) in CSDB (view)
(1R,7R,10S)-11-hydroxyguai-4-ene-3,8-dione SMILES C[C@H]1CC(=O)[C@@H]({11}C(C)(C)O)CC2C(C)C(=O)CC12 1 compound(s) in CSDB (view)
(1S,7R,8S,10S)-8-hydroxyguai-4-en-3-one SMILES C/C2=C/1C[C@H]({11}C(C)(C)O){8}[C@@H](O)C[C@H](C)C1CC2=O 1 compound(s) in CSDB (view)
(1R,4R,5R,7R,10S)-10,11,15-trihydroxyguaiane SMILES C{11}C(C)(O)[C@@H]2CC{10}[C@](C)(O)C1CC[C@@H]({15}CO)C1C2
8-epi-torilolone SMILES C/C2=C/1CC({11}C(C)(C)O){8}[C@@H](O)C[C@H](C)C1CC2=O 2 compound(s) in CSDB (view)
2α,7,8β-trihydroxykessane SMILES C[C@@H]1C{2}[C@H](O)C2C1C{7}[C@@]3(O){8}[C@H](O)C[C@@]2(C)OC3(C)C 1 compound(s) in CSDB (view)
2α,7,12-trihydroxykessane SMILES C[C@@H]1C{2}[C@H](O)C2C1C{7}[C@@]3(O)CC[C@@]2(C)OC3(C){12}CO 1 compound(s) in CSDB (view)
2α,7-dihydroxykessane SMILES C[C@@H]1C{2}[C@H](O)C2C1C{7}[C@@]3(O)CC[C@@]2(C)OC3(C)C 1 compound(s) in CSDB (view)
salicortin aglycon SMILES O=C1CC/C=C\C1(O)C(=O)OCc2cccc{1}c2O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C1CC/C=C\C1(O)C(=O)OCc2ccccc2O$
toralactone SMILES COc3c{9}c(O)c2{10}c(O)c1c(=O)oc(C)cc1cc2c3 3 compound(s) in CSDB (view)
rubrofusarin SMILES COc3c{9}c(O)c2{10}c(O)c1c(=O)cc(C)oc1cc2c3 3 compound(s) in CSDB (view)
hastatoside aglycon SMILES COC(=O)/C1=C/O{1}[C@@H](O)C2[C@@H](C)CC(=O){5}[C@]12O 3 compound(s) in CSDB (view)
8-epihastatoside aglycon SMILES COC(=O)/C1=C/O{1}[C@@H](O)C2[C@H](C)CC(=O){5}[C@]12O 2 compound(s) in CSDB (view)
β-hydroxyhastatoside aglycon SMILES COC(=O)/C1=C/O{1}[C@@H](O)C2[C@@H](C)CC(O){5}[C@]12O 1 compound(s) in CSDB (view)
penstemoside aglycon SMILES COC(=O)/C1=C/O{1}[C@@H](O)C2[C@H](C)C{5}C(O){6}[C@]12O 3 compound(s) in CSDB (view)
cornin aglycon SMILES COC(=O)/C1=C/O{1}[C@@H](O)C2[C@@H](C)CC(=O)C12 1 compound(s) in CSDB (view)
(5αh)-6α-8-epidihydrocornin aglycon SMILES COC(=O)/C1=C/O{1}[C@@H](O)C2[C@H](C)C{6}[C@H](O)C12 1 compound(s) in CSDB (view)
(5αh)-6α-8-hydroxy-8-epiloganin aglycon SMILES COC(=O)/C1=C/O{1}[C@@H](O)C2[C@H](C){7}[C@@H](O){6}[C@H](O)C12 1 compound(s) in CSDB (view)
(5αh)-6-epidihydrocornin aglycon SMILES CC[C@H]1C{6}[C@H](O)C2/C(C(=O)OC)=C\O{1}[C@@H](O)C12	$Subst // Subst = SMILES CC[C@H]1C[C@H](O)C2/C(C(=O)OC)=C\O[C@@H](O)C12$
10-hydroxyhastatoside aglycon SMILES COC(=O)/C1=C/O{1}[C@@H](O)C2[C@@H]({10}CO)CC(=O){5}[C@]12O 1 compound(s) in CSDB (view)
10-hydroxy-(5αh)-6-epidihydrocornin aglycon SMILES COC(=O)/C1=C/O{1}[C@@H](O)C2[C@@H]({10}CO)C{6}[C@H](O)C12 2 compound(s) in CSDB (view)
2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol SMILES C=C{14}[C@@](C)(O)CC/C=C(C)/CC/C=C(C)/CC{3}C(O){2}C(C)(C)O 2 compound(s) in CSDB (view)
strictosidinic acid aglycon SMILES C=C[C@@H]1[C@H](C[C@H]2C3=C(C4=CC=CC=C4N3)CCN2)C({23}C(O)=O)=CO{19}[C@H]1O 4 compound(s) in CSDB (view)
lyalosidic acid aglycon SMILES C=C[C@@H]1[C@H](CC2=NC=CC3=C2NC4=CC=CC=C34)C({23}C(O)=O)=CO{19}[C@H]1O 1 compound(s) in CSDB (view)
5α-carboxystrictosidine aglycon SMILES COC(C1=CO{19}[C@@H](O)C(C=C)C1C[C@H]2C3=C(C4=CC=CC=C4N3)CC({24}C(O)=O)N2)=O 1 compound(s) in CSDB (view)
sickingine aglycon SMILES C=C[C@@H]1[C@@H]2C[C@H]3C4=C(C5=CC=CC=C5N4)C[C@@H]({24}C(O)=O)N3CC2=CO{19}[C@H]1O 1 compound(s) in CSDB (view)
2-(3S-5-carboxy-3,7,8-trihydroxy-2-oxochroman-4-yl)malonic acid SMILES O={9}C(C(C={7}C({8}C(O)=C1O2)O)=C1C(C({11}C(O)=O){12}C(O)=O){3}[C@H](O)C2=O)O 2 compound(s) in CSDB (view)
(1S,2R,3S,4R)-cyclohex-5-ene-1,2,3,4-tetrol conduritol A SMILES O{1}[C@H]1/C=C\{4}[C@@H](O){3}[C@H](O){2}[C@@H]1O 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES O[C@H]1/C=C\[C@@H](O)[C@H](O)[C@@H]1O$
(1R,2R,4S,5S)-cyclohexane-1,2,3,4,5-pentol kijolanitol SMILES O{1}[C@H]1{5}[C@@H](O){4}[C@@H](O){3}[C@H](O){2}[C@H]1O 2 compound(s) in CSDB (view)
(1S,2S,3S,4R)-cyclohex-5-ene-1,2,3,4-tetrol conduritol F SMILES O{1}[C@H]1/C=C\{4}[C@@H](O){3}[C@H](O){2}[C@H]1O 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES O[C@H]1/C=C\[C@@H](O)[C@H](O)[C@H]1O$
(1S,2R,3S,4R)-cyclohexane-1,2,3,4-tetrol dihydro-conduritol A SMILES O{1}[C@H]1CC{4}[C@@H](O){3}[C@H](O){2}[C@@H]1O 1 compound(s) in CSDB (view)
oligoporin A aglycon SMILES C/C(=C/CC[C@@H](C)[C@H]3CC[C@@]4(C)/C/2=C/C[C@H]1C(C)(C)C(=O)CC[C@]1(C)C2=C\{12}[C@@H](O)[C@]34C){23}C(=O)O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C/CC[C@@H](C)[C@H]3CC[C@@]4(C)/C/2=C/C[C@H]1C(C)(C)C(=O)CC[C@]1(C)C2=C\[C@@H](O)[C@]34C)C(=O)O$
oligoporin B aglycon SMILES C/C(=C/CC[C@@H](C)[C@H]3CC[C@@]4(C)/C/2=C/C[C@H]1C(C)(C){3}[C@@H](O)CC[C@]1(C)C2=C\{12}[C@@H](O)[C@]34C){23}C(=O)O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C/CC[C@@H](C)[C@H]3CC[C@@]4(C)/C/2=C/C[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)C2=C\[C@@H](O)[C@]34C)C(=O)O$
oligoporin C aglycon SMILES C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)/C4=C(C{12}[C@@H](O)[C@]12C)/[C@@]3(C)CC{3}[C@H](O)C(C)(C)[C@@H]3CC4=O){23}C(=O)O 2 compound(s) in CSDB (view)
hebevinoside aglycon SMILES O{3}[C@H]1C[C@@]2(C)[C@]3([H])CC=C4C(C)(C){16}[C@@H](O)CC[C@@]4([H])[C@]3(C)CC[C@]2(C)[C@H]1[C@@H](CC/C=C({23}C(O)=O)\C)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O[C@H]1C[C@@]2(C)[C@]3([H])CC=C4C(C)(C)[C@@H](O)CC[C@@]4([H])[C@]3(C)CC[C@]2(C)[C@H]1[C@@H](CC/C=C(C(O)=O)\C)C$
malsteroside A, B aglycon SMILES C/C([C@H]1CCC2C3=C(C(C)=C4C{8}C(CCC4=C3)O)CC[C@]12C)=C\{23}C(O)C(C)C(C)C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C([C@H]1CCC2C3=C(C(C)=C4CC(CCC4=C3)O)CC[C@]12C)=C\C(O)C(C)C(C)C$
malsteroside C aglycon SMILES C/C([C@H]1CCC2C3=C(C(C)=C4C{8}C(CCC4=C3)O){5}[C@H](O)C[C@]12C)=C\{23}C(O)C(C)C(C)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C([C@H]1CCC2C3=C(C(C)=C4CC(CCC4=C3)O)[C@H](O)C[C@]12C)=C\C(O)C(C)C(C)C$
(E,E)-farnesol SMILES C/C(C)=C\CC/C(C)=C/CC/C(C)=C/{1}CO 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC/C(C)=C/CC/C(C)=C/CO$
cosmosporaside B aglycon SMILES C/C(C)=C\CCC(C)C(=O)C{4}C(O)/C(C)=C/{1}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CCC(C)C(=O)CC(O)/C(C)=C/CO$
cosmosporaside C, D, E aglycon SMILES C/C(C)=C\CCC(C)(O){6}C(O)C{4}C(O)/C(C)=C/{1}CO 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CCC(C)(O)C(O)CC(O)/C(C)=C/CO$
sporulositol A aglycon SMILES C/C2=C({11}CO)/[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 1 compound(s) in CSDB (view)
sporulositol B aglycon SMILES C/C2=C({11}CO)/[C@@]1(C)CCCC(C)(C)[C@@H]1{1}[C@@H](O)C2 1 compound(s) in CSDB (view)
sporulositol C aglycon SMILES C/C2=C({11}CO)/[C@@]1(C)CCC[C@](C)({12}CO)[C@@H]1CC2 1 compound(s) in CSDB (view)
sporulositol D aglycon SMILES C/C2=C({11}CO)/[C@@]1(C)CCC[C@](C)({12}CO)[C@@H]1C{2}[C@H]2O 1 compound(s) in CSDB (view)
sporuloside aglycon SMILES CC1=C(C)C(C)=C(CCC[C@@]2({13}CO)C)C2=C1 2 compound(s) in CSDB (view)
malfilamentoside A aglycon SMILES O=C1O{5}C(C(CC2=CC=CC=C2)=C1C3=CC=CC=C3)O 3 compound(s) in CSDB (view)
malfilamentoside B aglycon SMILES O=C1O{5}C(C({6}C(C2=CC=CC=C2)O)=C1C3=CC=CC=C3)O 1 compound(s) in CSDB (view)
phialotide A, B, C, D aglycon SMILES O{17}C(C(CC)C)C(C)/C=C(C)/{13}[C@@H](O)[C@@H](C)/C=C(C)/{9}[C@@H](O)[C@@H](C)/C=C(C)/{5}[C@@H](O)[C@@H](C)/C=C(C)/{1}C(O)=O 8 compound(s) in CSDB (view)
phialotide E aglycon SMILES O{19}C(C(CC)C)C(C)/C=C(C)/{15}[C@@H](O)[C@@H](C)/C=C(C)/{11}[C@@H](O)[C@@H](C)/C=C(C)/{7}[C@@H](O)[C@@H](C)/C=C(C)/{3}C(O)C({1}C(O)=O)C 2 compound(s) in CSDB (view)
phialotide F, G, H aglycon SMILES O{17}C(/C(C)=C/C({21}C(O)C(CC)C)C)C(C)/C=C(C)/{13}[C@@H](O)[C@@H](C)/C=C(C)/{9}[C@@H](O)[C@@H](C)/C=C(C)/{5}[C@@H](O)[C@@H](C)/C=C(C)/{1}C(O)=O 6 compound(s) in CSDB (view)
indigotide A aglycon SMILES C/C=C/C=C/C1=CC2=C(CO1){8}C(O)={7}C(O){6}C(O)=C2 2 compound(s) in CSDB (view)
13-hydroxyindigotide A aglycon SMILES O{6}C1=CC(C=C2/C=C/C=C/{13}CO)=C(CO2){8}C(O)={7}C1O 1 compound(s) in CSDB (view)
indigotide B aglycon SMILES C[C@@H]1OC2=CC3=C({5}C(O)=C2C([C@H]1C)=O){6}C(O)=C{8}C(O)=C3 4 compound(s) in CSDB (view)
indigotide C aglycon SMILES C/C=C/C=C/C(CC1=C2C[C@@H]3C4=C{6}C(O)={7}C(O){8}C(O)=C4CO[C@@](/C=C/C=C/C)3OC2={57}C(O){56}C(O)=C1)=O 1 compound(s) in CSDB (view)
indigotide D aglycon SMILES C/C=C/C=C/C(CC1=C2C[C@H]3C4=C{6}C(O)={7}C(O){8}C(O)=C4CO[C@](/C=C/C=C/C)3OC2={57}C(O){56}C(O)=C1)=O 1 compound(s) in CSDB (view)
indigotide E aglycon SMILES C/C=C/C=C/C(CC1=C(CC2=C3O[C@H]([C@@H](C(C3={5}C(C4=C2C={8}C(O)C={6}C4O)O)=O)C)C){58}C(O)={57}C(O){56}C(O)=C1)=O 1 compound(s) in CSDB (view)
indigotide G, H aglycon SMILES C[C@H]1OC2=CC3=C({5}C(O)=C2C([C@@H]1C)=O){6}C(O)=C{8}C(O)=C3 4 compound(s) in CSDB (view)
fumihopaside A aglycon SMILES C{22}[C@@](O)({30}C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]5(C)[C@@H]2CC[C@@H]4[C@@]3(C)CC{3}[C@H](O)[C@](C)({24}CO)[C@@H]3CC[C@]45C 1 compound(s) in CSDB (view)
fumihopaside B aglycon SMILES C=C({30}C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]5(C)[C@@H]2CC[C@@H]4[C@@]3(C)CC{3}[C@H](O)[C@](C)({24}CO)[C@@H]3CC[C@]45C 1 compound(s) in CSDB (view)
sordarin C aglycon SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3({17}CO)[C@H]4C[C@@](C=O)2[C@]({13}[C@](O)=O)3C(C({19}CO)C)=C4 2 compound(s) in CSDB (view)
sordarin D aglycon SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3({17}CO)[C@H]4C[C@@](C=O)2[C@]({13}[C@](O)=O)3/C(C4=O)=C(C)\C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3(CO)[C@H]4C[C@@](C=O)2[C@]([C@](O)=O)3/C(C4=O)=C(C)\C$
sordarin E aglycon SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3({17}CO)[C@H]4C[C@@](C=O)2[C@]({13}[C@](O)=O)3C5(C(C)C5)C4=O 2 compound(s) in CSDB (view)
sordarin F aglycon SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3({17}CO)[C@H]4C[C@@](C=O)2[C@]({13}[C@](O)=O)3/C(C4=O)=C\CC 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3(CO)[C@H]4C[C@@](C=O)2[C@]([C@](O)=O)3/C(C4=O)=C\CC$
sordaricin SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@]3({17}CO)[C@@H]4C[C@@]2(C=O)[C@@]3({13}C(O)=O)C(C(C)C)=C4 47 compound(s) in CSDB (view)
trichosordarin A aglycon SMILES O={13}C([C@]12[C@]3({17}CO)C[C@]4([H])[C@H](C)CC[C@@]4([H])[C@@]1([H])C[C@]3([H]){11}[C@@H](O)[C@@]52[C@@H](C)C5)O 1 compound(s) in CSDB (view)
colletotrichamide A aglycon SMILES CC[C@@H](C1C(O[C@@H](C{21}[C@H]([C@H](C(N[C@@H](C(N1C)=O)CC2=CC=CC=C2)=O)C)O)[C@H](CCCC{29}[C@H](O)C)C)=O)C 2 compound(s) in CSDB (view)
colletotrichamide B aglycon SMILES CCC(C1C(OC(C{21}C(C(C(NC(C(N1C)=O)CC2=CC=CC=C2)=O)C)O)C(C/C=C/C{29}[C@H](O)C)C)=O)C 2 compound(s) in CSDB (view)
colletotrichamide C aglycon SMILES CCC(C1C(OC(C{21}C(CC(NC(C(N1C)=O)CC2=CC=CC=C2)=O)O)C(CCCC{29}[C@H](O)C)C)=O)C 2 compound(s) in CSDB (view)
colletotrichamide D aglycon SMILES CC(C[C@H]1C(O[C@@H](C{21}[C@H](C(C(N[C@@H](C(N1C)=O)CC2=CC=CC=C2)=O)C)O)C(CCCC{29}[C@H](O)C)C)=O)C 2 compound(s) in CSDB (view)
colletotrichamide E aglycon SMILES C{29}[C@@H](O)CCCCC(C)[C@@H]1C{21}C(O)C(C)C(NC(CC2=CC=CC=C2)C(N(C)[C@@H](C(C)C)C(O1)=O)=O)=O 2 compound(s) in CSDB (view)
fumigatoside B aglycon SMILES C[C@@H]1N{19}[C@H]2N(C3=C({17}[C@]2(C[C@H]4C(N{2}[C@](O)(C5=NC6=C(C(N54)=O)C=CC=C6)C)=O)O)C=CC=C3)C1=O 1 compound(s) in CSDB (view)
fumigatoside C aglycon SMILES C[C@@H]1N{19}[C@H]2N(C3=C({17}[C@]2(C[C@H]4C(N{2}[C@@H](C5=NC6=C(C(N54)=O)C=CC=C6)C)=O)O)C=CC=C3)C1=O 1 compound(s) in CSDB (view)
fumigatoside D aglycon SMILES C[C@@H]1N{19}[C@H]2N(C3=C({17}[C@]2(C[C@H]4C(N{2}[C@H](C5=NC6=C(C(N54)=O)C=CC=C6)C)=O)O)C=CC=C3)C1=O 1 compound(s) in CSDB (view)
stachyboside A aglycon SMILES C[C@@H]1CC[C@@H]2[C@@](CC{3}[C@@H](O)C2(C)C)(C)[C@@]13CC4={52}C(O)C=C({57}CO)C(C=O)=C4O3 1 compound(s) in CSDB (view)
stachyboside B aglycon SMILES C[C@@H]1CC[C@@H]2[C@@](C{2}[C@@H](O){3}[C@@H](O)C2(C)C)(C)[C@@]13CC4={52}C(O)C=C({57}CO)C(C=O)=C4O3 1 compound(s) in CSDB (view)
pestalotioquinoside A aglycon SMILES C/C(C)=C\CC/C(C)=C/CCC(C#CC1=C{4}C(O)=CC={1}C1O)=C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC/C(C)=C/CCC(C#CC1=CC(O)=CC=C1O)=C$
pestalotioquinoside B aglycon SMILES C/C({61}C(O)=O)=C\CC/C(C)=C/CCC(C#CC1=C{4}C(O)=CC={1}C1O)=C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C(O)=O)=C\CC/C(C)=C/CCC(C#CC1=CC(O)=CC=C1O)=C$
pestalotioquinoside C aglycon SMILES C/C(C)=C/CCC(C#CC1=C{4}C(O)=CC={1}C1O)=C 1 compound(s) in CSDB (view)
deoxyfusapyrone aglycon SMILES CCCCCCC(C/C(C)=C\C(/C=C(/C=C/{8}C(O)C(C)(C1=CC({3}C={2}C(O)O1)=O)C)C)C)C 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCC(C/C(C)=C\C(/C=C(/C=C/C(O)C(C)(C1=CC(C=C(O)O1)=O)C)C)C)C$
deoxyneofusapyrone aglycon SMILES CCCCCCC(C/C(C)=C\C(/C=C(/C=C/{8}C(O)C(C)(C1=C{4}C(O)={3}CC(O1)=O)C)C)C)C 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCC(C/C(C)=C\C(/C=C(/C=C/C(O)C(C)(C1=CC(O)=CC(O1)=O)C)C)C)C$
7-desmethyldeoxyneofusapyrone aglycon SMILES CCCCCCC(C/C(C)=C\C(/C=C(/C=C/{8}C(O)C(C1=C{4}C(O)={3}CC(O1)=O)C)C)C)C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCC(C/C(C)=C\C(/C=C(/C=C/C(O)C(C1=CC(O)=CC(O1)=O)C)C)C)C$
fusapyrone aglycon SMILES CCCCCCC(C/C(C)=C\C(/C=C(/C=C/{8}C(O)C(C)(C1=CC({3}C={2}C(O)O1)=O)C)C){27}CO)C 6 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCC(C/C(C)=C\C(/C=C(/C=C/C(O)C(C)(C1=CC(C=C(O)O1)=O)C)C)CO)C$
neofusapyrone aglycon SMILES CCCCCCC(C/C(C)=C\C(/C=C(/C=C/{8}C(O)C(C)(C1=C{4}C(O)={3}CC(O1)=O)C)C){27}CO)C 9 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCC(C/C(C)=C\C(/C=C(/C=C/C(O)C(C)(C1=CC(O)=CC(O1)=O)C)C)CO)C$
8,9,10,11-tetrahydroneofusapyrone aglycon SMILES CCCCCCC(C)C/C(C)=C\C({27}CO)CC(C)CC{8}C(C(C1=C{4}C(O)={3}CC(O1)=O)(C)C)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCC(C)C/C(C)=C\C(CO)CC(C)CCC(C(C1=CC(O)=CC(O1)=O)(C)C)O$
8,9,10,11,13,14-hexahydroneofusapyrone aglycon SMILES CCCCCCC(C)CC(C)CC({27}CO)CC(C)CC{8}C(C(C1=C{4}C(O)={3}CC(O1)=O)(C)C)O 1 compound(s) in CSDB (view)
(E)-5-(N,5-dihydroxy-3-methylpent-2-enamido)-2-(dimethylamino)pentanoic acid SMILES C/C(=C\C(=O)N(O)CCCC({1}C(=O)O)N(C)C)C{11}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\C(=O)N(O)CCCC(C(=O)O)N(C)C)CCO$
4,15'-dihydroxyfarnesyltoluquinol SMILES C/C(CC/C=C(C)/CC/C=C(C)\{65}CO)=C\CC1=C{1}C(O)=C(C)C={4}C1O 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(CC/C=C(C)/CC/C=C(C)\CO)=C\CC1=CC(O)=C(C)C=C1O$
4-hydroxy-15′-carboxylfarnesyltoluquinol SMILES C/C(CC/C=C(C)/CC/C=C(C)\{65}C(O)=O)=C\CC1=C{1}C(O)=C(C)C={4}C1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(CC/C=C(C)/CC/C=C(C)\C(O)=O)=C\CC1=CC(O)=C(C)C=C1O$
trichaspside C aglycon SMILES C/C2=C/[C@H]1O[C@@H](C{11}C(C)O)C[C@H](C)[C@H]1CC2 1 compound(s) in CSDB (view)
trichaspside D aglycon SMILES C/C2=C/[C@H]1O[C@H](C{11}C(C)O)C[C@H](C)[C@H]1CC2 1 compound(s) in CSDB (view)
ascosteroside C aglycon SMILES C=C(CC[C@@H](C)[C@H]1C{15}[C@@H](O)[C@@]2({30}C(=O)O)/C4=C(CC[C@]12C)/[C@@]3(C)CC{3}[C@H](O)C(=C)[C@@H]3CC4)C(C)C 9 compound(s) in CSDB (view)
ascosteroside B aglycon SMILES C=C1{3}[C@@H](O)CC[C@]2(C)/C4=C(CC[C@@H]12)/[C@]3({30}C(=O)O){15}[C@H](O)C[C@H]([C@H](C)CC/C=C(C)\C)[C@@]3(C)CC4 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C1[C@@H](O)CC[C@]2(C)/C4=C(CC[C@@H]12)/[C@]3(C(=O)O)[C@H](O)C[C@H]([C@H](C)CC/C=C(C)\C)[C@@]3(C)CC4$
1-(7-hydroxy-9H-pyrido[3,4-b]indol-1-yl)ethan-1-one SMILES CC(C1=NC=CC2=C1NC3=C2C=C{7}C(O)=C3)=O 2 compound(s) in CSDB (view)
1-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)ethan-1-one SMILES CC(C1=NC=CC2=C1NC3=C2C={6}C(C=C3)O)=O 2 compound(s) in CSDB (view)
bisphenol A SMILES CC(C1=CC={1}C(C=C1)O)(C2=CC={51}C(O)C=C2)C 1 compound(s) in CSDB (view)
tetrabromobisphenol A SMILES CC(C1=CC(Br)={1}C(C(Br)=C1)O)(C2=CC(Br)={51}C(C(Br)=C2)O)C 1 compound(s) in CSDB (view)
tribromobisphenol A SMILES CC(C1=CC={1}C(C(Br)=C1)O)(C2=CC(Br)={51}C(C(Br)=C2)O)C 1 compound(s) in CSDB (view)
tetrachlorobisphenol A SMILES CC(C1=CC(Cl)={1}C(C(Cl)=C1)O)(C2=CC(Cl)={51}C(C(Cl)=C2)O)C 1 compound(s) in CSDB (view)
dibromobisphenol A SMILES CC(C1=CC={1}C(C(Br)=C1)O)(C2=CC={51}C(C(Br)=C2)O)C 1 compound(s) in CSDB (view)
diiodobisphenol A SMILES CC(C1=CC={1}C(C(I)=C1)O)(C2=CC={51}C(C(I)=C2)O)C 1 compound(s) in CSDB (view)
virescenoside Z10 aglycon SMILES C=C[C@@]1(C)CC/C2=C(C1)/C(=O)C[C@@H]3[C@]2(C)CC{3}[C@H](O)[C@]3(C){19}CO 1 compound(s) in CSDB (view)
virescenoside Z11, Z15 aglycon SMILES C=C[C@@]1(C)CC/C2=C(C1)/C(=O)C[C@@H]3[C@]2(C)C{2}[C@@H](O){3}[C@H](O)[C@]3(C){19}CO 2 compound(s) in CSDB (view)
virescenoside Z9 aglycon SMILES C=C[C@@]3(C)CC[C@@H]2[C@@]1(C)C{2}[C@@H](O){3}[C@H](O)[C@](C)({19}CO)[C@@H]1{6}[C@@H](O)C(=O)[C@@]2(O)C3 1 compound(s) in CSDB (view)
virescenoside Z16 aglycon SMILES C=C[C@@]3(C)CC[C@H]1/C(=C\C[C@H]2[C@@](C)({19}CO)C(=O)CC[C@]12C)C3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C[C@@]3(C)CC[C@H]1/C(=C\C[C@H]2[C@@](C)(CO)C(=O)CC[C@]12C)C3$
virescenoside Z12, Z18 aglycon SMILES C=C[C@@]3(C)CC[C@H]1/C(=C\C[C@H]2[C@@](C)({19}CO){3}[C@@H](O)CC[C@]12C)C3 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C[C@@]3(C)CC[C@H]1/C(=C\C[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]12C)C3$
virescenoside Z13, Z17 aglycon SMILES C=C[C@@]3(C)CC[C@H]1/C(=C\C[C@H]2[C@@](C)({19}CO){3}[C@@H](O){2}[C@H](O)C[C@]12C)C3 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C[C@@]3(C)CC[C@H]1/C(=C\C[C@H]2[C@@](C)(CO)[C@@H](O)[C@H](O)C[C@]12C)C3$
virescenoside V, Z14 aglycon SMILES C=C[C@]3(C)/C=C\2C(=O)C[C@H]1[C@@](C)({19}CO){3}[C@@H](O){2}[C@H](O)C[C@]1(C)[C@H]2CC3 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C[C@]3(C)/C=C\2C(=O)C[C@H]1[C@@](C)(CO)[C@@H](O)[C@H](O)C[C@]1(C)[C@H]2CC3$
virescenoside Z6 aglycon SMILES C[C@]12CC{3}[C@H](O)[C@@]({19}CO)(C)C1C{7}[C@@H](O)C3=C[C@](C=C)(C)CCC32 1 compound(s) in CSDB (view)
virescenoside Z7 aglycon SMILES C[C@]12C{2}[C@@H](O){3}[C@H](O)[C@@]({19}CO)(C)C1C(C=C3C2CC[C@@]({15}[C@@H](O)CCl)(C)C3)O 1 compound(s) in CSDB (view)
virescenoside Z8 aglycon SMILES C[C@]12C{2}[C@@H](O){3}[C@H](O)[C@@]({19}CO)(C)C1{6}C(O)=CC3=C[C@](C=C)(C)CCC32 1 compound(s) in CSDB (view)
erinacine B aglycon SMILES CC(C)/C3=C/2[C@H]1C/C=C(C=O)\{7}[C@@H](O){6}[C@H](O)[C@]1(C)CC[C@@]2(C)CC3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@H]1C/C=C(C=O)\[C@@H](O)[C@H](O)[C@]1(C)CC[C@@]2(C)CC3$
erinacine C aglycon SMILES CC(C)/C3=C/2[C@H]1C/C=C({15}CO)\{7}[C@@H](O){6}[C@H](O)[C@]1(C)CC[C@@]2(C)CC3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@H]1C/C=C(CO)\[C@@H](O)[C@H](O)[C@]1(C)CC[C@@]2(C)CC3$
erinacine K aglycon SMILES CC(C)/C3=C/2[C@H]1C{9}C(O)/C({15}CO)=C\{6}[C@H](O)[C@]1(C)CC[C@@]2(C)CC3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@H]1CC(O)/C(CO)=C\[C@H](O)[C@]1(C)CC[C@@]2(C)CC3$
erinacine R aglycon SMILES CC(C)/C3=C/2[C@H]1C{9}[C@@H](O)/C(C=O)=C\{6}[C@H](O)[C@]1(C)CC(=O)[C@@]2(C)CC3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@H]1C[C@@H](O)/C(C=O)=C\[C@H](O)[C@]1(C)CC(=O)[C@@]2(C)CC3$
erinacine P aglycon SMILES CC(C)/C3=C/2[C@H]1C{9}[C@@H](O)/C(C=O)=C\{6}[C@H](O)[C@]1(C)CC[C@@]2(C)CC3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@H]1C[C@@H](O)/C(C=O)=C\[C@H](O)[C@]1(C)CC[C@@]2(C)CC3$
erinacine Q aglycon SMILES CC(C)/C3=C/2[C@H]1C{9}[C@@H](O)/C({15}CO)=C\{6}[C@H](O)[C@]1(C)CC[C@@]2(C)CC3 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@H]1C[C@@H](O)/C(CO)=C\[C@H](O)[C@]1(C)CC[C@@]2(C)CC3$
erinacine D aglycon SMILES CC(C)/C3=C/2[C@H]1C{9}[C@H](O)/C(C=O)=C\{6}[C@H](O)[C@]1(C)CC[C@@]2(C)CC3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@H]1C[C@H](O)/C(C=O)=C\[C@H](O)[C@]1(C)CC[C@@]2(C)CC3$
erinacine H aglycon SMILES CC(C)/C3=C/2\C1=C\C=C({15}C(=O)O)/C{6}[C@H](O)[C@]1(C)CC[C@@]2(C)CC3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2\C1=C\C=C(C(=O)O)/C[C@H](O)[C@]1(C)CC[C@@]2(C)CC3$
erinacine A aglycon SMILES CC(C)/C3=C/2\C1=C\C=C(C=O)/C{6}[C@H](O)[C@]1(C)CC[C@@]2(C)CC3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2\C1=C\C=C(C=O)/C[C@H](O)[C@]1(C)CC[C@@]2(C)CC3$
16-O-demethyl 3-epifusicoccin J aglycon SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC[C@@H]({16}CO)C1=C\[C@@]2(C){12}[C@@H](O)C3 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@@H](CO)C1=C\[C@@]2(C)[C@@H](O)C3$
fusicoccin H aglycon SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC[C@H]({16}CO)C1=C\[C@@]2(C)CC3 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@H](CO)C1=C\[C@@]2(C)CC3$
fusicoccin Q aglycon SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC[C@H]({16}CO)C1=C\[C@@]2(C){12}[C@@H](O)C3 8 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@H](CO)C1=C\[C@@]2(C)[C@@H](O)C3$
fusicoccin aglycon SMILES O{16}C[C@@H]1CCC2/C1=C\[C@@]3(C)C({9}[C@H](O){8}[C@@H](O)[C@H]2C)=C([C@@H](C){15}CO)C{12}[C@H]3O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC[C@@H]1CCC2/C1=C\[C@@]3(C)C([C@H](O)[C@@H](O)[C@H]2C)=C([C@@H](C)CO)C[C@H]3O$
cotylenol epimer SMILES COC{1}[C@]1(O)CC[C@H]2/C1=C\[C@@]3(C)CCC(C(C)C)=C3{6}[C@@H](O){5}[C@H](O)[C@@H]2C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC[C@]1(O)CC[C@H]2/C1=C\[C@@]3(C)CCC(C(C)C)=C3[C@@H](O)[C@H](O)[C@@H]2C$
cotylenol SMILES COC{1}[C@@]1(O)CC[C@H]2/C1=C\[C@@]3(C)CCC(C(C)C)=C3{6}[C@@H](O){5}[C@H](O)[C@@H]2C 12 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC[C@@]1(O)CC[C@H]2/C1=C\[C@@]3(C)CCC(C(C)C)=C3[C@@H](O)[C@H](O)[C@@H]2C$
dongtingnoid A aglycon SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC{3}[C@](O)({16}CO)C1=C\[C@@]2(C)CC3 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@](O)(CO)C1=C\[C@@]2(C)CC3$
dongtingnoid B aglycon SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC{3}[C@@](O)({16}CO)C1=C\[C@@]2(C)CC3 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@@](O)(CO)C1=C\[C@@]2(C)CC3$
dongtingnoid C aglycon SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)/C1=C(C(=O)CC1)\{1}[C@H](O)[C@@]2(C)CC3 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)/C1=C(C(=O)CC1)\[C@H](O)[C@@]2(C)CC3$
dongtingnoid D aglycon SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]1CC/C({16}CO)=C1/{1}[C@H](O)[C@@]2(C)CC3 2 compound(s) in CSDB (view)
dongtingnoid E aglycon SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1C/C=C({16}CO)\C1=C\[C@@]2(C)CC3 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1C/C=C(CO)\C1=C\[C@@]2(C)CC3$
burnettramic acid A aglycon SMILES C[C@@H](C[C@@H](/{9}C(O)=C1C([C@]2(C{1}[C@@H](O)CN2C\1=O)[H])=O)C)CCCCCCC/C=C/C{23}[C@@H](CCC{27}[C@@H](CCCCCC{34}CO)O)O 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H](C[C@@H](/C(O)=C1C([C@]2(C[C@@H](O)CN2C\1=O)[H])=O)C)CCCCCCC/C=C/C[C@@H](CCC[C@@H](CCCCCCCO)O)O$
burnettramic acid B aglycon SMILES CC(CC({9}C(O)=C1C([C@H]2C{1}[C@@H](O)CN2C1=O)=O)C)CCCCCCCCCC=CC{25}C(O)CCC{29}C(O)CCCC{34}CO 1 compound(s) in CSDB (view)
burnettramic acid C aglycon SMILES C[C@@H](C[C@@H](/{9}C(O)=C1C([C@]2(CCCN2C\1=O)[H])=O)C)CCCCCCC/C=C/C{23}[C@@H](CCC{27}[C@@H](CCCCCC{34}CO)O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H](C[C@@H](/C(O)=C1C([C@]2(CCCN2C\1=O)[H])=O)C)CCCCCCC/C=C/C[C@@H](CCC[C@@H](CCCCCCCO)O)O$
burnettramic acid D aglycon SMILES C[C@@H](C[C@@H](/{9}C(O)=C1C([C@]2(C{1}[C@@H](O)CN2C\1=O)[H])=O)C)CCCCC/C=C/C=C/C{23}[C@@H](CCC{27}[C@@H](CCCCCC{34}CO)O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H](C[C@@H](/C(O)=C1C([C@]2(C[C@@H](O)CN2C\1=O)[H])=O)C)CCCCC/C=C/C=C/C[C@@H](CCC[C@@H](CCCCCCCO)O)O$
burnettramic acid E aglycon SMILES C[C@@H](C[C@@H](/{9}C(O)=C1C([C@]2(C{1}[C@@H](O)CN2C\1=O)[H])=O)C)CCCCCCCCCC{23}[C@@H](CCC{27}[C@@H](CCCCCC{34}CO)O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H](C[C@@H](/C(O)=C1C([C@]2(C[C@@H](O)CN2C\1=O)[H])=O)C)CCCCCCCCCC[C@@H](CCC[C@@H](CCCCCCCO)O)O$
(13R)-tetrahydroberberrubine SMILES COC1=CC=C2C[C@@H]3C4=CC5=C(C=C4CCN3CC2={1}C1O)OCO5 1 compound(s) in CSDB (view)
(13S)-tetrahydroberberrubine SMILES COC1=CC=C2C[C@H]3C4=CC5=C(C=C4CCN3CC2={1}C1O)OCO5 1 compound(s) in CSDB (view)
epicoccamide aglycon SMILES O=C1C(N({2}C(O)=C1C(C(CCCCCCCCCCCCC{21}CO)C)=O)C)C 4 compound(s) in CSDB (view)
epicoccamide A, B, C aglycon SMILES CC1C(/C(C(N1C)=O)={6}C(O)\C(CCCCCCCCCCCCC{21}CO)C)=O 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1C(/C(C(N1C)=O)=C(O)\C(CCCCCCCCCCCCCCO)C)=O$
(Z)-3-(1,18-dihydroxy-2-methyloctadecylidene)-1,5-dimethylpyrrolidine-2,4-dione epicoccamide D aglycon SMILES CC1C(/C(C(N1C)=O)={7}C(O)\C(CCCCCCCCCCCCCCC{24}CO)C)=O 4 compound(s) in CSDB (view) (default 7-OH form, as in Pubchem)	$Subst // Subst = SMILES CC1C(/C(C(N1C)=O)=C(O)\C(CCCCCCCCCCCCCCCCO)C)=O$
epicoccamide D aglycon (1-OH form) SMILES O=C1C(C)N(C){1}C(O)=C1C(C(C)CCCCCCCCCCCCCCC{24}CO)=O 1 compound(s) in CSDB (view)
epicoccamide D aglycon (3-OH form) SMILES O{3}C(C(N1C)C)=C(C(C(CCCCCCCCCCCCCCC{24}CO)C)=O)C1=O 1 compound(s) in CSDB (view)
virgineone aglycon SMILES CC(C(C1={3}C([C@@H](NC1=O)CC2=CC={54}C(C=C2)O)O)=O)CCCCCCCCC(CCCCCCCCC{26}[C@H]({27}CO)O)=O 3 compound(s) in CSDB (view)
1,2-dehydrovirgineone aglycon SMILES CC(C(C1={3}C(C(CC2=CC={54}C(C=C2)O)=NC1=O)O)=O)CCCCCCCCC(CCCCCCCCC{26}[C@H]({27}CO)O)=O 2 compound(s) in CSDB (view)
diplopimarane SMILES CC1(C)CCCC2=C1{6}C(O)={7}C(O)C3=C2CC[C@](C)(C=C){14}[C@@H]3O 2 compound(s) in CSDB (view)
osthenol SMILES C/C(C)=C\CC1={7}C(C=CC(C=C2)=C1OC2=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C(C=CC(C=C2)=C1OC2=O)O$
enfumafungin aglycon SMILES CC(C)[C@@H](C)[C@@]5(C)CC[C@]4(C)[C@H]/3CC[C@H]1[C@@]2(C)COC(O)[C@@]1(C{3}[C@@H](O){2}[C@@H]2O)C3=C\C[C@@]4(C)[C@@H]5{16}C(=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)[C@@H](C)[C@@]5(C)CC[C@]4(C)[C@H]/3CC[C@H]1[C@@]2(C)COC(O)[C@@]1(C[C@@H](O)[C@@H]2O)C3=C\C[C@@]4(C)[C@@H]5C(=O)O$
myrotheside D aglycon SMILES CC(C)[C@@H]1C{19}[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]3(C)[C@H]5/C(=C\C[C@]23C)[C@]46CC[C@@H]7OC4O[C@H]5C[C@H]6C7(C)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]3(C)[C@H]5/C(=C\C[C@]23C)[C@]46CC[C@@H]7OC4O[C@H]5C[C@H]6C7(C)C$
peniciside aglycon SMILES CC(C)[C@H]1{20}[C@H](O){19}[C@H](O)[C@@H]4[C@]1(C)CC[C@]5(C)[C@H]/3CC[C@H]2[C@](C)(C){3}[C@@H](O){2}[C@H](O)C[C@]2(C)C3=C\C[C@@]45C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H]4[C@]1(C)CC[C@]5(C)[C@H]/3CC[C@H]2[C@](C)(C)[C@@H](O)[C@H](O)C[C@]2(C)C3=C\C[C@@]45C$
terezine L aglycon SMILES CC(C1={2}C(O)N=C(C(C2=CC={54}C(O)C=C2)=O)C(OC)=N1)C 1 compound(s) in CSDB (view)
spirolaxine SMILES COC1=C(C(O[C@@H]2CCCCC[C@@H]3CCC[C@@]4(O3)CC[C@@H](O4)C)=O)C2=C{5}C(O)=C1 3 compound(s) in CSDB (view)
hydroxyhebevinogenin SMILES C/C(C)=C/CCC(C)C3{16}C(O)CC4(C)C2{7}C(O)/C=C/1C(CC{3}C(O)C1(C)C)C2(C)CCC34C 10 compound(s) in CSDB (view)
neurosporaxanthin SMILES C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)/CCCC1(C)C)/C=C/C=C(C)\C=C\C=C(C)/{1}C(=O)O 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)/CCCC1(C)C)/C=C/C=C(C)\C=C\C=C(C)/C(=O)O$
silybin A SMILES COC1=CC([C@H]2OC3=CC([C@@H]4OC5=C{7}C(O)=C{5}C(O)=C5C({3}[C@H]4O)=O)=CC=C3O[C@@H]2{59}CO)=CC={104}C1O 3 compound(s) in CSDB (view)
silybin B SMILES COC1=CC([C@@H]2OC3=CC([C@@H]4OC5=C{7}C(O)=C{5}C(O)=C5C({3}[C@H]4O)=O)=CC=C3O[C@H]2{59}CO)=CC={104}C1O 3 compound(s) in CSDB (view)
cardamonin SMILES COC1=C(C(/C=C/C2=CC=CC=C2)=O){6}C(O)=C{4}C(O)=C1 2 compound(s) in CSDB (view)
malbrancheogenin SMILES C{10}C(O)([C@@H]1CC[C@@]2(C)[C@]3([H])CC[C@@](C4=C[C@@]5(C)[C@](O[C@H]({59}C(C)(O)C)CC5)([H])CC4)([H])[C@@]3(C)C{5}[C@@H](O)[C@]2([H])O1)C 4 compound(s) in CSDB (view)
(R,Z)-5-(N,5-dihydroxy-3-methylpent-2-enamido)-2-(dimethylamino)pentanoic acid SMILES C/C(C{11}CO)=C/C(N(CCC[C@@H](N(C)C)C(O)=O)O)=O 1 compound(s) in CSDB (view)
(2R)-2-(1H-indol-3-yl)propanoic acid SMILES C[C@H](C1=CNC2=CC=CC=C12){11}C(O)=O 3 compound(s) in CSDB (view)
auxarthonoside aglycon SMILES C/C(=C\CC/C=C(C)/CC[C@@H]1O[C@H]({7}C(C)(C)O)CC{3}[C@@]1(C)O)CC[C@@H]2O[C@H]({57}C(C)(C)O)CC{53}[C@@]2(C)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\CC/C=C(C)/CC[C@@H]1O[C@H](C(C)(C)O)CC[C@@]1(C)O)CC[C@@H]2O[C@H](C(C)(C)O)CC[C@@]2(C)O$
ginsenoside Rh2(S) aglycon SMILES C/C(C)=C/CC{20}[C@](C)(O)C1CC[C@@]4(C)C1{12}[C@@H](O)CC3[C@]2(C)CC{3}[C@@H](O)[C@](C)(C)C2CC[C@@]34C 2 compound(s) in CSDB (view)
mathemycin A aglycon SMILES C/C1=C/C(C){15}C(O)/C(C)=C\{18}C(O){19}C(O)C(C){21}C(O)C{23}C(O)C{25}C(O)C(C){27}C(O)C{29}C(O)C{31}C(O)C(C){33}C(O)C{35}C(O)C{37}C(O)C(C)C(C(C)CC(C)CCCCCCN)OC(=O)CCC(C){5}C(O)CC/C=C\C(C){11}C1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C1=C/C(C)C(O)/C(C)=C\C(O)C(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CC(C)CCCCCCN)OC(=O)CCC(C)C(O)CC/C=C\C(C)C1O$
beauverichelin A aglycon SMILES C/C(CCOC([C@@H](N(C)(C)=O)CCCN(C(/C=C(C{11}CO)\C)=O)O)=O)=C/C(N(CCC[C@@H]1NC([C@@H](NC1=O)CCCN(C(/C=C(C{61}CO)\C)=O)O)=O)O)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(CCOC([C@@H](N(C)(C)=O)CCCN(C(/C=C(CCO)\C)=O)O)=O)=C/C(N(CCC[C@@H]1NC([C@@H](NC1=O)CCCN(C(/C=C(CCO)\C)=O)O)=O)O)=O$
egonol SMILES COC1=C2C(=CC(=C1)CC{10}CO)C=C(O2)C3=CC4=C(C=C3)OCO4 6 compound(s) in CSDB (view)
(3,6-dimethyl-2-(4-methylpent-3-en-1-yl)phenyl)methanol SMILES C/C(C)=C\CCC1=C({11}CO)C(C)=CC=C1C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CCC1=C(CO)C(C)=CC=C1C$
scirpenol SMILES C/C2=C/[C@H]1O[C@@H]3{3}[C@H](O){4}[C@@H](O)[C@](C)([C@@]1({15}CO)CC2)[C@@]34CO4 1 compound(s) in CSDB (view)
pinicolic acid C SMILES C=C(C)[C@@H]3CC/C1=C(CC[C@]2(C)[C@@H]([C@@H](CC/C=C(C)/C){21}C(=O)O)CC[C@@]12C)\[C@@]3(C)CC{3}C(=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C(C)[C@@H]3CC/C1=C(CC[C@]2(C)[C@@H]([C@@H](CC/C=C(C)/C)C(=O)O)CC[C@@]12C)\[C@@]3(C)CCC(=O)O$
xanthohumol SMILES C/C(C)=C\CC1={52}C(O)C(C(/C=C/C2=CC={54}C(C=C2)O)=O)=C(OC)C={4}C1O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C(O)C(C(/C=C/C2=CC=C(C=C2)O)=O)=C(OC)C=C1O$
HT2 toxin SMILES CC1=C[C@@H]2[C@]([C@@]3(C){4}[C@H](O){3}[C@@H](O)[C@@H](O2)[C@@]34CO4)(COC(C)=O)C[C@@H]1OC(CC(C)C)=O 7 compound(s) in CSDB (view)
neosolaniol SMILES CC1=C[C@@H]2[C@]([C@@]3(C)[C@H](OC(C)=O){3}[C@@H](O)[C@@H](O2)[C@@]34CO4)(COC(C)=O)C{10}[C@@H]1O 1 compound(s) in CSDB (view)
aleurodiscal aglycon SMILES C/C3=C/1C{8}C(O)[C@@H](C)[C@@H]1C/C=C(C=O)\[C@H]4C[C@@]2(C)CC[C@@H](C(C)C)[C@@H]2C[C@H]34 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C3=C/1CC(O)[C@@H](C)[C@@H]1C/C=C(C=O)\[C@H]4C[C@@]2(C)CC[C@@H](C(C)C)[C@@H]2C[C@H]34$
mutilin SMILES C=C[C@@]1(C){11}[C@@H](O)[C@H](C)[C@]23[C@]([C@]({14}[C@H](O)C1)([C@H](C)CC2)C)(C(CC3)=O)[H] 1 compound(s) in CSDB (view)
solamargine aglycon SMILES CC1CC[C@@]6(NC1)OC5CC4C3C/C=C\2C{6}[C@@H](O)CC[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1CC[C@@]6(NC1)OC5CC4C3C/C=C\2C[C@@H](O)CC[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C$
lunalide aglycon SMILES CCC(C)/C=C(C)/{11}C(O)C(C)/C=C(C)/{7}C(O)C(C)/C=C(C)/{3}C(O)C(C)C(=O)OC 4 compound(s) in CSDB (view)
epipyrone aglycon SMILES CCC(CC(/C=C({28}C(O)=O)/C=C(/C=C/C=C/C=C/C=C/C=C/C1=C{4}C(O)={3}C(C(O1)=O))C)C)C 4 compound(s) in CSDB (view)
2-(hydroxymethyl)-6-(3-methylbut-2-en-1-yl)-3-propylphenol SMILES CCCC1=C({7}CO){1}C(O)=C(C/C=C(C)\C)C=C1 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCC1=C(CO)C(O)=C(C/C=C(C)\C)C=C1$
khafrefungin aglycon SMILES CCCCCCCCCC[C@H](C){11}[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C(=O)[C@H](C)/C=C(C)\{1}C(=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCCCC[C@H](C)[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C(=O)[C@H](C)/C=C(C)\C(=O)O$
depsitinuside aglycon SMILES CCCCCCCC1=CC(OC(C2=C(CCCCCC)C={5}C(O)C={3}C2O)=O)=C{53}C(O)=C1 1 compound(s) in CSDB (view)
resorcinoside A aglycon SMILES CC[C@@H]({20}[C@@H](CCCCCCC/C=C/C=C/CCC1=C{1}C(O)=C{3}C(O)=C1)O)C 2 compound(s) in CSDB (view)
resorcinoside V aglycon SMILES CC[C@@H]({20}[C@@H](CCCCCCC/C=C/C=C/CCC1=C(CC2={51}C(C=C(OC2=O)C)O){3}C(O)=C{1}C(O)=C1)O)C 1 compound(s) in CSDB (view)
ISIR-005 aglycon SMILES COC[C@@H]2CCC\3C{8}[C@H](O){9}[C@@H](O)/C1=C(C(C)C)/CC[C@@]1(C)/C=C23 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC[C@@H]2CCC\3C[C@H](O)[C@@H](O)/C1=C(C(C)C)/CC[C@@]1(C)/C=C23$
ISIR-050 aglycon SMILES COC{3}[C@]/1(O)CCC3C1=C/[C@]2(C)CC/C(C(C)C)=C2/{9}[C@H](O){8}[C@@H](O)[C@H]3C 2 compound(s) in CSDB (view)
FC-THF aglycon SMILES COC[C@@H]3CCC\4C{8}[C@H](O){9}[C@@H](O)/C2=C(C(C)C)/[C@H]1CCO[C@H]1[C@@]2(C)/C=C34 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC[C@@H]3CCC\4C[C@H](O)[C@@H](O)/C2=C(C(C)C)/[C@H]1CCO[C@H]1[C@@]2(C)/C=C34$
myrotheside C aglycon SMILES CO[C@@H]1O[C@H]6C[C@H]2C(C)(C){3}[C@@H](O)CC[C@@]12/C5=C/C[C@]4(C)[C@H]3{19}[C@H](O)C[C@@H](C(C)C)[C@]3(C)CC[C@@]4(C)[C@@H]56 1 compound(s) in CSDB (view)
umbilicaxanthone B SMILES COC1=CC(C/C=C(C)\C)={1}C(C2=C1OC3=C(C(C/C=C(C)\C)={7}C(C={5}C3O)O)C2=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC1=CC(C/C=C(C)\C)=C(C2=C1OC3=C(C(C/C=C(C)\C)=C(C=C3O)O)C2=O)O$
umbilicaxanthone A SMILES COC1=CC(C/C=C(C)\C)={1}C(C2=C1OC3=C(C={7}C(C={5}C3O)O)C2=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC1=CC(C/C=C(C)\C)=C(C2=C1OC3=C(C=C(C=C3O)O)C2=O)O$
asperflavin SMILES COC1=C{3}C(O)=CC(C=C2C{6}[C@@](C)(C3)O)=C1{9}C(O)=C2C3=O 2 compound(s) in CSDB (view)
colleflaccinoside aglycon SMILES COC1=CC(C(C2=C3{58}C(O)=C({61}CO){57}C(O)=C2C/C=C(C)\C)=O)=C({51}C(O)=C1C4={3}C(C=C5C(C6=C(C(C5=C4OC)=O){8}C(O)=C({11}CO){6}C(O)=C6C/C=C(C)\C)=O)O)C3=O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC1=CC(C(C2=C3C(O)=C(CO)C(O)=C2C/C=C(C)\C)=O)=C(C(O)=C1C4=C(C=C5C(C6=C(C(C5=C4OC)=O)C(O)=C(CO)C(O)=C6C/C=C(C)\C)=O)O)C3=O$
5'-deoxy-5'-(methylthio)adenosine SMILES CSC[C@H]1O[C@H]({3}[C@@H]({4}[C@@H]1O)O)N2C=NC3=C2N=CN=C3N 1 compound(s) in CSDB (view)
protobioside aglycon SMILES C[C@@H]({26}CO)CC{22}[C@@]5(O)OC4CC3C2C/C=C\1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H](CO)CC[C@@]5(O)OC4CC3C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2CC[C@]3(C)C4[C@@H]5C$
12β-hydroxyisorhodeasapogenin SMILES C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]3[C@H](C[C@@H]4[C@]3(C){12}[C@H](O)C[C@H]5[C@H]4CC[C@H]6[C@]5(C){1}[C@H](O)C{3}[C@H](O)C6)O2 1 compound(s) in CSDB (view)
8-epiloganic acid aglycon SMILES C[C@@H]1{6}[C@@H](O)C[C@H]2[C@@H]1{1}[C@H](O)OC=C2{8}C(O)=O 2 compound(s) in CSDB (view)
brasilane E aglycon SMILES C[C@H]1CC[C@@]2([C@]([C@]3({9}CO)C=O)(O3)CC(C)(C[C@]21[H])C)[H] 1 compound(s) in CSDB (view)
(R)-6,8-dihydroxy-3-(((2R,6S)-6-methyltetrahydro-2H-pyran-2-yl)methyl)-3,4-dihydronaphthalen-1(2H)-one SMILES C[C@H]1CCC[C@H](C[C@@H]2CC(C3={8}C(O)C={6}C(O)C=C3C2)=O)O1 1 compound(s) in CSDB (view)
lumichrome = 7,8-dimethylalloxazine SMILES CC1=CC(N=C2C({2}N3)=O)=C(C=C1C){5}NC2=NC3=O 4 compound(s) in CSDB (view)
dermocybin SMILES CC1=CC2=C(C(C3=C({5}C(O)=C(OC){7}C(O)={8}C3O)C2=O)=O){1}C(O)=C1 2 compound(s) in CSDB (view)
caloporoside aglycon SMILES C{23}[C@H](CCCCCCCCCCCCCCCC1=C({1}C(O)=O){3}C(O)=CC=C1)O 13 compound(s) in CSDB (view)
collemin A aglycon SMILES N/C2={53}C(O)/C(=O)C(O[C@H]1N{2}[C@@H](O){3}[C@@H](O)[C@H]1OC{102}CO)C({57}CO)C2 1 compound(s) in CSDB (view)
davidigenin SMILES O=C(C1={2}C(O)C={4}C(O)C=C1)CCC2=CC={54}C(O)C=C2 1 compound(s) in CSDB (view)
hymatoxin K aglycon SMILES O=C1[C@@]2(C)CCC[C@@]3(C)[C@@]2([H])C(O1)C=C4{9}[C@]3(O)CC[C@@](C{16}CO)(C)C4[H] 1 compound(s) in CSDB (view)
hymatoxin L aglycon SMILES O=C1[C@@]2(C)CCC[C@@]3(C)[C@@]2([H])C(O1)C=C4[C@]3([H])CC[C@@](C{16}CO)(C){14}[C@@H]4O 1 compound(s) in CSDB (view)
gotjawaside aglycon SMILES O=C1O{4}[C@H](C({11}[C@@H](C2=CC=CC=C2)O)=C1C3=CC=CC=C3)O 2 compound(s) in CSDB (view)
6-deoxycatalpol aglycon SMILES O{10}C[C@@]12[C@H]3{2}[C@H](O)OC=C[C@H]3C[C@@H]1O2 1 compound(s) in CSDB (view)
metachelin B aglycon SMILES O{11}CC/C(C)=C/C(N(CCC[C@@H](C(OCC/C(C)=C/C(N(CCC[C@@H]1NC([C@H](CCCN(C(/C=C(C{22}CO)\C)=O)O)NC1=O)=O)O)=O)=O)N(C)C)O)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OCC/C(C)=C/C(N(CCC[C@@H](C(OCC/C(C)=C/C(N(CCC[C@@H]1NC([C@H](CCCN(C(/C=C(CCO)\C)=O)O)NC1=O)=O)O)=O)=O)N(C)C)O)=O$
metachelin A aglycon SMILES O{11}CC/C(C)=C/C(N(CCC[C@@H](C(OCC/C(C)=C/C(N(CCC[C@@H]1NC([C@H](CCCN(C(/C=C(C{22}CO)\C)=O)O)NC1=O)=O)O)=O)=O)[N+](C)([O-])C)O)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OCC/C(C)=C/C(N(CCC[C@@H](C(OCC/C(C)=C/C(N(CCC[C@@H]1NC([C@H](CCCN(C(/C=C(CCO)\C)=O)O)NC1=O)=O)O)=O)=O)[N+](C)([O-])C)O)=O$
mericeramide B aglycon SMILES O{1}C{2}[C@H](N){3}[C@H](O)/C=C/CCC(Cl){9}C(C)(O)CCCCCCCC 1 compound(s) in CSDB (view)
mericeramide A aglycon SMILES O{1}C{2}[C@H](N){3}[C@H](O)/C=C/CC{8}C(O){9}C(C)(O)CCCCCCCC 1 compound(s) in CSDB (view)
kolokoside A aglycon SMILES O{3}[C@H]1{2}[C@H](O)C[C@@]2(C)[C@](CC[C@@]3([H])C2=CC[C@]4(C)[C@]3(C)CC([C@@]([C@H](C)C(C)C)(C)[C@@]4([H]){30}C(O)=O)=O)([H])C1(C)C 2 compound(s) in CSDB (view)
hypomonticuside aglycon SMILES CO[C@@]1(C)CCC[C@@]2(C)C1CC=C3C2CC[C@@](C{15}CO)(C)C3 1 compound(s) in CSDB (view)
gliocladinin C aglycon SMILES O{4}C1=CC=C(C2=C{52}C(O)=C({54}C(O)={55}C2O)C3=CC={104}C(O)C=C3)C=C1 2 compound(s) in CSDB (view)
(Z)-6-hydroxyaurone SMILES O=C1/C(CC2=C1{4}C(O)=C{6}C(O)={7}C2O)=C/C3=CC={54}C(C=C3)O 2 compound(s) in CSDB (view)
dimerumic acid SMILES C/C(C{11}CO)=C/C(N(CCC[C@@H]1NC([C@@H](NC1=O)CCCN(C(/C=C(C{61}CO)\C)=O)O)=O)O)=O 6 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(CCO)=C/C(N(CCC[C@@H]1NC([C@@H](NC1=O)CCCN(C(/C=C(CCO)\C)=O)O)=O)O)=O$
phloretin SMILES O=C(C1={6}C(C={4}C(C={2}C1O)O)O)CCC2=CC={54}C(O)C=C2 11 compound(s) in CSDB (view)
morusin SMILES C/C(C)=C\CC1=C(OC2=C(C1=O){5}C(O)=CC3=C2C=CC(C)(O3)C)C4={52}C(O)C={54}C(O)C=C4 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C(OC2=C(C1=O)C(O)=CC3=C2C=CC(C)(O3)C)C4=C(O)C=C(O)C=C4$
1,8-dihydroxy-3-methylanthraquinone chrysopanol SMILES O=C1C2=C(C=C(C)C={1}C2O)C(C3=C1{8}C(O)=CC=C3)=O 6 compound(s) in CSDB (view)
ginsenoside Rh2(R) aglycon SMILES C/C(C)=C\CC{20}[C@](C)(O)C1CC[C@]4(C)C1{12}[C@H](O)CC3[C@@]2(C)CC{3}[C@H](O)[C@@](C)(C)C2CC[C@]34C 7 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@](C)(O)C1CC[C@]4(C)C1[C@H](O)CC3[C@@]2(C)CC[C@H](O)[C@@](C)(C)C2CC[C@]34C$
(3S,11E,13E)-5-acetyl-6,8-dihydroxy-3-(oxopentadienyl)isochroman-1-one SMILES CC(=O)c1{6}c(O)c{8}c(O)c2C(=O)O[C@H](/C=C/C=C/C=O)Cc12 4 compound(s) in CSDB (view)
(S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,4-dihydro-6,8-dihydroxy-5-methyl-1H-2-benzopyran-1-one SMILES C/C=C/C=C/C=C/[C@@H]1CC2=C({8}C(O)=C{6}C(O)=C2C(O1)=O)C 4 compound(s) in CSDB (view)
zearalenone SMILES C[C@H]1CCCC(CCC/C=C/C2=C{4}C(O)=C{2}C(O)=C2C(O1)=O)=O 4 compound(s) in CSDB (view)
deoxynivalenol SMILES C/C4=C/[C@H]3O[C@@H]1{3}[C@@H](O)C[C@](C)([C@@]12CO2)[C@@]3({11}CO){10}[C@H](O)C4=O 1 compound(s) in CSDB (view)
triclosan SMILES O{1}C1=CC(Cl)=CC=C1OC2=CC=C(C=C2Cl)Cl 2 compound(s) in CSDB (view)
alternariol SMILES CC1=C{10}C(=CC2=C1C3={2}C(C(=C{4}C(=C3)O)O)C(=O)O2)O 3 compound(s) in CSDB (view)
nerolidol SMILES C=C{3}[C@@](C)(O)CC/C=C(C)/CC/C=C(C)/C 1 compound(s) in CSDB (view)
(2Z,3E,5E,7E,9E,11E,13E)-14-(3,4-dihydroxy-2-oxo-2H-pyran-6-yl)-2-(4,6-dimethyloctylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid SMILES CCC(C)CC(C)CC/C=C({29}C(O)=O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/C(O1)=C{4}C(O)={3}C(O)C1=O 1 compound(s) in CSDB (view)
(2Z,3Z,5E,7E,9E,11E,13E)-14-(3,4-dihydroxy-2-oxo-2H-pyran-6-yl)-2-(4,6-dimethyloctylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid SMILES CCC(C)CC(C)CC/C=C({29}C(O)=O)/C=C(\C=C\C=C\C=C\C=C\C=C\C(O1)=C{4}C(O)={3}C(O)C1=O)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCC(C)CC(C)CC/C=C(C(O)=O)/C=C(\C=C\C=C\C=C\C=C\C=C\C(O1)=CC(O)=C(O)C1=O)C$
O-demethylmetoprolol SMILES CC(NC{52}C(COC1=CC=C(C{8}CO)C=C1)O)C 1 compound(s) in CSDB (view)
Rh4 aglycon SMILES C/C(C)=C\C\C=C(C)\C3CC[C@@]4(C)C2C{6}[C@H](O)C1C(CC{3}[C@H](O)[C@]1(C)C)C2C{12}[C@@H](O)C34 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\C\C=C(C)\C3CC[C@@]4(C)C2C[C@H](O)C1C(CC[C@H](O)[C@]1(C)C)C2C[C@@H](O)C34$
TBDPS SMILES CC(C)({1}[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O)C 1 compound(s) in CSDB (view)
trachyloban-19-oic acid SMILES C[C@@]12CCC[C@](C)({19}C(O)=O)[C@H]1CC[C@]34[C@H]2C[C@H]5[C@H]([C@]5(C)C4)C3 1 compound(s) in CSDB (view)
allo-murolic acid SMILES C=C1{21}C(=O)O[C@@H](CCCCCCCCCCCCC{18}[C@@H](C)O)[C@H]1C(=O)O 5 compound(s) in CSDB (view)
murolic acid SMILES C=C1{21}C(=O)O[C@H](CCCCCCCCCCCCC{18}[C@@H](C)O)[C@H]1C(=O)O 6 compound(s) in CSDB (view)
protoconstipatic acid SMILES C=C1{21}C(=O)O[C@@H](CCCCCCCCCCCCC{18}[C@H](C)O)[C@@H]1C(=O)O 8 compound(s) in CSDB (view)
arm-biotin SMILES O=C(CCCC{1}CO)NCCCCCCNC(=O)CCCCC2SCC1NC(=O)NC12 1 compound(s) in CSDB (view)
asperfuran SMILES C/C=C/C=C/[C@H]1CC2=C{5}C(O)=C{7}C(O)=C2O1 1 compound(s) in CSDB (view)
aspergillusene A SMILES C/C(C1={1}C(O)C=C({15}CO)C=C1)=C\CCC(C)C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C1=C(O)C=C(CO)C=C1)=C\CCC(C)C$
biotin-PEG6-amine SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)NCC{1}CO)[C@@]1([H])NC(=O)N2 12 compound(s) in CSDB (view)
helminthosporoside aglycon SMILES C[C@@]12[C@@H](C[C@@H](C({6}CO)=C)CC2)C(C)=C{1}[C@H](O)C1 3 compound(s) in CSDB (view)
honokiol SMILES C=CCC1=CC(C2=CC={54}C(C(CC=C)=C2)O)={2}C(O)C=C1 2 compound(s) in CSDB (view)
hydroquinone TIIA SMILES CC1=COC2=C1{12}C(O)={11}C(O)C3=C2C=CC4=C3CCCC4(C)C 2 compound(s) in CSDB (view)
imperialine SMILES C[C@H]1CC[C@@H]6N(C1)C[C@H]5[C@@H]4C[C@H]3[C@@H](CC(=O)[C@H]2C{3}[C@@H](O)CC[C@@]23C)[C@@H]4CC[C@H]5{13}[C@]6(C)O 1 compound(s) in CSDB (view)
indoloditerpene SMILES [H][C@]1(C2)[C@]([C@](CC{7}[C@H](O)[C@]3(CC/C=C(C)\C)C)(C)[C@@]3([H])CC1)(C)C4=C2C5=CC=CC=C5N4 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES [H][C@]1(C2)[C@]([C@](CC[C@H](O)[C@]3(CC/C=C(C)\C)C)(C)[C@@]3([H])CC1)(C)C4=C2C5=CC=CC=C5N4$
isoangustone A SMILES C/C(C)=C\CC1=CC(C2=COC3=C(C2=O){5}C(O)=C(C/C=C(C)\C){7}C(O)=C3)=C{53}C(O)={54}C1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=CC(C2=COC3=C(C2=O)C(O)=C(C/C=C(C)\C)C(O)=C3)=CC(O)=C1O$
6,8-dihydroxy-7-methoxy-3-[(E)-pent-3-enyl]isochromen-1-one SMILES C/C=C/CCC1=CC2=C(C(O1)=O){8}C(O)=C(OC){6}C(O)=C2
leucinostatin A SMILES CCC(=O)C{1}[C@@H](O)C[C@@H](C)C[C@H](NC(=O)[C@@H]1C[C@H](C)CN1C(=O)/C=C/[C@@H](C)CC)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C){2}[C@H](O)C(C)C 1 compound(s) in CSDB (view)
virescenoside X aglycon SMILES C[C@@](CC1)(C=C)CC2=C1[C@]3(C)C(C{7}[C@H]2O)[C@@](C)({19}CO){3}[C@@H](O){2}[C@H](O)C3 2 compound(s) in CSDB (view)
isotorachrysone SMILES COC1=C{6}C(O)=CC2=C1{1}C(O)=C(C(C)=O)C(C)=C2 1 compound(s) in CSDB (view)
juglanthraquinone A SMILES CCOC(C(C=C(C=C1C(C2{5}C(O)=CC=CC23)=O){15}C(O)=O)=C1C3=O)=O 1 compound(s) in CSDB (view)
kurarinone SMILES C=C(C)C(C/C=C(C)\C)C(C)C1={7}C(O)C=C(OC)C2=C1O[C@@H](CC2=O)C3=CC={54}C(O)C={52}C3O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C(C)C(C/C=C(C)\C)C(C)C1=C(O)C=C(OC)C2=C1O[C@@H](CC2=O)C3=CC=C(O)C=C3O$
norkurarinone SMILES C=C(C)C(C/C=C(C)\C)CC1={7}C(O)C={5}C(O)C2=C1O[C@@H](CC2=O)C3=CC={54}C(O)C={52}C3O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C(C)C(C/C=C(C)\C)CC1=C(O)C=C(O)C2=C1O[C@@H](CC2=O)C3=CC=C(O)C=C3O$
6'-hydroxynorkurarinone SMILES C=C(C)C(C/C={106}C(C)\O)CC1={7}C(O)C={5}C(O)C2=C1O[C@@H](CC2=O)C3={52}C(C={54}C(C=C3)O)O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C(C)C(C/C=C(C)\O)CC1=C(O)C=C(O)C2=C1O[C@@H](CC2=O)C3=C(C=C(C=C3)O)O$
litocholic acid SMILES C[C@H](CC{21}C(=O)O)[C@H]3CC[C@H]4[C@@H]2CC[C@@H]1C{3}[C@H](O)CC[C@]1(C)[C@H]2CC[C@]34C 2 compound(s) in CSDB (view)
macrosporin SMILES CC1=CC2=C(C={7}C1O)C(=O)C3=C(C2=O)C=C(C={1}C3O)OC 2 compound(s) in CSDB (view)
magnolol SMILES C=CCC1=CC={52}C(C(C2={2}C(O)C=CC(CC=C)=C2)=C1)O 3 compound(s) in CSDB (view)
malvidin-4-vinylcatechol SMILES COC1=CC(C(OC2=CC(C=C3OC(C4=CC=C(O){54}C(O)=C4)=CC5=C32)=O)={3}C5O)=CC(OC)=C1O 2 compound(s) in CSDB (view)
moracin M SMILES O{6}C1=CC=C2C=C(OC2=C1)C3=C{53}C(O)=C{55}C(O)=C3 2 compound(s) in CSDB (view)
3,5,7,2',4'-pentahydroxyflavone morin SMILES O=C1{3}C(O)=C(OC2=C1{5}C(O)=C{7}C(O)=C2)C3={52}C(O)C={54}C(O)C=C3 3 compound(s) in CSDB (view)
mycophenolic acid SMILES COC1=C(C(CO2)=C({7}C(O)=C1C/C=C({54}C(C{56}C(O)=O)O)\C)C2=O)C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC1=C(C(CO2)=C(C(O)=C1C/C=C(C(CC(O)=O)O)\C)C2=O)C$
norlichexanthone SMILES CC1=C{6}C(O)=CC(OC2=C3{1}C(O)=C{3}C(O)=C2)=C1C3=O 2 compound(s) in CSDB (view)
oleandolide SMILES C[C@H]2C[C@@]1(CO1)C(=O)[C@H](C){6}[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C){12}[C@@H](O)[C@H](C){14}[C@H]2O 1 compound(s) in CSDB (view)
orthosporin SMILES C{10}[C@@H](CC1=CC2=C(C(O1)=O){8}C(O)=C{6}C(O)=C2)O 2 compound(s) in CSDB (view)
trichobrasilenol SMILES C[C@H]1CC[C@@H]2/C(CC(C)(C)C[C@@H]21)=C({11}CO)\C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]1CC[C@@H]2/C(CC(C)(C)C[C@@H]21)=C(CO)\C$
12-hydroxytrichobrasilenol SMILES C[C@H]1CC[C@]2([H])/C(CC(C)(C)C[C@]21[H])=C({11}CO)\{12}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]1CC[C@]2([H])/C(CC(C)(C)C[C@]21[H])=C(CO)\CO$
trichodin A SMILES C[C@@H]1C[C@@H]([C@@H]2C3=C(C(C4=CC={54}C(O)C=C4)=CNC3=O)O[C@H]([C@H]2C1)C)C 1 compound(s) in CSDB (view)
α-mangostin SMILES O=C1C2=C(C={3}C(O)C(C/C=C(C)/C)={1}C2O)OC3=C{6}C(O)=C(OC)C(C/C=C(C)/C)=C31 1 compound(s) in CSDB (view)
4′-hydroxy-α-mangostin SMILES O=C1C2=C(C={3}C(O)C(C/C=C({54}CO)/C)={1}C2O)OC3=C{6}C(O)=C(OC)C(C/C=C(C)/C)=C31 1 compound(s) in CSDB (view)
α-zearalenol SMILES C[C@H]1CCC{13}[C@@H](CCC/C=C/C2=C{4}C(O)=C{2}C(O)=C2C(O1)=O)O 1 compound(s) in CSDB (view)
β-zearalenol SMILES C[C@H]1CCC{13}[C@H](CCC/C=C/C2=C{4}C(O)=C{2}C(O)=C2C(O1)=O)O 1 compound(s) in CSDB (view)
sordaricin B SMILES CC(C)/C3=C/[C@@H]2C[C@]4({15}C(=O)O)[C@@H]1CC[C@@H](C)[C@H]1C[C@@]2({17}CO)[C@]34{13}C(=O)O 4 compound(s) in CSDB (view)
xylapapuside B aglycon SMILES [H][C@]/12CC[C@](C)(C{16}CO)CC1=C\C[C@@]3(C){4}[C@@](C)(O)CCC[C@]23C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES [H][C@]/12CC[C@](C)(CCO)CC1=C\C[C@@]3(C)[C@@](C)(O)CCC[C@]23C$
(E)-2-methyl-3-((2R,2'S,3S,3'S)-3'-methyl-[2,2'-bioxiran]-3-yl)acrylic acid SMILES [H][C@@]1(C)O[C@]1([H])[C@]2([H])O[C@@]2([H])/C=C(C)/{1}C(=O)O 1 compound(s) in CSDB (view)
(S,E)-6,7,8-trihydroxy-3-(pent-3-en-1-yl)isochroman-1-one SMILES C/C=C/CC[C@H]1CC2=C(C(O1)=O){8}C(O)={7}C(O){6}C(O)=C2 6 compound(s) in CSDB (view)
(S,E)-6,8-dihydroxy-3-(pent-3-en-1-yl)isochroman-1-one SMILES C/C=C/CC[C@H]1CC2=C(C(O1)=O){8}C(O)=C{6}C(O)=C2 2 compound(s) in CSDB (view)
(S,E)-5,6,8-trihydroxy-3-(pent-3-en-1-yl)isochroman-1-one SMILES C/C=C/CC[C@H]1CC2=C(C(O1)=O){8}C(O)=C{6}C(O)={5}C2O 2 compound(s) in CSDB (view)
(E)-6,7,8-trihydroxy-3-(pent-3-en-1-yl)-1H-isochromen-1-one SMILES C/C=C/CCC1=CC2=C(C(O1)=O){8}C(O)={7}C(O){6}C(O)=C2 2 compound(s) in CSDB (view)
(R)-6,8-dihydroxy-3-((1E,3E)-penta-1,3-dien-1-yl)isochroman-1-one SMILES C/C=C/C=C/[C@H]1CC2=C{6}C(O)=C{8}C(O)=C2C(O1)=O 1 compound(s) in CSDB (view)
(R)-6,7,8-trihydroxy-3-((1E,3E)-penta-1,3-dien-1-yl)isochroman-1-one SMILES C/C=C/C=C/[C@H]1CC2=C{6}C(O)={7}C({8}C(O)=C2C(O1)=O)O 1 compound(s) in CSDB (view)
sporormielloside aglycon SMILES COC1={9}C(O)C2=C(C(C3=C(O2)C=C(C)C={14}C3O)=O){6}C(O)=C1 2 compound(s) in CSDB (view)
8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid SMILES O{10}C(C1=CC=CC(OC2=C3{8}C(O)=CC(C)=C2)=C1C3=O)=O 2 compound(s) in CSDB (view)
kolokoside B aglycon SMILES O{3}[C@H]1{2}[C@H](O)C[C@@]2(C)[C@](CC[C@@]3([H])C2=CC[C@]4(C)[C@]3(C)C{16}[C@@H](O)[C@@]([C@@H](C(C)C)CC5=O)(C)[C@]45[H])([H])C1(C)C 2 compound(s) in CSDB (view)
kolokoside C aglycon SMILES O{3}[C@H]1{2}[C@H](O)C[C@@]2(C)[C@](CC[C@@]3([H])C2=CC[C@]4(C)[C@]3(C)C{16}[C@@H](O)[C@](C)([C@@H](C(C)C)CC(O5)=O)[C@]45[H])([H])C1(C)C 2 compound(s) in CSDB (view)
kolokoside D aglycon SMILES O{3}[C@H]1{2}[C@H](O)C[C@@]2(C)[C@](CC[C@@]3([H])C2=CC[C@]4(C)[C@]3(C)C{16}[C@@H](O)[C@](C)([C@@H](C(C)C)COC5=O)[C@]45[H])([H])C1(C)C 2 compound(s) in CSDB (view)
(3S,4aR,5aS,6S,9R,9aR,11bR)-9-((1S)-1-(3-((2R)-4-hydroxy-3-methylbutan-2-yl)oxiran-2-yl)ethyl)-9a,11b-dimethyl-1,2,3,4,5a,6,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol SMILES CC({28}CO)[C@@H](C)C1OC1[C@@H](C)[C@H]6CC/C5=C/4{7}[C@H](O)[C@@H]2O[C@@]23C{3}[C@@H](O)CC[C@]3(C)C4CC[C@@]56C 1 compound(s) in CSDB (view)
(8R,9R,10S,13R,14S,16R,17R)-17-((R,E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one SMILES [H]{16}[C@@]4(O)C[C@@]3(C)[C@]2([H])C/C=C\1C(C)(C)C(=O)/{2}C(O)=C\[C@@]1([H])[C@]2(C)CC[C@]3(C)[C@@]4([H]){20}[C@@](C)(O)C(=O)/C=C/{25}C(C)(C)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES [H][C@@]4(O)C[C@@]3(C)[C@]2([H])C/C=C\1C(C)(C)C(=O)/C(O)=C\[C@@]1([H])[C@]2(C)CC[C@]3(C)[C@@]4([H])[C@@](C)(O)C(=O)/C=C/C(C)(C)O$
HS-toxin A aglycon SMILES O{13}[C@H]1CC(C)=C(C[C@@H](C({2}CO)=C)CC2)C2(C)C1 1 compound(s) in CSDB (view)
HS-toxin B aglycon SMILES O{13}[C@H]1CC([C@@](C[C@@H](C({2}CO)=C)CC2)([H])C2(C)C1)=C 1 compound(s) in CSDB (view)
HS-toxin C aglycon SMILES O{13}[C@H]1C=C(C)[C@@](C[C@@H](C({2}CO)=C)CC2)([H])C2(C)C1 1 compound(s) in CSDB (view)
alisol G SMILES O=C1CC[C@@]2(C)C(CC[C@@]3(C)C2{11}[C@@H](O)CC4=C([C@H](C)C{23}[C@H](O){24}[C@@H](O)C(C)=C)CC[C@]34C)C1(C)C 1 compound(s) in CSDB (view)
3-dihydroalisol A SMILES O{3}C1CC[C@@]2(C)C(CC[C@@]3(C)C2{11}[C@@H](O)CC4=C([C@H](C)C{23}[C@H](O){24}[C@@H](O){25}C(C)(O)C)CC[C@]34C)C1(C)C 1 compound(s) in CSDB (view)
alisol F SMILES O=C1CC[C@@]2(C)C(CC[C@@]3(C)C2{11}[C@@H](O)CC4=C([C@H](C)C[C@H](O5){24}[C@@H](O){25}C(C)(O)C)[C@@H]5C[C@]34C)C1(C)C 1 compound(s) in CSDB (view)
(8S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one SMILES O=C1CC[C@@]2(C)C(CC[C@@]3(C)C2{11}[C@@H](O)CC4=C([C@H](C)C{23}[C@H](O){24}[C@@H](O){25}C(O)(C)C)CC[C@]34C)C1(C)C 1 compound(s) in CSDB (view)
6,8-dihydroxy-3-(hydroxymethyl)-4,5-dimethylisochromen-1-one decarboxyhydroxycitrinone SMILES CC1={6}C(O)C={8}C(O)C2=C1C(C)=C({11}CO)OC2=O 2 compound(s) in CSDB (view)
elaeicolaside A aglycon SMILES C[C@@]12[C@](C{7}[C@H](O)C3=C[C@@](C)(C{16}CO)CC[C@@]32[H])([H])[C@](C)(OO)CCC1 2 compound(s) in CSDB (view)
exophilin A1 SMILES CCCCC{17}C(O)C{15}C(O)CC(=O)OC(CCCCC)C{9}C(O)CC(=O)OC(CCCCC)C{3}C(O)C{1}C(=O)O 2 compound(s) in CSDB (view)
exophilin B1 SMILES CCCCC{23}C(O)C{21}C(O)CC(=O)OC(CCCCC)C{15}C(O)CC(=O)OC(CCCCC)C{9}C(O)CC(=O)OC(CCCCC)CC{3}(O)C{1}C(=O)O 1 compound(s) in CSDB (view)
gabosine E SMILES O=C1C({7}CO)=C{4}[C@@H](O){3}[C@@H](O){2}[C@@H]1O 1 compound(s) in CSDB (view)
gigantol SMILES COC1={54}C(O)C=C(CCC2=C{5}C(O)=CC(OC)=C2)C=C1 1 compound(s) in CSDB (view)
nigakinone SMILES COC1={15}C(C(N2C3=CC=CC=C3C4=C2C1=NC=C4)=O)O 1 compound(s) in CSDB (view)
20S-18,20-epoxystrophanthidin SMILES O{14}[C@@]12[C@H](CC{5}[C@@]3(O)[C@]4(C=O)CC{3}[C@H](O)C3)[C@@H]4CC[C@@]15CO[C@]6(COC(C6)=O)[C@H]5CC2 1 compound(s) in CSDB (view)
3β-hydroxy-13-epimanool SMILES C=C1CC[C@]2([H])[C@@](CC{3}[C@H](O)C2(C)C)(C)[C@H]1CC{13}[C@@](C)(C=C)O 1 compound(s) in CSDB (view)
cleroda-3,14-dien-6S,13S-diol SMILES CC1=CCC[C@@]2([H])[C@](C)(CC{13}[C@@](C=C)(O)C)[C@@H](C)C{6}[C@H](O)[C@]12C 8 compound(s) in CSDB (view)
1,3,8-trihydroxy-6-methylanthracen-9(10H)-one emodinanthrone SMILES Cc3c{8}c(O)c2C(=O)c1{1}c(O)c{3}c(O)cc1{10}Cc2c3 2 compound(s) in CSDB (view)
27-deoxyacetylacteol SMILES C[C@@H]1C[C@]2(O[C@@H]3[C@H]1[C@@]4(C){12}[C@H](O)C[C@@]56C[C@@]57CC{3}[C@H](O)C(C)(C)[C@@H]7CC[C@H]6[C@]4(C)C3)[C@@H]8[C@@](CO2)(C)O8 2 compound(s) in CSDB (view)
4-(3-hydroxybut-1-yn-1-yl)-3,5,5-trimethylcyclohex-3-enol SMILES CC1(C)C(C#C{9}C(O)C)=C(C)C{3}C(O)C1 3 compound(s) in CSDB (view)
uhdenoside aglycon SMILES O={4}C(O)/C1=C/O{1}[C@@H](O)/C(=C\{2}CO)C1CC(=O)OCCc2cc{13}c(O)cc2 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)/C1=C/O[C@@H](O)/C(=C\CO)C1CC(=O)OCCc2ccc(O)cc2$
methyl(4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate ligustroside aglycon SMILES C/C=C/1[C@H]{1}(O)O/C=C(C(=O)OC)\C1CC(=O)OCCc2ccc{13}(O)cc2 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C=C/1[C@H](O)O/C=C(C(=O)OC)\C1CC(=O)OCCc2ccc(O)cc2$
10-hydroxy-oleuropein aglycon SMILES COC(=O)/C1=C/O{1}[C@@H](O)/C(=C\{2}CO)C1CC(=O)OCCc2cc{13}c(O){12}c(O)c2 8 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC(=O)/C1=C/O[C@@H](O)/C(=C\CO)C1CC(=O)OCCc2ccc(O)c(O)c2$
5-hydroxy-2-(3-hydroxybutyl)-1,3,3-trimethylcyclohexene SMILES C/C1=C(CC{53}C(C)O)/C(C)(C)C{5}C(O)C1 5 compound(s) in CSDB (view)
7R-1(10),4-germacradiene-2R,6S,11-triol SMILES CC1=C{2}[C@H](O)C/C(C)=C/{6}[C@H](O)[C@H]({11}C(C)(C)O)CC1 1 compound(s) in CSDB (view)
(+)-simulanol SMILES COc3cc([C@H]2Oc1c(OC)cc(/C=C/{11}CO)cc1[C@@H]2{8}CO)cc(OC){54}c3O 5 compound(s) in CSDB (view)
5-methoxy-trans-dihydrodehydrodiconiferyl alcohol SMILES COc3cc([C@H]2Oc1c(OC)cc(CC{11}CO)cc1[C@@H]2{8}CO)cc(OC){54}c3O 2 compound(s) in CSDB (view)
verbascosaponin aglycon SMILES CC6(C)CCC45CC[C@@]3(C)[C@]2(C)CCC1[C@@](C)({28}CO){3}[C@@H](O)CC[C@]1(C)C2/C=C\C3(OC4)C5C6 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC6(C)CCC45CC[C@@]3(C)[C@]2(C)CCC1[C@@](C)(CO)[C@@H](O)CC[C@]1(C)C2/C=C\C3(OC4)C5C6$
1,8-dihydroxy-11-methylanthron SMILES Cc3c{1}c(O)c2C(=O)c1{8}c(O)cccc1{10}Cc2c3 2 compound(s) in CSDB (view)
gaudichaudioside A aglycone SMILES C/C(=C\{15}CO)CC/C1=C(C=O)/C{6}[C@H](O)C2[C@@](C)({16}CO)CCC[C@]12C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\CO)CC/C1=C(C=O)/C[C@H](O)C2[C@@](C)(CO)CCC[C@]12C$
gaudichaudioside B aglycone SMILES C/C(=C\{15}CO)CC/C1=C(CO)/C{6}[C@H](O)C2[C@@](C)({16}CO)CCC[C@]12C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\CO)CC/C1=C(CO)/C[C@H](O)C2[C@@](C)(CO)CCC[C@]12C$
gaudichaudioside C aglycone SMILES C/C(=C\{15}CO)CC/C1=C(CO)/C{6}[C@H](O)C2[C@@](C)({16}CO)C[C@H](O)C[C@]12C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\CO)CC/C1=C(CO)/C[C@H](O)C2[C@@](C)(CO)C[C@H](O)C[C@]12C$
gaudichaudioside E aglycone SMILES C/C(=C\{15}CO)CCC1{8}[C@](C)(O)C{6}[C@H](O)C2[C@@](C)(C)C{3}[C@H](O)C[C@]12C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\CO)CCC1[C@](C)(O)C[C@H](O)C2[C@@](C)(C)C[C@H](O)C[C@]12C$
gaudichaudioside D aglycone SMILES C/C(=C\{15}CO)CCC1{8}[C@](C)(O)C{6}[C@H](O)C2[C@@](C)({16}CO)CCC[C@]12C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\CO)CCC1[C@](C)(O)C[C@H](O)C2[C@@](C)(CO)CCC[C@]12C$
calcitriol SMILES C[C@H](CCC{22}C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C{1}[C@H](C{3}[C@@H](C3=C)O)O)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C$
colletobredin aglycon SMILES CCCCC[C@H]1CC2=C({5}C(O)=C({7}C(O)=C2CO1)C)C 4 compound(s) in CSDB (view)
cladosporin SMILES C[C@H]1CCC[C@@H](O1)C[C@H]2CC3=C(C(O2)=O){8}C(O)=C{6}C(O)=C3 1 compound(s) in CSDB (view)
coprogen SMILES O{11}CC/C(C)=C/C(N(CC/C=C/C(OCC/C(C)=C/C(N(CCC[C@@H]1NC([C@H](CCCN(C(/C=C(C{22}CO)\C)=O)O)NC1=O)=O)O)=O)=O)O)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OCC/C(C)=C/C(N(CC/C=C/C(OCC/C(C)=C/C(N(CCC[C@@H]1NC([C@H](CCCN(C(/C=C(CCO)\C)=O)O)NC1=O)=O)O)=O)=O)O)=O$
cordyol C SMILES CC1=CC(OC2={2}C(O){3}C(O)=CC(C)=C2)=C{53}C(O)=C1 1 compound(s) in CSDB (view)
curcumin SMILES COC1=CC(/C=C/C(CC(/C=C/C2=CC={8}C(C(OC)=C2)O)=O)=O)=CC={58}C1O 4 compound(s) in CSDB (view)
dehydrodiconiferyl alcohol SMILES COC1=CC(/C=C/{59}CO)=CC2=C1OC(C3=CC(OC)={54}C(O)C=C3)C2{9}CO 2 compound(s) in CSDB (view)
desmethylasporyergosterol SMILES C/C(/C=C/C(C)C(C)C)=C/4{16}[C@H](O)C/C3=C/2\C=C/[C@H]1C{3}[C@@H](O)CC[C@]1(C)[C@H]2CC[C@@]34C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(/C=C/C(C)C(C)C)=C/4[C@H](O)C/C3=C/2\C=C/[C@H]1C[C@@H](O)CC[C@]1(C)[C@H]2CC[C@@]34C$
desmethylasporyergosteron SMILES C/C(/C=C/C(C)C(C)C)=C/4{16}[C@H](O)C/C3=C/2\C=C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC[C@@]34C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(/C=C/C(C)C(C)C)=C/4[C@H](O)C/C3=C/2\C=C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC[C@@]34C$
djalonensone SMILES COC1=CC(OC(C2=C3C={54}C(O)C={52}C2O)=O)=C3C(C)=C1 2 compound(s) in CSDB (view)
ent-16β-hydroxybeyeran-19-oic acid SMILES CC1({19}C(O)=O)CCC[C@]2(C)[C@]1([H])CC[C@@]3(C{16}[C@@]4([H])O)[C@@]2([H])CC[C@@]4(C)C3 1 compound(s) in CSDB (view)
entacapone SMILES CCN(C(/C(C#N)=C/C1=CC(N(=O)=O)={2}C(O){3}C(O)=C1)=O)CC 1 compound(s) in CSDB (view)
eurobenzophenone C SMILES O{56}C1=CC(C)=C{52}C(O)=C1C(C2={5}C(O)C={3}C(O)C=C2{7}C(O)=O)=O 1 compound(s) in CSDB (view)
fusarenon X SMILES CC(=O)O[C@@H]2{3}[C@@H](O)[C@H]3O[C@@H]1/C=C(C)\C(=O){7}[C@@H](O)[C@]1({15}CO)[C@]2(C)[C@]34CO4 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(=O)O[C@@H]2[C@@H](O)[C@H]3O[C@@H]1/C=C(C)\C(=O)[C@@H](O)[C@]1(CO)[C@]2(C)[C@]34CO4$
myrothecoside aglycon SMILES [H][C@]12/C=C\[C@@H](C)[C@@H](/C=C/{5}[C@H](O)C{3}[C@@H](O)CC(N)=O)[C@@]1([H])[C@@H](C)C[C@H](C)C2 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES [H][C@]12/C=C\[C@@H](C)[C@@H](/C=C/[C@H](O)C[C@@H](O)CC(N)=O)[C@@]1([H])[C@@H](C)C[C@H](C)C2$
1,6-dihydroxy-8-methoxy-3-methylanthracene-9,10-dione questin SMILES COC1=C{3}C(O)=CC(C(C2=C3{8}C(O)=CC(C)=C2)=O)=C1C3=O 3 compound(s) in CSDB (view)
1,6-dihydroxy-3-(hydroxymethyl)-8-methoxyanthracene-9,10-dione questinol SMILES COC1=C{3}C(O)=CC(C(C2=C3{8}C(O)=CC({11}CO)=C2)=O)=C1C3=O 1 compound(s) in CSDB (view)
scillarenin A SMILES O{3}[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=COC(C=C5)=O)CC{14}[C@]4(O)[C@@H]3CCC2=C1 2 compound(s) in CSDB (view)
1',2-binaphthalen-4-one-2',3-dimethyl-1,8'-epoxy-1,4',5,5',8,8'-hexaol SMILES C/C3=C/1c4c(C)cc(O)c5{55}c(O)ccc(OC1(O)c2{8}c(O)ccc(O)c2C3=O)c45 2 compound(s) in CSDB (view)
5,9,10-trimethyl-8-oxo-9-tetradecene-5-yl-3,3,5-trimethylcyclohexanone SMILES C/C(CC{15}C(C)O)=C(C)/C(=O)CCC(C)(CC{19}C(C)O)C1C(C)CC(=O)CC1(C)C 1 compound(s) in CSDB (view)
hannokinol SMILES O{104}c2ccc(CC{5}[C@H](O){3}C[C@@H](O)CCc1cc{54}c(O)cc1)cc2 1 compound(s) in CSDB (view)
meso-hannokinol SMILES O{104}c2ccc(CC{5}[C@H](O){3}C[C@H](O)CCc1cc{54}c(O)cc1)cc2 1 compound(s) in CSDB (view)
centrolobol SMILES O{54}c2ccc(CCCC{5}[C@@H](O)CCc1cc{104}c(O)cc1)cc2 1 compound(s) in CSDB (view)
(+)-cis-khellactone SMILES CC3(C)Oc2ccc1ccc(=O)oc1c2{54}[C@@H](O){53}[C@H]3O 1 compound(s) in CSDB (view)
jatamansinol SMILES CC3(C)Oc2ccc1ccc(=O)oc1c2C{53}[C@H]3O 1 compound(s) in CSDB (view)
2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)benzofuran-5-propanoic acid SMILES C{12}C(C)(O)C2Cc1c(ccc(CC{11}C(=O)O){4}c1O)O2 1 compound(s) in CSDB (view)
vavain SMILES COc3c{5}c(O)c2c(=O)c(c1c{53}c(O)c(OC)c(OC)c1)coc2c3 2 compound(s) in CSDB (view)
eschweilenol C aglycon SMILES O=C1Cc4{53}c(O){54}c(O)cc3C(=O)Cc2{3}c(O){4}c(O)cc1c2c34 3 compound(s) in CSDB (view)
maesopsin SMILES O=C2c1{4}c(O)c{6}c(O)cc1O{2}C2(O)Cc3cc{54}c(O)cc3 2 compound(s) in CSDB (view)
(-)-dehydrodiconiferyl alcohol SMILES COc3cc([C@@H]2Oc1c(OC)cc(/C=C/{11}CO)cc1[C@H]2{12}CO)cc{54}c3O 3 compound(s) in CSDB (view)
(+)-dehydrodiconiferyl alcohol SMILES COc3cc([C@H]2Oc1c(OC)cc(/C=C/{11}CO)cc1[C@@H]2{8}CO)cc{54}c3O 2 compound(s) in CSDB (view)
9-epiblumenol B = icariside B5 aglycone SMILES C/C1=C/C(=O)CC(C)(C){6}[C@@]1(O)CC{9}[C@H](C)O 1 compound(s) in CSDB (view)
epipinoresinol SMILES COc4ccc(C1OCC2C1COC2c3cc{54}c(O)c(OC)c3)c{103}c4O 1 compound(s) in CSDB (view)
1,5,6-trihydroxyxanthone SMILES O=c2c1cc{6}c(O){5}c(O)c1oc3ccc{1}c(O)c23 1 compound(s) in CSDB (view)
6,8-dihydroxy-aristolic acid II SMILES O={11}C(O)c2cc1OCOc1c4c2ccc3{8}c(O)c{6}c(O)cc34 1 compound(s) in CSDB (view)
icariside B1 aglycone = citroside A/B aglycon SMILES CC(=O)C=C=C1C(C)(C)C{4}[C@H](O)C{2}[C@@]1(C)O 5 compound(s) in CSDB (view) ( citroside A: =[C@]=, citroside B: =[C@@]=)
blumenol SMILES C/C1=C/C(=O)CC(C)(C)C1CC{9}C(C)O 10 compound(s) in CSDB (view)
10-amino-1-carboxy-3,4-dihydroxyphenanthrene lactam SMILES O=c2{11}[nH]c3cc1ccccc1c4{4}c(O){3}c(O)cc2c34 2 compound(s) in CSDB (view)
10-amino-1-carboxy-3,4,6-trihydroxyphenanthrene lactam SMILES O=c2{11}[nH]c3cc1cc{6}c(O)cc1c4{4}c(O){3}c(O)cc2c34 2 compound(s) in CSDB (view) ( есть подозрение, что в статье названия агликонов указаны неверно)
ptaquilosin SMILES C/C2=C/{7}[C@]1(O)C[C@@H](C)C(=O)[C@@H]1{4}[C@](C)(O)C23CC3 1 compound(s) in CSDB (view)
6-methylptaquilosin SMILES C/C2=C/{7}[C@]1(O)C[C@@](C)(C)C(=O)[C@@H]1{4}[C@](C)(O)C23CC3 2 compound(s) in CSDB (view)
rel-5-deoxy-(2R,3R,11S)-clitoriacetal SMILES COc4ccc3C(=O){3}[C@@]2(O)c1cc(OC)c(OC)cc1O{11}[C@@H](O)C2Oc3c4 3 compound(s) in CSDB (view)
5,5-trans-fused cyclic lactone euphane triterpene SMILES C/C(C)=C\C(=O)C[C@H]5C(=O)OC4C[C@]3({27}CO)/C2=C/CC1[C@](C)(CC{3}[C@@H](O)[C@@]1(C){30}C(=O)O)C2C{12}[C@H](O)[C@@]3(C)C45 5 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\C(=O)C[C@H]5C(=O)OC4C[C@]3(CO)/C2=C/CC1[C@](C)(CC[C@@H](O)[C@@]1(C)C(=O)O)C2C[C@H](O)[C@@]3(C)C45$
vespertiline SMILES C[C@@H]4C(=O)OC5CC3C2C/C=C\1C{3}C(O)CC[C@]1(C)C2CC[C@]3(C)C45 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H]4C(=O)OC5CC3C2C/C=C\1CC(O)CC[C@]1(C)C2CC[C@]3(C)C45$
22-hydroxy-16-deoxoeucosterol SMILES CCC(=O)[C@H]5O[C@@]4(CC[C@@]3(C)C2CCC1[C@@](C)({29}CO){3}[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)[C@H](C){22}[C@H]5O 1 compound(s) in CSDB (view)
20-hydroxyecdysone SMILES C{23}C(C)(O)CC{20}[C@@H](O){18}[C@](C)(O)[C@H]3CC{14}[C@@]4(O)/C2=C/C(=O)C1C{3}[C@@H](O){2}[C@@H](O)C[C@]1(C)C2CC[C@]34C 3 compound(s) in CSDB (view)
yayoisaponin B aglycon SMILES C[C@@H]1CCC6(OC1)OC5CC4C3C{6}[C@@H](O)C2C{3}[C@@H](O)C(=O)C[C@]2(C)C3CC[C@]4(C)C5[C@@H]6C 1 compound(s) in CSDB (view)
1,2,5-trihydroxy-6-hydroxymethylanthraquinone SMILES O=C(C1=C2{1}C(O)={2}C(O)C=C1)C3={5}C(O)C({11}CO)=CC=C3C2=O 1 compound(s) in CSDB (view)
1,2-dihydroxyanthraquinone alizarin SMILES O=C(C1=C2{1}C(O)={2}C(O)C=C1)C3=CC=CC=C3C2=O 1 compound(s) in CSDB (view)
1,4,5,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)anthracen-9(10H)-one 4-demethoxyumbilicaxanthone B SMILES C/C(C)=C\CC1={1}C(O)C2=C(CC3=C(C2=O)C(C/C=C(C)\C)={7}C(O)C={5}C3O){4}C(O)=C1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C(O)C2=C(CC3=C(C2=O)C(C/C=C(C)\C)=C(O)C=C3O)C(O)=C1$
1,4,5,7-tetrahydroxy-2-(3-methylbut-2-en-1-yl)anthracen-9(10H)-one 4-demethoxyumbilicaxanthone A SMILES C/C(C)=C\CC1={1}C(O)C2=C(CC3=C(C2=O)C={7}C(O)C={5}C3O){4}C(O)=C1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C(O)C2=C(CC3=C(C2=O)C=C(O)C=C3O)C(O)=C1$
15-((tert-butyldiphenylsilyl)oxy)pentadecanoic acid SMILES O={1}C(O)CCCCCCCCCCCCCCO[Si](C(C)(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 1 compound(s) in CSDB (view)
18R-hydroxydihydroalloprotolichesterinic acid SMILES C{18}[C@@H](O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@H](C)[C@@H]1{21}C(=O)O 4 compound(s) in CSDB (view)
18S-hydroxyneodihydroprotolichesterinic acid SMILES C{18}[C@H](O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@H](C)[C@H]1{21}C(=O)O 4 compound(s) in CSDB (view)
18S-hydroxydihydroprotolichesterinic acid SMILES C{18}[C@H](O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@@H](C)[C@H]1{21}C(=O)O 3 compound(s) in CSDB (view)
2,4-dihydroxy-6-pentadecanoylbenzoic acid SMILES CCCCCCCCCCCCCCCC1=C({7}C(O)=O){2}C(O)=C{4}C(O)=C1 8 compound(s) in CSDB (view)
1,5,7-trimethoxyphenanthrene-2,6-diol denthyrsinin SMILES COC1={6}C(O)C(OC)=C2C(C=CC3=C2C=C{2}C(O)=C3OC)=C1 1 compound(s) in CSDB (view)
hirtusneanine SMILES CC(C=C1O[C@]2(C3={58}C(C[C@H]({55}[C@H]2O)C)O){62}CO)=C(C4=C(C=C5O[C@@]6(C(C(C5={1}C4O)=O)={8}C([C@@H]([C@H]({5}[C@@H]6O)C)C)O)C(OC)=O)C){51}C(O)=C1C3=O 1 compound(s) in CSDB (view)
virescenoside Z5 aglycon SMILES C[C@@]1(C(CC=C2C1CC[C@@]({20}[C@@H](O)CCl)(C)C2)[C@@]3(C){19}CO)CCC3=O 2 compound(s) in CSDB (view)
1α-hydroxy-ent-13-epi-manoyl oxide SMILES C=C[C@@]3(C)CC[C@@H]2[C@](C)(CC[C@@H]1C(C)(C)CC{1}[C@H](O)[C@]12C)O3 2 compound(s) in CSDB (view)
2',3-dihydroxy-5'-methylchalcone SMILES CC1=CC(C(/C=C/C2=C{3}C(O)=CC=C2)=O)={52}C(O)C=C1 1 compound(s) in CSDB (view)
2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione SMILES O{4}C1=CC(C(OC2={53}C(O){54}C(O)=C3)=O)=C(C2=C3C(O4)=O)C4={3}C1O 3 compound(s) in CSDB (view)
2,4-dihydroxybenzophenone SMILES O=C(C1={2}C(O)C={4}C(O)C=C1)C2=CC=CC=C2 3 compound(s) in CSDB (view)
gliocladinin D aglycon SMILES COC1=CC=C(C2={52}C(O)C(OC)=C(C3=CC=C(OC)C=C3){55}C(O)=C2OC)C=C1 1 compound(s) in CSDB (view)
2,6-dihydroxy-4-(3-hydroxy-5-methylphenoxy)benzoic acid SMILES CC1=C{53}C(O)=CC(OC2=C{6}C(O)=C({2}C(O)=C2){7}C(O)=O)=C1 1 compound(s) in CSDB (view)
2-(hept-1-enyl)-3-hydroxymethyl-4-hydroxyphenol pestaloside aglycon SMILES CCCCC/C=C/C1={1}C(C=C{4}C(O)=C1{7}CO)O 3 compound(s) in CSDB (view)
glyscavin A aglycon SMILES O{1}C1=CC={4}C(O)C(/C=C/C=C/C)=C1{7}CO 2 compound(s) in CSDB (view)
glyscavin B aglycon SMILES O{1}C1=CC={4}C(O)C(/C=C/CCC)=C1{7}CO 2 compound(s) in CSDB (view)
glyscavin C SMILES O{1}C1=CC={4}C(O)C(CCCCC)=C1{7}CO 2 compound(s) in CSDB (view)
9-dehydroxyeurotinone SMILES O=C1C2=C(CC(C={4}C(C={2}C3O)O)=C3O1)C=C(C)C={11}C2O 2 compound(s) in CSDB (view)
2-acetyl-3-methyl-1,6,8-trihydroxynaphthalene 6-hydroxymusizin SMILES O{1}C1=C(C(C)=O)C(C)=CC2=C1{8}C(O)=C{6}C(O)=C2 1 compound(s) in CSDB (view)
2-butyl-5-pentyl-resorcinol stemphol SMILES CCCCCC1=C{1}C(O)=C({3}C(O)={4}C1)CCCC 5 compound(s) in CSDB (view)
2-heptyl-4,6-dihydroxybenzoic acid SMILES O{6}C1={5}C{4}C(O)=CC(CCCCCCC)=C1{7}C(O)=O 4 compound(s) in CSDB (view)
4-(3-hydroxy-5-methylphenoxy)-5-methylbenzene-1,3-diol SMILES O{53}C1=CC(C)=C(OC2=C{2}C(O)=CC(C)=C2){4}C(O)=C1 4 compound(s) in CSDB (view)
2-phenyl-4-hydroxy-6-methylchromane SMILES CC1=CC2=C(OC(C3=CC=CC=C3)C{4}C2O)C=C1 1 compound(s) in CSDB (view)
3',4',5'-tridemethylpodophyllotoxin SMILES O=C1OC[C@@H]2{9}[C@H](C3=C([C@H]([C@@H]12)C4=C{53}C(O)={54}C(O){55}C(O)=C4)C=C5OCOC5=C3)O 4 compound(s) in CSDB (view)
3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol batatasin III SMILES O{54}C1=CC=C(CCC2=C{5}C(O)=CC(OC)=C2)C=C1 1 compound(s) in CSDB (view)
3-heptyl-5-hydroxyphenyl 6-heptyl-2,6-dihydroxybenzoate SMILES O{53}C1=CC(OC(C2=C(CCCCCCC)C={4}C(O)C={2}C2O)=O)=CC(CCCCCCC)=C1 3 compound(s) in CSDB (view)
akanthopyrone A aglycon SMILES CCCCCCCCCC{7}[C@@H](C1=CC(OC)=C(C(O1)=O){18}CO)O 2 compound(s) in CSDB (view)
akanthopyrone B aglycon SMILES O{17}CCCCCCCCCC{7}[C@@H](C1=CC(OC)=C(C(O1)=O){18}CO)O 2 compound(s) in CSDB (view)
akanthopyrone C aglycon SMILES O{17}CCCCCCCCCC{7}[C@@H](C1=CC(OC)=C(C(O1)=O)C)O 2 compound(s) in CSDB (view)
akanthopyrone D aglycon SMILES CCCCCCCC{7}[C@@H](C1=CC(OC)=C(C(O1)=O){16}CO)O 2 compound(s) in CSDB (view)
caralasigenin SMILES C{20}[C@@H](O)[C@H]4C/C=C\3C2CCC1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@@]34C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H](O)[C@H]4C/C=C\3C2CCC1C[C@@H](O)CC[C@]1(C)C2CC[C@@]34C$
tubocaposide B aglycon SMILES C{25}[C@]1(O)C(=O)OC2C[C@@]1(C)CC2C6CCC5C4C/C=C\3C{3}[C@@H](O)C{1}[C@@H](O)[C@]3(C)C4CC[C@@]56C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]1(O)C(=O)OC2C[C@@]1(C)CC2C6CCC5C4C/C=C\3C[C@@H](O)C[C@@H](O)[C@]3(C)C4CC[C@@]56C$
petunioside A aglycon SMILES CSC(=O){30}C(O)C67O[C@@H]([C@@H](C)C1CCC2C5C(CC[C@]12C)[C@@]3(C)CC{3}[C@H](O)C{5}[C@]3(O)[C@@H]4O[C@H]45)C[C@@](C)(O6)C(C)(C)O7 1 compound(s) in CSDB (view)
abutiloside A aglycon SMILES CC({27}CN)CCC(=O)[C@@H](C)C4{16}[C@H](O)CC3C2CCC1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@@]34C 1 compound(s) in CSDB (view)
bacopasaponin aglycon SMILES C/C(C)=C\[C@H]6C{18}[C@](C)(O)C4C3CCC2[C@@]1(C)CC{3}[C@H](O)CC1CC[C@@]2(C)[C@]35CCC4(OC5)O6 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\[C@H]6C[C@](C)(O)C4C3CCC2[C@@]1(C)CC[C@H](O)CC1CC[C@@]2(C)[C@]35CCC4(OC5)O6$
23-hydroxy-demissidine SMILES C[C@H]6C{23}[C@H](O)C5[C@@H](C)C4C(CC3C2CCC1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)N5C6 1 compound(s) in CSDB (view)
euphorbin A aglycon 1 SMILES O=C1C=C([C@@](C(O)([C@@]1(O)O2)O)([H])C3=C2C(O)=C(C=C3{7}C(O)=O)O){57}C(O)=O 4 compound(s) in CSDB (view)
petunioside C aglycon SMILES C[C@H]({21}[C@H](O)C{23}[C@@](C)(O){25}C(C)(C)O)C1CCC2C5/C(=C\C[C@]12C)C(C)C3(CCC(=O)O3)[C@H]4O[C@@H]45 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]([C@H](O)C[C@@](C)(O)C(C)(C)O)C1CCC2C5/C(=C\C[C@]12C)C(C)C3(CCC(=O)O3)[C@H]4O[C@@H]45$
zizyphoiside A aglycon SMILES C=C(C)C(C)CC6O[C@]15C[C@]4(CO1)C(CCC3[C@@]2(C)CC{3}[C@H](O)[C@](C)(C)C2CC[C@]34C)C5[C@@]6(C)O 1 compound(s) in CSDB (view)
vernoniol B1 SMILES CC(C)[C@@]6([C@H]5OC(=O)[C@H]([C@@H]4CC[C@H]3/C/2=C/C[C@H]1C{3}[C@@H](O)CC[C@]1(C)C2=C\C[C@@]34C){21}[C@H]5O)O[C@H]6C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)[C@@]6([C@H]5OC(=O)[C@H]([C@@H]4CC[C@H]3/C/2=C/C[C@H]1C[C@@H](O)CC[C@]1(C)C2=C\C[C@@]34C)[C@H]5O)O[C@H]6C$
vernoniol B2 SMILES CC(C)[C@]([C@@]1(C)OC)(O)[C@@H]2[C@H](O1)[C@@H]([C@@H]3{16}[C@H](O)C[C@@]4([H])C5=CC[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)C5=CC[C@]34C)[C@@H](O2)O 1 compound(s) in CSDB (view)
11,13-dihydro-13-methoxy-8-epidesacylcynaropicrin SMILES C=C1C{8}[C@@H](O)[C@@H]2[C@H](OC([C@H]2COC)=O)[C@@H]3[C@H]1C{3}[C@H](O)C3=C 1 compound(s) in CSDB (view)
3,4-dihydroxy-6-(3',4'-dihydroxy-E-styryl)-2-pyron SMILES O=C1{3}C(O)={4}C(O)C=C(/C=C/C2=CC={54}C(O){53}C(O)=C2)O1 1 compound(s) in CSDB (view)
3,4-dihydroxy-6-(4'-hydroxy-E-styryl)-2-pyron SMILES O=C1{3}C(O)={4}C(O)C=C(/C=C/C2=CC={54}C(O)C=C2)O1 1 compound(s) in CSDB (view)
3,4-hydroxy-6-(3'-hydroxy-4'-methoxy-E-styryl)-2-pyron SMILES O=C1{3}C(O)={4}C(O)C=C(/C=C/C2=CC=C{53}C(O)=C2)O1 1 compound(s) in CSDB (view)
3β,8β-dihydroxy-13-methoxyguaia-4(15),10(14)-dien-1α,5α,6β,11β-H-12,6-olide SMILES C=C(C{8}[C@@H](O)C1[C@@H]2OC([C@H]1COC)=O)[C@@]3([H])[C@]2([H])C({3}[C@@H](O)C3)=C 1 compound(s) in CSDB (view)
16α,17-dihydroxy-16,17-dihydrogibberellin A7 SMILES C[C@@]12[C@@H](O)C=C[C@]3(OC2=O)[C@@H]1[C@H](C(O)=O)[C@]45[C@H]3CC[C@@H]({16}[C@@](C5)(O){17}CO)C4 1 compound(s) in CSDB (view)
(Z)-1-mercapto-2-(1-methoxy-1H-indol-3-yl)ethylidene-amino sulfate SMILES {51}S/C(CC1=CN(OC)C2=C1C=CC=C2)=N\OS(=O)([O-])=O 1 compound(s) in CSDB (view) (C-S-linked)	$Subst // Subst = SMILES S/C(CC1=CN(OC)C2=C1C=CC=C2)=N\OS(=O)([O-])=O$
(Z)-1-mercapto-4-(methylsulfinyl)butylidene-amino sulfate SMILES CS(CCC/C({51}S)=N/OS(=O)([O-])=O)=O 1 compound(s) in CSDB (view) (C-S-linked)
(Z)-1-mercapto-5-(methylthio)pentylidene-amino sulfate SMILES CSCCCC/C({51}S)=N/OS(=O)([O-])=O 1 compound(s) in CSDB (view) (C-S-linked)
(Z)-1-mercapto-9-(methylsulfinyl)nonylidene-amino sulfate SMILES CS(CCCCCCCC/C({51}S)=N/OS(=O)([O-])=O)=O 1 compound(s) in CSDB (view) (C-S-linked)
(Z)-2-(1H-indol-3-yl)-1-mercaptoethylidene-amino sulfate SMILES {51}S/C(CC1=CNC2=C1C=CC=C2)=N\OS(=O)([O-])=O (C-S-linked)	$Subst // Subst = SMILES S/C(CC1=CNC2=C1C=CC=C2)=N\OS(=O)([O-])=O$
3-methylindolyl glucosinolate aglycon SMILES O=S(O/N=C({51}S)/CC1=CNC2=CC=CC=C21)(O)=O 2 compound(s) in CSDB (view) (C-S-linked)
3-methylindolyl glucosinolate aglycon 2 SMILES {51}S/C(C(N1)=C(C)C2=C1C=CC=C2)=N\OS(=O)([O-])=O 1 compound(s) in CSDB (view) (C-S-linked)	$Subst // Subst = SMILES S/C(C(N1)=C(C)C2=C1C=CC=C2)=N\OS(=O)([O-])=O$
α-vinyl-1,2,3,4,4a,7,8,8a-octahydro-α,1,2,4a,5-pentamethyl-1-naphthalenepropanol SMILES C[C@]12C(C)=CCCC1[C@@](C)(CC{11}C(C=C)(O)C)[C@H](C)C{4}[C@@H]2O 2 compound(s) in CSDB (view)
icariside E1 aglycon SMILES OC[C@H](OC1=C(C=C(C=C1O)CC{9}CO)OC)[C@@H](C2=CC=C(C(OC)=C2)O)O 1 compound(s) in CSDB (view)
icariside E2 aglycon SMILES OC[C@@H](OC1=C(C=C(C=C1O)CC{9}CO)OC)[C@@H](C2=CC=C(C(OC)=C2)O)O 1 compound(s) in CSDB (view)
lignan 8 SMILES OCC(OC1=C(C=C(C=C1)CC{9}CO)O)[C@@H](C2=CC=C(C(OC)=C2)O)O 1 compound(s) in CSDB (view)
2-methoxy-4-[(1R,2S)-1,3-dihydroxy-2-[2-methoxy-4-(3-hydroxypropyl)phenoxy]propyl]phenol SMILES OC[C@H](OC1=C(C=C(C=C1)CC{9}CO)OC)[C@@H](C2=CC=C(C(OC)=C2)O)O 2 compound(s) in CSDB (view)
(7R,7R)-4,7,9,9'-tetrahydroxy-3,3'-dimethoxy-8-O-4'-neolignan SMILES OC[C@@H](OC1=C(C=C(C=C1)CC{9}CO)OC)[C@@H](C2=CC=C(C(OC)=C2)O)O 1 compound(s) in CSDB (view)
2,3,4,5,6-pentahydroxy-9,10-dihydrophenanthrene SMILES O{2}C1={3}C(O){4}C(O)=C(C2={5}C(O){6}C(O)=CC=C2CC3)C3=C1 1 compound(s) in CSDB (view)
1',2'-diphenylethane-3,4,5,11,12-pentol SMILES O{3}C1={4}C(O){5}C(O)=CC(CCC2=CC={12}C(O){11}C(O)=C2)=C1 1 compound(s) in CSDB (view)
icariside E3 aglycon SMILES OCCCC1=CC(OC)={4}C(O)C(C(CO)CC2=CC=C(O)C(OC)=C2)=C1 1 compound(s) in CSDB (view)
icariside F1 aglycon SMILES OCC1=CC(C/C=C(C)/C)={4}C(O)C=C1 1 compound(s) in CSDB (view)
8-desoxy-11α-methyl-lactucin SMILES [H][C@@]12C(C(C=C1{15}CO)=O)=C(CC[C@@H]3[C@@H]2OC([C@H]3C)=O)C 1 compound(s) in CSDB (view)
3-hydroxy-germacra-1(10)-en-6,12-olide SMILES C/C1=C\C{3}[C@H](O)/C(C)=C/[C@H]([C@H]([C@@]2(C)[H])CC1)OC2=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C1=C\C[C@H](O)/C(C)=C/[C@H]([C@H]([C@@]2(C)[H])CC1)OC2=O$
germacranolide derivative 2 SMILES C/C1=C\CC/C({15}CO)=C/[C@H]([C@H](C2=C)CC1)OC2=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C1=C\CC/C(CO)=C/[C@H]([C@H](C2=C)CC1)OC2=O$
15-hydroxygermacra-1(10),4,11(13)-trien-(l2,6):(14,8)-diolide SMILES O=C(C1=C)O[C@@H]([C@H]1[C@H](C/C2=C\CC3)OC2=O)/C=C3\{15}CO 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(C1=C)O[C@@H]([C@H]1[C@H](C/C2=C\CC3)OC2=O)/C=C3\CO$
indole-3-butyric acid hormodin SMILES O={13}C(O)CCCC1=CNC2=C1C=CC=C2 3 compound(s) in CSDB (view)
2β,23-dihydroxy-acacic alcohol SMILES C[C@]12C{2}[C@H](O){3}[C@H](O)[C@]({23}CO)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)C{16}[C@@H](O)[C@]5({28}CO)[C@H]4CC(C)(C){21}[C@@H](O)C5 1 compound(s) in CSDB (view)
16-epi-acacic acid 21,28-lactone SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)[C@@](O6)([H])C[C@@](C6=O)5{16}[C@@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] 4 compound(s) in CSDB (view)
(4R)-3-(2,4-dihydroxyphenyl)-4-(4-hydroxybenzyl)but-2-en-4-olide SMILES O{54}C1=CC=C(C=C1)C[C@@H]2C(C3=CC={104}C(O)C={102}C3O)=CC(O2)=O 1 compound(s) in CSDB (view)
3-(3-hydroxybutyl)-2,4,4-trimethylcyclohex-2-en-1-one 9-hydroxy-5-megastigmen-4-one SMILES O=C1C(C)=C(CC{9}C(O)C)C(C)(C)CC1 1 compound(s) in CSDB (view)
maesasaponin core aglycon SMILES C[C@@]6(C)CC4[C@@]35CCC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@@]2(C)[C@]3(C)C{16}[C@@H](O)[C@@]4({28}[C@@H](O)O5){22}[C@@H](O){21}[C@@H]6O 6 compound(s) in CSDB (view)
atractyligenin SMILES C=C4[C@@H]3CC[C@H]2[C@]1(C)C{7}[C@H](O)C[C@@H]({19}C(=O)O)[C@H]1CC[C@]2(C3){15}[C@H]4O 2 compound(s) in CSDB (view)
carboxyatractyligenin SMILES C=C4[C@@H]3CC[C@H]2[C@]1(C)C{7}[C@H](O)C[C@@]({19}C(=O)O)({20}C(=O)O)[C@H]1CC[C@]2(C3){15}[C@H]4O 1 compound(s) in CSDB (view)
ilexgenin B SMILES C[C@H]5CC[C@]4({28}C(=O)O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@]23C)C4{19}[C@]5(C)O 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]5CC[C@]4(C(=O)O)CC[C@]3(C)/C(=C\CC2[C@@]1(C)CC[C@H](O)[C@](C)(C)C1CC[C@]23C)C4[C@]5(C)O$
armillarigenin SMILES C[C@@]5(C)CC4/C3=C/CC2[C@@]1(C)CC{3}[C@H](O)[C@](C)(C)C1CC[C@@]2(C)[C@]3(C)C{16}[C@@H](O)[C@@]4({28}CO)CC5=O 1 compound(s) in CSDB (view)
holacurtine aglycon SMILES CC(=O)[C@H]3CC{14}[C@]4(O)[C@@H]2CC[C@H]1C{3}[C@@H](O)CC[C@]1(C)[C@H]2CC[C@]34C 2 compound(s) in CSDB (view)
epi-holacurtine aglycon SMILES CC(=O)[C@@H]3CC{14}[C@]4(O)[C@@H]2CC[C@H]1C{3}[C@@H](O)CC[C@]1(C)[C@H]2CC[C@]34C 2 compound(s) in CSDB (view)
holacurtinol aglycon SMILES CC(=O)[C@H]3C[C@H](O)[C@]4(O)C2C/C=C\1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@]34C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(=O)[C@H]3C[C@H](O)[C@]4(O)C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2CC[C@]34C$
zanhic acid SMILES CC5(C)CC[C@]4({28}C(=O)O){16}[C@H](O)C[C@]3(C)/C(=C\C[C@@H]2[C@@]1(C)C{2}[C@H](O){3}[C@H](O)[C@@](C)({23}C(=O)O)[C@@H]1CC[C@]23C)C4C5 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC5(C)CC[C@]4(C(=O)O)[C@H](O)C[C@]3(C)/C(=C\C[C@@H]2[C@@]1(C)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC[C@]23C)C4C5$
5,7-dihydroxy-2-propylchromone SMILES CCCC1=CC(C2=C(O1)C={7}C(O)C={5}C2O)=O 1 compound(s) in CSDB (view)
(E)-1-carboxy-4-(N,5-dihydroxy-3-methylpent-2-enamido)-N,N-dimethylbutan-1-amine oxide SMILES C/C(=C\C(=O)N(O)CCCC({1}C(=O)O)N(C)(C)=O)C{11}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\C(=O)N(O)CCCC(C(=O)O)N(C)(C)=O)CCO$
(Z)-3-methyl-dodeca-1,10-dien SMILES C=C{3}C(C)(O)CCCCCC/C=C\C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=CC(C)(O)CCCCCC/C=C\C$
aloin aglycon SMILES O=C2c1{8}c(O)cccc1{10}Cc3cc({15}CO)c{1}c(O)c23 1 compound(s) in CSDB (view)
2,3,4,6,7-pentahydroxy-9,10-dihydro-phenanthrene SMILES O{7}c3cc2CCc1c{2}c(O){3}c(O){4}c(O)c1c2c{6}c3O 3 compound(s) in CSDB (view)
rubranol = 3-deoxohirsutanonol SMILES O{54}c2ccc(CCCC{5}[C@@H](O)CCc1cc{104}c(O){103}c(O)c1)c{53}c2O 7 compound(s) in CSDB (view)
hirsutanonol SMILES O=C(CCc1cc{54}c(O){53}c(O)c1)C{5}[C@@H](O)CCc2cc{104}c(O){103}c(O)c2 4 compound(s) in CSDB (view)
3,16-dihydroxyhopane SMILES C{22}C(C)(O)[C@@H]1CC[C@@]2(C)C1{16}C(O)C[C@]5(C)C2CCC4[C@@]3(C)CC{3}[C@H](O)[C@](C)(C)C3CC[C@]45C 2 compound(s) in CSDB (view)
cannogenol SMILES C[C@]34CCC2C(CCC1C{3}[C@@H](O)CC[C@@]12{18}CO){14}[C@@]3(O)CC[C@@H]4/C5=C/C(=O)OC5 1 compound(s) in CSDB (view)
5β-hydroxy-7,8-dehydrocalotropin aglycon SMILES C[C@]34CC[C@H]2/C(=C\C[C@H]1C{3}[C@@H](O){2}[C@H](O)C[C@@]12C=O){14}[C@@]3(O){15}[C@H](O)C[C@@H]4/C5=C/C(=O)OC5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]34CC[C@H]2/C(=C\C[C@H]1C[C@@H](O)[C@H](O)C[C@@]12C=O)[C@@]3(O)[C@H](O)C[C@@H]4/C5=C/C(=O)OC5$
15β-hydroxy-calotropin aglycon SMILES C[C@]34CC[C@H]2C(CC[C@H]1C{3}[C@@H](O){2}[C@H](O)C[C@@]12C=O){14}[C@@]3(O){15}[C@H](O)C[C@@H]4/C5=C/C(=O)OC5 1 compound(s) in CSDB (view)
(2S)-2-[(3S,4S)-3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]butanedioic acid chebulic acid SMILES O={20}C(O)C[C@H]({17}C(=O)O)[C@H]2c1c({10}C(=O)O)c{8}c(O){7}c(O)c1OC(=O)[C@H]2O 1 compound(s) in CSDB (view)
5-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,4',5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylic acid SMILES OC1=CC({57}C(O)=O)=C(C(O)=C1OC2=C(C=C(C(O)=C2O)O){107}C(O)=O)C3=C(C=C(C(O)=C3O)O){7}C(O)=O 1 compound(s) in CSDB (view)
7R,8S-dehydrodiconiferol derivative SMILES O{4}C1=C(OC)C=C(C=C1)[C@]([C@@]([H])2{9}CO)([H])OC3=C2C=C(C=C3OC)/C=C/{59}C(O)=O 1 compound(s) in CSDB (view)
dictamnoside A aglycone SMILES C[C@@]12CC{6}[C@H](O)[C@]3(CO2)[C@@H]1{1}[C@H](O)[C@H]({11}C(C)(O)C)CC3 2 compound(s) in CSDB (view)
dictamnoside B aglycone SMILES C{11}C([C@@H]1CC[C@]2({14}CO){1}[C@@H](O)CCC([C@H]2{6}[C@@H]1O)=C)(O)C 2 compound(s) in CSDB (view)
dictamnoside C aglycone SMILES CC1=CC{1}[C@H](O)[C@]2({14}CO)[C@@H]1{6}[C@H](O)[C@H]({11}C(C)(O)C)CC2 1 compound(s) in CSDB (view)
dictamnoside D aglycone SMILES C{4}[C@]1(O)CC{1}[C@@H](O)[C@@]2({14}CO)[C@H]1{6}[C@@H](O)[C@@H]({11}C(C)(O)C)CC2 1 compound(s) in CSDB (view)
dictamnoside E aglycone SMILES C{9}[C@@]1(O)CCC=C[C@@]2([H])[C@@]1([H]){1}[C@@H](O)C{3}[C@]2(C)O 1 compound(s) in CSDB (view)
dictamnoside F aglycone SMILES O{1}[C@@H]1[C@]2({14}CO)[C@@]({6}[C@H](O)[C@H]({11}C(C)(O)C)CC2)([H]){4}[C@](O)(C)CC1 1 compound(s) in CSDB (view)
duroin aglycone SMILES CC([C@H]1[C@@H]2[C@]3(OC1=O)C=C[C@H]4[C@@H]3[C@H](OC=C4{15}CO)O2)=O 1 compound(s) in CSDB (view)
3,3',4,4'-tetrahydroxy-μ-truxinic acid SMILES O={59}C(O)[C@@H]1[C@@H]({9}C(=O)O)[C@@H](c2cc{54}c(O){53}c(O)c2)[C@@H]1c1cc{4}c(O){3}c(O)c1 1 compound(s) in CSDB (view)
glaucogenin C SMILES C[C@]35O/C=C\4CC[C@H]2[C@@H](C/C=C\1C{3}[C@@H](O)CC[C@@]12C)C(=O)O[C@H](CO3)[C@@H]45 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]35O/C=C\4CC[C@H]2[C@@H](C/C=C\1C[C@@H](O)CC[C@@]12C)C(=O)O[C@H](CO3)[C@@H]45$
glaucogenin A SMILES C[C@]12C{2}[C@@H](O){3}[C@H](O)CC1=CC[C@H]1C(=O)O[C@@H]3CO[C@]4(C)OC=C(CC[C@@H]12)[C@H]34 7 compound(s) in CSDB (view)
putranjivain A aglycon SMILES O={2}C(O)C1=CC(O)=C(O)C2=C1[C@@]([C@@](C[C@@]3(O)O4)({52}C(O)=O)[C@H](O5)[C@@]64[C@H](O)[C@@H](O)CO6)([H])[C@@]5(O)[C@@]3(O)O2 2 compound(s) in CSDB (view)
repandusinic acid A aglycon SMILES O={5}C(O)/C=C(\{4}C(=O)O)[C@H]1c2c(c{53}c(O){54}c(O){55}c2O)C(=O)O[C@@H]1{1}C(=O)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)/C=C(\C(=O)O)[C@H]1c2c(cc(O)c(O)c2O)C(=O)O[C@@H]1C(=O)O$
narciclasine SMILES O=C1N[C@@H]2C(=C{2}[C@H](O){3}[C@@H](O){4}[C@H]2O)c2cc3c({7}c(O)c21)OCO3 2 compound(s) in CSDB (view)
10-deacetoxy-4-deacetyl-2-debenzoyl-baccatin III SMILES CC1=C2CC(=O)[C@@]3(C)C({1}[C@H](O){2}[C@](O)(C{13}[C@@H]1O)C2(C)C){4}[C@]1(O)CO[C@@H]1C{7}[C@@H]3O 1 compound(s) in CSDB (view)
2,4,10-trideacetyltaxol A SMILES CC1=C2{10}[C@@H](O)C(=O)[C@@]3(C)C({1}[C@H](O){2}[C@](O)(C{13}[C@@H]1O)C2(C)C){4}[C@]1(O)CO[C@@H]1C{7}[C@@H]3O 11 compound(s) in CSDB (view)
2,9-deacetyltaxacustone SMILES C=C1C2C(CC{5}[C@@H]1O){9}[C@@H](O){10}[C@H](O)C1=C(C)C(=O)C[C@@]1({15}C(C)(C)O){2}[C@H]2O 1 compound(s) in CSDB (view)
crepiside C aglycone SMILES C=C1C{8}[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)={3}C(O)C[C@@H]12 2 compound(s) in CSDB (view)
bronssonetine K aglycone SMILES O=C(CC{13}CO)CCCCCCCC{1}[C@@H](O)[C@H]1N[C@H]({51}CO){53}[C@@H](O){54}[C@@H]1O 1 compound(s) in CSDB (view)
bronssonetine L aglycone SMILES O=C(CCC{13}CO)CCCCCCC{1}[C@@H](O)[C@H]1N[C@H]({51}CO){53}[C@@H](O){54}[C@@H]1O 1 compound(s) in CSDB (view)
hydramacroside A aglycone SMILES C=CC1{1}C(O)OC=C2C(=O)O[C@@H](CC(=O)C{15}[C@@H](O)CCc3cc{21}c(O)cc3)C[C@H]21 1 compound(s) in CSDB (view)
hydramacroside B aglycone SMILES C=C[C@@H]1[C@@H]2CC(CC(=O)C{15}[C@@H](O)CC(=O)CCc3cc{23}c(O)cc3)OC(=O)C2=CO{1}[C@H]1O 1 compound(s) in CSDB (view)
3-oxo-isopolygalic-13(14)-ene-28-acid SMILES CC1(C)CC[C@]2({28}C(=O)O)CCC3=C(CCC4[C@@]3(C)CCC3C(C)(C)C(=O)CC[C@@]34C)[C@]2(C)C1 1 compound(s) in CSDB (view)
3β-hydroxy-isopolygalic-14(15)-ene-28-acid SMILES CC1(C)CC[C@]2({28}C(=O)O)CC=C3C(CCC4[C@@]3(C)CCC3C(C)(C){3}[C@@H](O)CC[C@@]34C)[C@]2(C)C1 1 compound(s) in CSDB (view)
bodinone SMILES CC1(C)C(=O)CC[C@@]2(C)C1CC[C@@]1(C)C3=CC[C@@]4({28}C(=O)O)CC[C@@](C)({29}C(=O)O)C[C@@]4(C)C3CCC12 1 compound(s) in CSDB (view)
11α,13-dihydro-4H-tomentosin SMILES C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC{4}[C@@H](C)O)[C@@H]3C[C@H]12 1 compound(s) in CSDB (view)
11α,13-dihydro-4H-xanthalongin SMILES C[C@H]1C[C@H]2OC(=O)[C@@H](C)[C@H]2CC=C1CC{4}[C@@H](C)O 1 compound(s) in CSDB (view)
11β,13-dihydro-4H-tomentosin SMILES C{4}[C@@H](O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)[C@@H]3C 1 compound(s) in CSDB (view)
11β,13-dihydro-4H-xanthalongin SMILES C[C@H]1C[C@H]2OC(=O)[C@H](C)[C@H]2CC=C1CC{4}[C@@H](C)O 1 compound(s) in CSDB (view)
2α-hydroxy-11α,13-dihydro-1-epi-inuviscolide SMILES C=C1C[C@@H]2OC(=O)[C@@H](C)[C@H]2C[C@@H]2[C@H]1{2}[C@@H](O)C{4}[C@@]2(C)O 1 compound(s) in CSDB (view)
(1S,4R,5R)-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,3,5-trimethylcyclohexanol SMILES C{9}[C@@H](O)/C=C/[C@H]1[C@H](C)C{3}[C@H](O)CC1(C)C 1 compound(s) in CSDB (view)
(1R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-3-en-1-ol SMILES CC1=C(/C=C/{9}[C@@H](C)O)C(C)(C)C{3}[C@H](O)C1 1 compound(s) in CSDB (view)
4,5-dihydroblumenol SMILES C{9}[C@@H](O)/C=C/{6}[C@@]1(O)[C@H](C)CC(=O)CC1(C)C 1 compound(s) in CSDB (view)
14-hydroxycretenolide SMILES C=C1C(=O)O[C@]23C[C@H]1CCC({14}CO)=C2C(=O)C=C3C 2 compound(s) in CSDB (view)
4,14-dihydroxyhypocretenoic acid SMILES CC1=CC(=O)C2=C({14}CO)CC[C@@H](C{11}C(=O)O)C{4}[C@]12O 1 compound(s) in CSDB (view)
3-phenyl-1-(2,3,4,6-tetrahydroxyphenyl)propan-1-one SMILES O=C(CCc1ccccc1)c1{6}c(O)c{4}c(O){3}c(O){2}c1O 1 compound(s) in CSDB (view)
camptothecin SMILES CC{20}[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)O 1 compound(s) in CSDB (view)
strictosamide aglycon SMILES C=C[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C(=O)C2=CO{21}[C@H]1O 2 compound(s) in CSDB (view)
pumiloside aglycon SMILES C=C[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c(=O)c4CN3C(=O)C2=CO{21}[C@H]1O 1 compound(s) in CSDB (view)
16α-hydroxy-23-deoxyprotobassic acid SMILES CC1(C){3}[C@@H](O){2}[C@@H](O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]({28}C(O)=O)5{16}[C@H](O)C[C@](C)4[C@@](C)3C{6}[C@@H](O)[C@@]12[H] 2 compound(s) in CSDB (view)
ichangensin SMILES CC1(C)O{13}[C@](C)(O)[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@](C)({17}[C@@H](O)c2ccoc2)[C@@]12O[C@@H]2{16}C(=O)O 1 compound(s) in CSDB (view)
deacetylnomilin SMILES CC4(C)OC(=O)C{11}[C@H](O)[C@]5(C)[C@H]3CC[C@@](C)({17}[C@@H](O)c1ccoc1)[C@@]2(O[C@@H]2{16}C(=O)O)[C@]3(C)C(=O)C[C@@H]45 6 compound(s) in CSDB (view)
obacunone SMILES CC4(C)OC(=O)/C=C\[C@]5(C)[C@H]3CC[C@@](C)({17}[C@@H](O)c1ccoc1)[C@]2(O[C@H]2{16}C(=O)O)[C@]3(C)C(=O)CC45 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC4(C)OC(=O)/C=C\[C@]5(C)[C@H]3CC[C@@](C)([C@@H](O)c1ccoc1)[C@]2(O[C@H]2C(=O)O)[C@]3(C)C(=O)CC45$
limonin SMILES CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@](C)({17}[C@@H](O)c2ccoc2)[C@@]12O[C@@H]2{16}C(=O)O 1 compound(s) in CSDB (view)
deacetylnomilinic acid SMILES O{2}[C@H](C{3}C(=O)O)[C@@]1(C)[C@H]({4}C(C)(C)O)CC(=O)[C@]2(C)[C@@H]1CC[C@@](C)({17}[C@@H](O)c1ccoc1)C21O[C@@H]1{16}C(=O)O 4 compound(s) in CSDB (view)
(3R,6R)-6-(3-hydroxy-4-methylphenyl)-2-methylheptane-2,3-diol SMILES Cc1ccc([C@H](C)CC{12}[C@@H](O){13}C(C)(C)O)c{1}c1O 1 compound(s) in CSDB (view)
(-)-anymol SMILES CC(=CCC{8}[C@](C)(O)[C@@H]1CCC(=CC1)C)C 1 compound(s) in CSDB (view)
1,8-dihydroxy-3-methoxy-6-methyl-9,10-anthraquinone parietin SMILES COc1c{8}c(O)c2c(c1)C(=O)c1cc(C)c{1}c(O)c1C2=O 3 compound(s) in CSDB (view)
torosachrysone SMILES COc1c{8}c(O)c2c(O)c3c(cc2c1)C{3}[C@](C)(O)CC3=O 2 compound(s) in CSDB (view)
(R)-5-hydroxy-6-((1E,3E)-6-hydroxyhexa-1,3-dien-1-yl)-2-(hydroxymethyl)thieno[2,3-e]isobenzofuran-8(6H)-one SMILES O{1}CC1=CC2=C{5}C(O)=C3C(C(O[C@@H]3/C=C/C=C/C{6}CO)=O)=C2S1 1 compound(s) in CSDB (view)
(2S,5R)-2-hydroxy-2-(hydroxymethyl)-6,10,10-trimethyl-1-oxaspiro[4.5]dec-6-en-8-one SMILES C/C1=C/C(=O)CC(C)(C)[C@]12CC{2}[C@@](O)({1}CO)O2 1 compound(s) in CSDB (view)
5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one eriosematin A SMILES CC(C)=CCc1{7}c(O)c{5}c(O)c2c(=O)ccoc12 1 compound(s) in CSDB (view)
stauntogenin SMILES O{3}[C@H](C1)CC[C@@]2(C)C1=CC[C@]3([H])C2C/C=C4C([C@@](OC5)(C)OC/4=O)[C@]5([H])OC3=O 2 compound(s) in CSDB (view)
isoptaquilosin SMILES [H][C@@]3(C)C{7}[C@@]2(O)/C=C(C)\[C@]1(CC1){4}[C@](C)(O)[C@@]2([H])C3=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES [H][C@@]3(C)C[C@@]2(O)/C=C(C)\[C@]1(CC1)[C@](C)(O)[C@@]2([H])C3=O$
caudatoside aglycone SMILES [H][C@]13C(=O)[C@@](C)({11}CO)C{7}[C@@]1(O)/C=C(C)\[C@]2(CC2){4}[C@@]3(C)O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES [H][C@]13C(=O)[C@@](C)(CO)C[C@@]1(O)/C=C(C)\[C@]2(CC2)[C@@]3(C)O$
pteridanone SMILES [H][C@@]13CC(C)(C)C(=O)[C@]1([H])[C@@]/2(C)CCC2=C({12}CO)\{5}[C@H]3O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES [H][C@@]13CC(C)(C)C(=O)[C@]1([H])[C@@]/2(C)CCC2=C(CO)\[C@H]3O$
hirundigenin R1 SMILES O{3}[C@H](C1)CC[C@@]2(C)C1=CC[C@@H]3[C@@H]2CC[C@@]45{14}[C@]3(O)O[C@@]6([H])[C@]4([H])[C@@](OC6)(C)OC5 1 compound(s) in CSDB (view)
apocynol A SMILES C{9}[C@@H](O)/C=C/[C@H]1/C({13}CO)=C\C(=O)CC1(C)C 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H](O)/C=C/[C@H]1/C(CO)=C\C(=O)CC1(C)C$
12β-hydroxycimigenol SMILES C[C@@H]1C[C@@H]2O[C@]3(O[C@@H]2{25}C(C)(C)O)[C@@H]1[C@@]1(C){12}[C@H](O)C[C@@]24C[C@@]25CC{3}[C@H](O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C){15}[C@H]3O 2 compound(s) in CSDB (view)
(2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one hesperetin chalcone SMILES COc1ccc(/C=C/C(=O)c2{2}c(O)c{4}c(O)c{6}c2O)c{53}c1O 1 compound(s) in CSDB (view)
tibeticoside aglycone SMILES O{9}C[C@H]1[C@@H](c2ccc3c(c2)OCO3)OC[C@H]1{7}[C@@H](O)c1ccc2c(c1)OCO2 2 compound(s) in CSDB (view)
3,3',5-trihydroxy-2-biphenylcarboxylic acid SMILES O={2}C(O)c1{3}c(O)c{5}c(O)cc1-c1ccc{53}c(O)c1 1 compound(s) in CSDB (view)
7,9,10-trixydroxy-3R-methyl-1H-3,4-dihydronaphtho-[2,3c]-pyran-1-one SMILES C[C@@H]1Cc2cc3c{7}c(O)c{9}c(O)c3{10}c(O)c2C(=O)O1 3 compound(s) in CSDB (view)
gulsamanin aglycone SMILES O{53}c4cc3c{56}c(O){57}c(O)c(c1{8}c(O)ccc2ccc(=O)oc12)c3oc4=O 1 compound(s) in CSDB (view)
(αR)-α,3,4,2',3',4'-hexahydroxydihydrochalcone SMILES O=C(c1cc{54}c(O){53}c(O){52}c1O){1}[C@H](O)Cc2cc{3}c(O){4}c(O)c2 1 compound(s) in CSDB (view)
(αR)-α,3,4,2',4'-pentahydroxydihydrochalcone SMILES O=C(c1cc{54}c(O){53}c{52}c1O){1}[C@H](O)Cc2cc{3}c(O){4}c(O)c2 3 compound(s) in CSDB (view)
5,7-dihydroxy-2-isopropylchromone SMILES CC(C)c1cc(=O)c2{5}c(O){6}c{7}c(O){8}cc2o1 4 compound(s) in CSDB (view)
mayoside aglycone SMILES Cc1c{8}c(O)c2c(c1){10}[C@@H](O)c1c{3}c(O)c{1}c(O)c1C2=O 2 compound(s) in CSDB (view)
saroside aglycone SMILES Cc1c{8}c(O)c2c(c1){10}[C@H](O)c1c{3}c(O)c{1}c(O)c1C2=O 1 compound(s) in CSDB (view)
ixerin Y aglycone SMILES C=C1C(=O)O[C@@H]2[C@H]3{15}C(O)=CCC3=C(C)C{8}[C@H](O)[C@@H]12 1 compound(s) in CSDB (view)
3β-hydroxy-isopolygalic-13(14)-ene-28-acid SMILES CC1(C)CC[C@]2({28}C(=O)O)CCC3=C(CCC4[C@@]3(C)CCC3C(C)(C){3}[C@@H](O)CC[C@@]34C)[C@]2(C)C1 1 compound(s) in CSDB (view)
5-(8-hydroxyoctylcarbamothioylamino)-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid SMILES S=C(NC1=CC(C(O)=O)=C(C(C2=C(O3)C=C(O)C=C2)=C4C3=CC(C=C4)=O)C=C1)NCCCCCCC{8}CO 1 compound(s) in CSDB (view)
24(R),28(S)-epoxy-3β,16β-dihydroxy-5α-stigmasta-7,9(11)-diene-21,23(S)-carbolactone vernoniol A1 SMILES C[C@H]1[C@@](C(C)C)(O1)[C@@H]2C[C@@H]([C@@H]3{16}[C@@H](O)C[C@@]4([H])C5=CC[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)C5=CC[C@]34C)C(O2)=O 1 compound(s) in CSDB (view)
24(R),28(S)-epoxy-3β,16α-dihydroxy-5α-stigmasta-7,9(11)-diene-21,23(S)-carbolactone vernoniol A2 SMILES C[C@H]1[C@@](C(C)C)(O1)[C@@H]2C[C@@H]([C@@H]3{16}[C@H](O)C[C@@]4([H])C5=CC[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)C5=CC[C@]34C)C(O2)=O 2 compound(s) in CSDB (view)
3β,24β-trihydroxy-21,23:22,28:26,28-triepoxy-5α-stigmasta-8(9),14(15)-dien SMILES C[C@H]6CO[C@]7(C)OC1C(O{19}C(O)C1[C@H]3C/C=C\2/C5=C(CC[C@@]23C)/[C@@]4(C)CC{3}[C@H](O)CC4CC5){21}C67O 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]6CO[C@]7(C)OC1C(OC(O)C1[C@H]3C/C=C\2/C5=C(CC[C@@]23C)/[C@@]4(C)CC[C@H](O)CC4CC5)C67O$
3β,24β,26,28α-tetrahydroxy-22,28-epoxy-5α-stigmasta-8(9),14(15)-dien-21,23-lactone SMILES CC({29}CO)[C@@]6(C)C5OC(=O)C([C@H]2C/C=C\1/C4=C(CC[C@@]12C)/[C@@]3(C)CC{3}[C@H](O)CC3CC4)C5O{22}[C@@]6(C)O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(CO)[C@@]6(C)C5OC(=O)C([C@H]2C/C=C\1/C4=C(CC[C@@]12C)/[C@@]3(C)CC[C@H](O)CC3CC4)C5O[C@@]6(C)O$
vernoniol A3 SMILES C[C@H]1[C@@](C(C)C)(O1)[C@@H]2C[C@@H]([C@@H]3C(=O)C[C@@]4([H])C5=CC[C@@]6([H])C{3}[C@@H](O)CC[C@]6(C)C5=CC[C@]34C)C(O2)=O 1 compound(s) in CSDB (view)
vernoniol A4 SMILES CC(O)C(C(C)C)(O)C1C=C([C@@H]2{16}[C@H](O)C[C@@]3([H])C4=CC[C@@]5([H])C{3}[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)C(O1)=O 1 compound(s) in CSDB (view)
emodin SMILES O{1}C(C=C(C=C1C(C2=C3{8}C(O)=C{6}C(O)=C2)=O)C)=C1C3=O 17 compound(s) in CSDB (view)
(24E)-stigmasta-7,24(28)-dien-3β-ol SMILES CC(C)/C(CC[C@@H](C)[C@H]1CC[C@@]2([H])C3=CCC4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=C/C 1 compound(s) in CSDB (view)
4α-methyl-24E-stigmasta-7,24(28)-dien-3β-ol SMILES CC(C)/C(CC[C@@H](C)[C@H]1CC[C@@]2([H])C3=CCC4[C@H](C){3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=C/C 1 compound(s) in CSDB (view)
stigmast-7-en-3β-ol SMILES CC[C@@H](C(C)C)CC[C@@H](C)[C@H]1CC[C@@]2([H])C3=CCC4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 1 compound(s) in CSDB (view)
(5α,22E)-stigmasta-7,22-dien-3β-ol α-spinasterol SMILES CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC{3}[C@@H](C4)O)C)C)C(C)C 2 compound(s) in CSDB (view)
(22E,24R)-stigmasta-5,22-dien-3β-ol poriferasterol SMILES CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC{3}[C@@H](C4)O)C)C)C(C)C 1 compound(s) in CSDB (view)
(22E,24R)-stigmast-7,22-dien-3α-ol SMILES CC[C@H](C(C)C)/C=C/[C@@H](C)[C@H]1CC[C@@]2([H])C3=CCC4C{3}[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 2 compound(s) in CSDB (view)
stigmast-22-en-3β-ol SMILES CC[C@@H](C(C)C)C=C[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CCC4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 1 compound(s) in CSDB (view)
24S-stigmasta-5,25-dien-3β-ol clerosterol SMILES CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC{3}[C@@H](C4)O)C)C)C(=C)C 4 compound(s) in CSDB (view)
stigmasta-5,24(28)-diene-3β-ol SMILES CC(C)/C(CC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=C/C 1 compound(s) in CSDB (view)
stigmasta-7,22,25-trien-3β-ol SMILES CC[C@@H](C(C)=C)C=C[C@@H](C)[C@H]1CC[C@@]2([H])C3=CCC4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 1 compound(s) in CSDB (view)
(Z)-stigmasta-5,24(28)-dien-3β-ol isofucosterol SMILES C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC{3}[C@@H](C4)O)C)C)\C(C)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C$
stigmast-5-en-3,29-diol SMILES CC1(C2C(C)CCC(C{29}CO)C(C)C)C(CC2)C(CC=C3C4(C)CC{3}C(O)C3)C4CC1 1 compound(s) in CSDB (view)
catalpol aglycon SMILES O{1}[C@H]1[C@]2([C@@]([H])(C=CO1){6}[C@@H]([C@H]3[C@@]2(O3){10}CO)O)[H] CSDB Linear: xXCatalpol 83 compound(s) in CSDB (view) ( as in Pubchem, enumerated to be substitutable at 1,6,10)
ajugol aglycon SMILES O{1}[C@H]1[C@]2([C@@]([H])(C=CO1){6}[C@H](C{8}[C@@]2(O)C)O)[H] 6 compound(s) in CSDB (view)
geniposidic acid aglycon SMILES O={11}C(C1=CO{1}[C@@H](O)[C@@]2([H])[C@]1([H])CC=C2{10}CO)O 6 compound(s) in CSDB (view)
duranterectoside aglycon SMILES O={11}C(C1=CO{1}[C@@H](O)[C@@]2([H]){5}[C@]1(O)C{7}[C@H](O){8}[C@@]2(O)C)O 12 compound(s) in CSDB (view)
duranterectoside D aglycon SMILES O={11}C(C1=CO{1}[C@@H](O)[C@@]2([H]){5}[C@]1(O){6}[C@H](O){7}[C@H](O){8}[C@@]2(O)C)O 1 compound(s) in CSDB (view)
aucubin aglycon SMILES O{10}CC1=C{6}[C@@H](O)[C@H]2[C@@H]1{1}[C@H](O)OC=C2 16 compound(s) in CSDB (view)
mussaenosidic acid aglycon SMILES C{10}[C@]1(O)CC[C@H]2[C@@H]1{1}[C@H](O)OC=C2{11}C(O)=O 10 compound(s) in CSDB (view)
gardoside aglycon SMILES O={11}C(O)C1=CO{1}[C@H](O)[C@@H]2[C@H]1C{7}[C@H](O)C2=C 3 compound(s) in CSDB (view)
loganic acid aglycon SMILES O={11}C(C1=CO{1}[C@@H](O)[C@@]2([H])[C@]1([H])C{7}[C@H](O)[C@@H]2C)O 14 compound(s) in CSDB (view)
ketologanic acid aglycon = ketologanin aglycon SMILES O={11}C(C1=CO{1}[C@@H](O)[C@@]2([H])[C@]1([H])CC(=O)[C@@H]2C)O 1 compound(s) in CSDB (view)
deoxyloganic acid aglycon = deoxyloganin aglycon SMILES O={11}C(C1=CO{1}[C@@H](O)[C@@]2([H])[C@]1([H])CC[C@@H]2C)O 1 compound(s) in CSDB (view)
6β-hydroxy-7-epiloganic acid aglycon = 6β-hydroxy-7-epiloganin aglycon SMILES O={11}C(C1=CO{1}[C@@H](O)[C@@]2([H])[C@]1([H]){6}[C@H](O){7}[C@@H](O)[C@@H]2C)O 1 compound(s) in CSDB (view)
secologanin aglycon SMILES O=C(C1=CO{1}[C@@H](O)[C@H](C=C)[C@@H]1CC=O)OC 5 compound(s) in CSDB (view)
secologanin aglycon diacetal SMILES O=C(C1=CO{1}[C@@H](O)[C@H](C=C)[C@@H]1C{7}C(O){57}O)OC 4 compound(s) in CSDB (view)
8-epiloganin aglycon SMILES O=C(C1=CO{1}[C@@H](O)[C@@]2([H])[C@]1([H])C{7}[C@H](O)[C@H]2C)OC 1 compound(s) in CSDB (view)
8-epitecomoside aglycon SMILES O=CC1=CO{1}[C@@H](O)[C@@]2([H]){5}[C@]1(O)C{7}[C@H](O)[C@H]2C 2 compound(s) in CSDB (view)
plantarenaloside aglycon SMILES O=CC1=CO{1}[C@@H](O)[C@@]2([H]){5}[C@]1(O)CC[C@H]2C 5 compound(s) in CSDB (view)
capensioside aglycon SMILES O{1}[C@@H]1[C@@]2([H])[C@@](CC[C@@H]2{10}CO)([H])C=CO1 1 compound(s) in CSDB (view)
thunaloside aglycon SMILES O{1}[C@@H]1[C@@]2([H])[C@](C{7}[C@H](O)[C@@H]2{8}CO)([H])C=CO1 1 compound(s) in CSDB (view)
stilbericoside aglycon SMILES O{1}[C@@H]1[C@@]2([H]){5}[C@@]({6}[C@H](O)[C@@]3([H])[C@]2([H])O3)(O)C=CO1 1 compound(s) in CSDB (view)
sweroside aglycon = 4-desoxy-swertiamarine aglycon SMILES O=C1C2=CO{1}[C@@H](O)[C@H](C=C)[C@]2([H])CCO1 12 compound(s) in CSDB (view)
schismoside aglycon SMILES O={11}C(C1=CO{1}[C@@H](O)[C@@]2([H])[C@]1([H]){5}[C@H](O){6}[C@H](O){7}[C@]2(O)C)OC 1 compound(s) in CSDB (view)
6β-hydroxy-boschnaloside aglycon SMILES C[C@]1([H])C{6}[C@](O)([H])[C@]2([H])C(C=O)=CO{1}[C@](O)([H])C12[H] 6 compound(s) in CSDB (view)
meltoside aglycon SMILES O{1}[C@H]1[C@@]2([H]){5}[C@@]({6}[C@H](O)C=C2{10}CO)(O)C=CO1 1 compound(s) in CSDB (view)
harpagide aglycon SMILES O{1}[C@H]1[C@@]2([H]){5}[C@@]({6}[C@H](O)C{8}[C@]2(C)O)(O)C=CO1 17 compound(s) in CSDB (view)
elenolic acid SMILES C[C@H]1[C@@H](C=O)[C@H](C{7}C(O)=O)C(C(OC)=O)=CO1 3 compound(s) in CSDB (view)
2-(3-ethenyl-2-hydroxy-5-methoxycarbonyl-3,4-dihydro-2H-pyran-4-yl)acetic acid oleuropein aglycon core isomer SMILES C=CC1{1}[C@H](O)O/C=C(C(=O)OC)\C1C{7}C(=O)O 5 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=CC1[C@H](O)O/C=C(C(=O)OC)\C1CC(=O)O$
fusicoccin A aglycon SMILES COC[C@]1(CC[C@]2([H])/C1=C\[C@]3({12}[C@@H](O)CC([C@](COC(C)=O)([H])C)=C3{9}[C@H]({8}[C@@H]([C@@H]2C)O)O)C)[H] 5 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC[C@]1(CC[C@]2([H])/C1=C\[C@]3([C@@H](O)CC([C@](COC(C)=O)([H])C)=C3[C@H]([C@@H]([C@@H]2C)O)O)C)[H]$
deacetylfusicoccin A aglycon SMILES COC[C@]1(CC[C@]2([H])/C1=C\[C@]3({12}[C@@H](O)CC([C@]({15}CO)([H])C)=C3{9}[C@H]({8}[C@@H]([C@@H]2C)O)O)C)[H] 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC[C@]1(CC[C@]2([H])/C1=C\[C@]3([C@@H](O)CC([C@](CO)([H])C)=C3[C@H]([C@@H]([C@@H]2C)O)O)C)[H]$
4-dihydrophaseic acid SMILES O={1}C(O)/C=C(C)\C=C\{51}[C@@]1(O)[C@@]2(C)C{54}[C@@H](O)C[C@]1(C)OC2 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)/C=C(C)\C=C\[C@@]1(O)[C@@]2(C)C[C@@H](O)C[C@]1(C)OC2$
(-)-perillic alcohol = S-perillic alcohol SMILES CC([C@@H](CC1)CC=C1{7}CO)=C 1 compound(s) in CSDB (view)
S-perillic acid SMILES CC([C@@H](CC1)CC=C1{7}C(O)=O)=C 1 compound(s) in CSDB (view)
swertiamarine aglycon SMILES C=C[C@H]1{6}[C@H](O)OC=C2{4}[C@@]1(O)CCOC2=O 5 compound(s) in CSDB (view)
8-epikingisidic acid aglycon SMILES C[C@@H]1[C@@H]2[C@@H](C({11}C(O)=O)=CO{1}[C@H]2O)CC(O1)=O 6 compound(s) in CSDB (view)
gentiopicroside aglycon SMILES C=C[C@H]1{6}[C@H](O)OC=C2C1=CCOC2=O 6 compound(s) in CSDB (view)
eustomoside aglycon SMILES O=C1C2=CO{6}[C@@H](O)[C@H]({9}[C@H](O){10}CO){4}[C@]2(O)CCO1 2 compound(s) in CSDB (view)
eustomorusside aglycon SMILES O=C1C2=CO{6}[C@@H](O)[C@H]([C@@H]3OC3){4}[C@]2(O)CCO1 2 compound(s) in CSDB (view)
dendranthemoside B aglycon = boscialin SMILES C[C@@H]1C{4}[C@H](O)CC(C)(C){1}[C@@]1(O)/C=C/C(C)=O 2 compound(s) in CSDB (view)
medicarpin SMILES COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=C{3}C(=C4)O 3 compound(s) in CSDB (view)
coumestrol SMILES O=C1C2=C(C(C=C{3}C(O)=C3)=C3O1)OC4=C2C=CC(O)=C4 2 compound(s) in CSDB (view)
Z-hex-3-en-1-ol aoba alcohol SMILES CC/C=C\C{1}CO 6 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC/C=C\CCO$
3-hydroxy-6-oxo-1,4-dioxane-2-carboxylic acid SMILES O={53}C(C({51}C(O)OC1)OC1=O)O 1 compound(s) in CSDB (view)
jasuroside aglycon SMILES O{5}[C@@H]1[C@@H](C)[C@@H]({7}CO)[C@H]([C@@H](CC){10}CO)C1 4 compound(s) in CSDB (view)
9-hydroxy-jasuroside aglycon SMILES O{5}[C@@H]1[C@@H](C)[C@@H]({7}CO)[C@H]([C@@H](C{9}CO){10}CO)C1 2 compound(s) in CSDB (view)
jasuroside G aglycon SMILES O{5}[C@@H]1[C@H](C)[C@@H]({7}CO)[C@H]([C@@H](CC){10}CO)C1 1 compound(s) in CSDB (view)
valoneic acid dilactone SMILES O{7}C1=C(C=C(C2=C1OC(C3=C24)=O)C(OC4={2}C({3}C(O)=C3)O)=O)OC5={53}C({54}C(O)={55}C(C=C5{57}C(O)=O)O)O 2 compound(s) in CSDB (view)
valoneic acid SMILES OC1=C(O)C=C({107}C(O)=O)C(C2=CC(O)=C(OC3=C(O)C(O)=C(O)C=C3{57}C(O)=O)C=C2{7}C(O)=O)=C1 3 compound(s) in CSDB (view)
acaindinin aglycon SMILES OC1=C2O[C@@]3([C@@](C2=C(C=C1O){107}C(O)=O)([H])C({56}C(O)=O)(CC3O)O)O 1 compound(s) in CSDB (view)
tinocordiside aglycon SMILES CC([C@@H]1[C@@H]([C@H]({11}C(C)(O)C)CC2)C3[C@@]12C)=CC3=O 1 compound(s) in CSDB (view)
(+)-abscisic acid = abscisic acid SMILES CC1=CC(=O)CC({51}[C@]1(/C=C/C(=C\{1}C(=O)O)/C)O)(C)C 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C$
(+/-)-abscisic acid SMILES CC1=CC(=O)CC({51}[C]1(/C=C/C(=C\{1}C(=O)O)/C)O)(C)C 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1=CC(=O)CC([C]1(/C=C/C(=C\C(=O)O)/C)O)(C)C$
11α-methyl-lactucin SMILES [H][C@@]12C(C(C=C1{15}CO)=O)=C(C{8}[C@@H]([C@@H]3[C@@H]2OC([C@H]3C)=O)O)C 1 compound(s) in CSDB (view)
11βH,13-dihydro-zaluzanin C SMILES [H][C@@]1(C2C{3}[C@H](C1=C)O)[C@@H]([C@@H]3CCC2=C)OC([C@@H]3C)=O 2 compound(s) in CSDB (view)
spinonin aglycon SMILES O{9}C1=CC=C({7}C(O)=C1)C2=CC([C@H](O2)CC3=CC={54}C(C=C3)O)=O 1 compound(s) in CSDB (view)
(5β,8α,9β,10α)-13α-hydroxykaur-16-en-18-oic acid steviol SMILES C[C@@]1({19}C(O)=O)CCC[C@]2(C)[C@H]1CC[C@]3(C4)[C@@]2([H])CC{13}[C@@](O)(C4=C)C3 CSDB Linear: xXSteviol 63 compound(s) in CSDB (view)
fagomine SMILES O{6}C[C@@H]1{4}[C@@H](O){3}[C@H](O)CCN1 2 compound(s) in CSDB (view)
10-hydroxy-oleoside aglycon SMILES O{1}[C@H]1/C(C(C({11}C(O)=O)=CO1)C{7}C(O)=O)=C/{10}CO 8 compound(s) in CSDB (view)
nicotinic acid SMILES O={1}C(O)C1=CN=CC=C1 34 compound(s) in CSDB (view)
nicotinic acid (N-linked) SMILES O=C(O)C1=C{51}[N+]([H])=CC=C1 6 compound(s) in CSDB (view)
trans-zeatin SMILES C/C(=C\CNC1=NC=NC2=C1{7}NC=N2)/{13}CO 16 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\CNC1=NC=NC2=C1NC=N2)/CO$
trans-zeatin (9-protonated) SMILES O{13}C/C(C)=C/CNC1=C2{7}NC={9}[N+]([H])C2=NC=N1 4 compound(s) in CSDB (view)
cis-zeatin SMILES C/C(=C/CNC1=NC=NC2=C1{7}NC=N2)/{14}CO 7 compound(s) in CSDB (view)
cis-zeatin (9-protonated) SMILES O{14}C/C(C)=C\CNC1=C2{7}NC={9}[N+]([H])C2=NC=N1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC/C(C)=C\CNC1=C2NC=[N+]([H])C2=NC=N1$
dihydrozeatin SMILES C/C(CCNC1=NC=NC2=C1{7}NC=N2)/{13}CO 12 compound(s) in CSDB (view)
dihydrozeatin (9-protonated) SMILES O{13}CC(C)CCNC1=C2{7}NC={9}[N+]([H])C2=NC=N1 3 compound(s) in CSDB (view)
N6-isopent-2-enyladenine SMILES C/C(C)=C/CNC1=C2C(N=C{7}N2)=NC=N1 6 compound(s) in CSDB (view)
N6-isopent-2-enyladenine (9-protonated) SMILES C/C(C)=C/CNC1=C2C({9}[NH+]=C{7}N2)=NC=N1 2 compound(s) in CSDB (view)
N6-benzyladenine SMILES C1(CNC2=C3C(N=C{7}N3)=NC=N2)=CC=CC=C1 4 compound(s) in CSDB (view)
N6-benzyladenine (9-protonated) SMILES C1(CNC2=C3C({9}[NH+]=C{7}N3)=NC=N2)=CC=CC=C1 1 compound(s) in CSDB (view)
kinetin SMILES C1(CNC2=C3C(N=C{7}N3)=NC=N2)=CC=CO1 3 compound(s) in CSDB (view)
kinetin (9-protonated) SMILES C1(CNC2=C3C({9}[NH+]=C{7}N3)=NC=N2)=CC=CO1 1 compound(s) in CSDB (view)
phenylacetothiohydroximate SMILES {151}O/N=C({51}S)/CC1=CC=CC=C1 6 compound(s) in CSDB (view)
benzylacetothiohydroximate SMILES {151}O/N=C({51}S)/CCC1=CC=CC=C1 2 compound(s) in CSDB (view)
hydroxydestruxin B SMILES CC[C@@H]([C@H](NC([C@@H]1CCCN1C([C@H](O2)C{52}C(C)(O)C)=O)=O)C(N([C@H](C(N([C@H](C(NCCC2=O)=O)C)C)=O)C(C)C)C)=O)C 1 compound(s) in CSDB (view)
brassinolide SMILES O{3}[C@@H](C[C@]12[H]){2}[C@@H](C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C){22}[C@H]({23}[C@@H]([C@H](C(C)C)C)O)O)CC[C@@]4([H])[C@]3([H])COC1=O)O 4 compound(s) in CSDB (view)
castasterone SMILES C[C@H]({22}[C@@H](O){23}[C@H](O)[C@H](C(C)C)C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2CC([C@@H]4[C@]3(C)C{2}[C@@H](O){3}[C@@H](O)C4)=O 4 compound(s) in CSDB (view)
2'-methoxy-4,4',6'-trihydroxychalcone SMILES O=C(C1={56}C(O)C={54}C(O)C=C1OC)/C=C/C2=CC={4}C(O)C=C2 2 compound(s) in CSDB (view)
2',3',4,4'-tetrahydroxychalcone SMILES O=C(C1=CC={54}C(O){53}C(O)={52}C1O)/C=C/C2=CC={4}C(O)C=C2 1 compound(s) in CSDB (view)
2',3,4,4'-tetrahydroxychalcone SMILES O=C(C1=CC={54}C(C={52}C1O)O)/C=C/C2=C{3}C(O)={4}C(O)C=C2 3 compound(s) in CSDB (view)
2',4,4',9-tetrahydroxy-dihydrochalcone SMILES O=C(C1=CC={54}C(O)C={52}C1O)C{9}C(O)C2=CC={4}C(O)C=C2 1 compound(s) in CSDB (view)
2',3,3',4,4'-pentahydroxychalcone okanin SMILES O=C(C1=CC={54}C(O){53}C(O)={52}C1O)/C=C/C2=CC={4}C(O){3}C(O)=C2 7 compound(s) in CSDB (view)
anhydroicaritin SMILES C/C(C)=C\CC1=C2C(C({3}C(O)=C(C3=CC=C(OC)C=C3)O2)=O)={5}C(O)C={7}C1O 17 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C2C(C(C(O)=C(C3=CC=C(OC)C=C3)O2)=O)=C(O)C=C1O$
isorhamnetin SMILES O{3}C1=C(C2=CC={54}C(O)C(OC)=C2)OC3=C({5}C(O)=C{7}C(O)=C3)C1=O 47 compound(s) in CSDB (view)
3,3′,4′,5,5′,7-hexahydroxyflavone myricetin SMILES O{3}C1=C(C2=C{53}C(O)={54}C(O){55}C(O)=C2)OC3=C({5}C(O)=C{7}C(O)=C3)C1=O CSDB Linear: xXMyricetin 44 compound(s) in CSDB (view)
3'-methoxy-3,4′,5,5′,7-pentahydroxyflavone laricytrin SMILES O{3}C1=C(C2=CC(OC)={54}C(O){55}C(O)=C2)OC3=C({5}C(O)=C{7}C(O)=C3)C1=O 5 compound(s) in CSDB (view)
delphinidin SMILES O{3}C1=C(C2=C{53}C(O)={54}C(O){55}C(O)=C2)[O+]=C3C={7}C(O)C={5}C(O)C3=C1 47 compound(s) in CSDB (view)
malvidin SMILES O{3}C1=C(C2=CC(OC)={54}C(O)C(OC)=C2)[O+]=C3C={7}C(O)C={5}C(O)C3=C1 15 compound(s) in CSDB (view)
petunidin SMILES COC1=CC(C2=[O+]C3=C{7}C(O)=C{5}C(O)=C3C={3}C2O)=C{53}C(O)={54}C1O 10 compound(s) in CSDB (view)
pelargonidin SMILES O{3}C1=C(C2=CC={54}C(O)C=C2)[O+]=C3C={7}C(O)C={5}C(O)C3=C1 31 compound(s) in CSDB (view)
7-hydroxy-4'-methoxyisoflavone formononetin SMILES O=C1C(C2=CC=C(OC)C=C2)=COC3=C1C=C{7}C(O)=C3 8 compound(s) in CSDB (view)
catechin SMILES O{3}[CH]1C(C2=CC={54}C(O){53}C(O)=C2)OC3=C({5}C(O)=C{7}C(O)=C3)C1
(+)-catechin SMILES O{3}[C@@H]1[C@@H](C2=CC={54}C(O){53}C(O)=C2)OC3=C({5}C(O)=C{7}C(O)={8}C3)C1 3 compound(s) in CSDB (view)
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (-)-epicatechin SMILES O{7}C1=C{5}C(O)=C2C{3}[C@H]([C@H](OC2={8}C1)C3=C{53}C(O)={54}C(O)C=C3)O 4 compound(s) in CSDB (view)
viscidulin III SMILES O=C(C1={5}C(O)C={7}C(O)C(OC)=C1O2)C=C2C3=C(OC){55}C(O)=CC={52}C3O 1 compound(s) in CSDB (view)
carthamidin SMILES O=C1C({5}C(O)=C{7}C(O)={8}C2O)=C2O[C@H](C3=CC={54}C(O)C=C3)C1 1 compound(s) in CSDB (view) ( according to DOI:10.1016/0031-9422(93)85371-W)
chrysoeriol SMILES O=C1C=C(C2=CC={54}C(O)C(OC)=C2)OC3=C{7}C(O)=C{5}C(O)=C13 8 compound(s) in CSDB (view)
7,4'-dihydroxyisoflavone daidzein SMILES O=C1C(C2=CC={54}C(O)C=C2)=COC3=C1C=C{7}C(O)={8}C3 22 compound(s) in CSDB (view)
7,3',4'-trihydroxy-isoflavone SMILES O=C1C(C2=C{53}C(O)={54}C(O)C=C2)=COC3=C1C=C{7}C(O)={8}C3 13 compound(s) in CSDB (view)
7,4'-dihydroxy-3'-methoxy-isoflavone SMILES O=C1C(C2=CC(OC)={54}C(O)C=C2)=COC3=C1C=C{7}C(O)=C3 1 compound(s) in CSDB (view)
7,4'-dihydroxyflavone SMILES O=C1C=C(C2=CC={54}C(O)C=C2)OC3=C1C=C{7}C(O)=C3 3 compound(s) in CSDB (view)
5,6,7-trihydroxyflavone baicalein SMILES O=C1C=C(C2=CC=CC=C2)OC3=C1{5}C(O)={6}C(O){7}C(O)=C3 9 compound(s) in CSDB (view)
5,7,4'-trihydroxyflavanone naringenin SMILES O=C1CC(C2=CC={54}C(O)C=C2)OC3=C{7}C(O)={6}C{5}C(O)=C13 32 compound(s) in CSDB (view)
(R)-5,7,4'-trihydroxyflavanone (R)-naringenin SMILES O=C1C[C@H](C2=CC={54}C(O)C=C2)OC3=C{7}C(O)={6}C{5}C(O)=C13 2 compound(s) in CSDB (view)
(S)-5,7,4'-trihydroxyflavanone (S)-naringenin SMILES O=C1C[C@@H](C2=CC={54}C(O)C=C2)OC3=C{7}C(O)={6}C{5}C(O)=C13 1 compound(s) in CSDB (view)
5,7,4'-trihydroxyisoflavone genistein SMILES O=C1C(C2=CC={54}C(O)C=C2)=COC3=C1{5}C(O)={6}C{7}C(O)={8}C3 40 compound(s) in CSDB (view)
5,7,2',4'-tetrahydroxyisoflavone 2'-hydroxy-genistein SMILES O=C1C(C2=CC={54}C(O)C={52}C2O)=COC3=C1{5}C(O)=C{7}C(O)=C3 3 compound(s) in CSDB (view)
5,7,2',6'-tetrahydroxyflavone SMILES O=C1C=C(C2={52}C(O)C=CC={56}C2O)OC3=C1{5}C(O)=C{7}C(O)=C3 2 compound(s) in CSDB (view)
4',5-dihydroxy-6,7-dimethoxy-flavone cirsimaritin SMILES O=C1C=C(C2=CC={54}C(O)C=C2)OC3=C1{5}C(O)=C(OC)C(OC)={8}C3 2 compound(s) in CSDB (view)
glycitein SMILES O=C1C2=CC(OC)={7}C(O)C=C2OC=C1C3=CC={54}C(O)C=C3 6 compound(s) in CSDB (view)
acacetin SMILES O=C1C=C(C2=CC=C(OC)C=C2)OC3=C1{5}C(O)=C{7}C(O)=C3 9 compound(s) in CSDB (view)
rhamnocitrin SMILES O=C1C2={5}C(O)C=C(OC)C=C2OC(C3=CC={54}C(O)C=C3)={3}C1O 2 compound(s) in CSDB (view)
3,5,7,3',4'-pentahydroxyflavone quercetin SMILES O{3}C1=C(C2=C{53}C(O)={54}C(O)C=C2)OC3=C({5}C(O)=C{7}C(O)=C3)C1=O CSDB Linear: xXQuercetin 285 compound(s) in CSDB (view)
quercetagetin SMILES O{7}C1=CC2=C(C({3}C(O)=C(C3=CC={54}C(O){53}C(O)=C3)O2)=O){5}C(O)={6}C1O 14 compound(s) in CSDB (view)
3,5,7,4'-tetrahydroxyflavone kaempferol SMILES O{3}C1=C(C2=CC={54}C(O)C=C2)OC3=C({5}C(O)=C{7}C(O)=C3)C1=O CSDB Linear: xXKaempferol 272 compound(s) in CSDB (view)
des-O-methylanhydroicaritin = 8-prenyl-kaempferol SMILES O{3}C1=C(C2=CC={54}C(O)C=C2)OC3=C({5}C(O)=C{7}C(O)=C3C/C=C(C)\C)C1=O 33 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC1=C(C2=CC=C(O)C=C2)OC3=C(C(O)=CC(O)=C3C/C=C(C)\C)C1=O$
3,3′,4′,5,7-pentahydroxyflavylium cyanidin SMILES O{3}C1=C(C2=CC={54}C(O){53}C(O)=C2)[O+]=C3C={7}C(O)C={5}C(O)C3=C1 CSDB Linear: xXCyanidin 108 compound(s) in CSDB (view)
tricin SMILES COC1={54}C(O)C(OC)=CC(C2=CC(C3={5}C(O)C={7}C(O)C=C3O2)=O)=C1 4 compound(s) in CSDB (view)
3,3',4',5,7,8-hexahydroxyflavone gossypetin SMILES O=C1{3}C(O)=C(C2=CC={54}C(O){53}C(O)=C2)OC3={8}C(O){7}C(O)=C{5}C(O)=C31 5 compound(s) in CSDB (view)
3,5,7,4′-tetrahydroxy-3′,5′-dimethoxyflavone syringetin SMILES O{3}C1=C(C2=CC(OC)={54}C(O)C(OC)=C2)OC3=C({5}C(O)=C{7}C(O)=C3)C1=O 4 compound(s) in CSDB (view)
3'-methoxy-5,7,4'-trihydroxy-flavanone SMILES O=C1CC(C2=CC={54}C(O)C(OC)=C2)OC3=C1{5}C(O)=C{7}C(O)=C3 1 compound(s) in CSDB (view)
2R-5,7,8,4'-tetrahydroxy-flavanone SMILES O=C1C[C@H](C2=CC={54}C(O)C=C2)OC3=C1{5}C(O)=C{7}C(O)={8}C3O 1 compound(s) in CSDB (view)
2R,3S-5,7,8,4'-tetrahydroxydihydroflavanol SMILES O{54}C1=CC=C(C=C1)[C@@H]2{3}[C@@H](O)CC3=C(O2){8}C(O)={7}C(O)C={5}C3O 1 compound(s) in CSDB (view)
4'-methoxyquercetin tamarixetin SMILES O=C1{3}C(O)=C(C2=CC=C(OC){53}C(O)=C2)OC3=C1{5}C(O)=C{7}C(O)=C3 3 compound(s) in CSDB (view)
pectolinarigenin SMILES O=C1C=C(C2=CC=C(OC)C=C2)OC3=C1{5}C(O)=C(OC){7}C(O)=C3 1 compound(s) in CSDB (view)
limocitrin SMILES COC1={54}C(O)C=CC(C2={3}C(O)C(C3=C(C(OC)={7}C(O)C={5}C3O)O2)=O)=C1 5 compound(s) in CSDB (view)
sexangularetin SMILES C1={54}C(O)C=CC(C2={3}C(O)C(C3=C(C(OC)={7}C(O)C={5}C3O)O2)=O)=C1 2 compound(s) in CSDB (view)
wogonin SMILES O=C(C=C(C1=CC=CC=C1)O2)C3=C2C(OC)={7}C(O)C={5}C3O 1 compound(s) in CSDB (view)
5,7-dihydroxychromone SMILES O=C1C=COC2=C1{5}C(O)=C{7}C(O)=C2 1 compound(s) in CSDB (view)
5,7,3',4'-tetrahydroxyflavone luteolin SMILES C1=C{54}C(={53}C(C=C1C2=CC(=O)C3={5}C({6}C={7}C({8}C=C3O2)O)O)O)O CSDB Linear: xXLuteolin 90 compound(s) in CSDB (view)
6-hydroxyluteolin SMILES O=C(C1={5}C(O){6}C(O)={7}C(O){8}C=C1O2)C=C2C3=C{53}C(O)={54}C(O)C=C3 10 compound(s) in CSDB (view)
isoswertiajaponin
5,7,4'-trihydroxyflavone apigenin SMILES C1=C{54}C(=CC=C1C2=CC(=O)C3={5}C({6}C={7}C({8}C=C3O2)O)O)O CSDB Linear: xXApigenin 132 compound(s) in CSDB (view)
vitexin CSDB Linear: bDGlcp(1C-8)xXApigenin 1 compound(s) in CSDB (view)
isovitexin CSDB Linear: bDGlcp(1C-6)Subst // Subst = naringenin = SMILES O=C1C=C(C2=CC={54}C(O)C=C2)OC3=C{7}C(O)=C{5}C(O)=C13
2,2′-dimethoxy-7-hydroxy-4′,5′-methylenedioxy-isoflav-3-ene SMILES O{7}C1=CC2=C(C=C1)C=C(C3=CC4=C(OCO4)C=C3OC)C(OC)O2 1 compound(s) in CSDB (view)
2′-methoxy-7-hydroxy-4′,5′-methylenedioxyisoflav-3-ene judaicin SMILES O{7}C1=CC2=C(C=C1)C=C(C3=CC4=C(OCO4)C=C3OC)CO2 2 compound(s) in CSDB (view)
5,2'-dihydroxy-7,8,6'-trimethoxyflavone SMILES O=C1C=C(C2=C(OC)C=CC=C2OC)OC3=C1{5}C(O)=C{7}C(O)={8}C3O 1 compound(s) in CSDB (view)
6,8-dihydroxy-4,5-dimethyl-3-methyleneisochroman-1-one halorosellin B aglycon SMILES O=C3O/C(=C)C(c2c3{8}c(O)c{6}c(O)c2C)C 4 compound(s) in CSDB (view)
(2R)-4',7-dihydroxyflavanone (2R)-liquiritigenin SMILES O=C1C(C=C{7}C(O)=C2)=C2O[C@@H](C3=CC={54}C(O)C=C3)C1 1 compound(s) in CSDB (view)
(2S)-4',7-dihydroxyflavanone (2S)-liquiritigenin SMILES O=C1C(C=C{7}C(O)=C2)=C2O[C@H](C3=CC={54}C(O)C=C3)C1 6 compound(s) in CSDB (view)
4'-methoxy-5,7,3'-trihydroxyflavone diosmetin SMILES COC1={53}C(O)C=C(C2=CC(C3={5}C(O){6}C={7}C(O){8}C=C3O2)=O)C=C1 13 compound(s) in CSDB (view)
5,2'-dihydroxy-7-methoxyflavone echioidinin SMILES COC1=C{5}C(O)=C2C(OC(C3=CC=CC={52}C3O)=CC2=O)=C1 2 compound(s) in CSDB (view)
3,5,6,7,4'-pentahydroxyflavone 6-hydroxykaempferol SMILES O=C(C1=C(C={7}C(O){6}C(O)={5}C1O)O2){3}C(O)=C2C3=CC={54}C(O)C=C3 6 compound(s) in CSDB (view)
5,6,7,8,4'-pentahydroxyflavone nortangeretin SMILES O=C(C1={5}C(O){6}C(O)={7}C(O){8}C(O)=C1O2)C=C2C3=CC={54}C(O)C=C3 4 compound(s) in CSDB (view)
5,6,7,4'-tetrahydroxyflavone scutellarein = 6-hydroxyapigenin SMILES O=C(C1=C(C={7}C(O){6}C(O)={5}C1O)O2)C=C2C3=CC={54}C(O)C=C3 13 compound(s) in CSDB (view)
5,6,7,3',4',5'-hexahydroxyflavone SMILES O=C(C1=C(C={7}C(O){6}C(O)={5}C1O)O2)C=C2C3=C{53}C(O)={54}C(O){55}C(O)=C3 1 compound(s) in CSDB (view)
5,7,8,4'-tetrahydroxyflavone isoscutellarein = 8-hydroxyapigenin SMILES O=C(C1=C({8}C(O)={7}C(O){6}C={5}C1O)O2)C=C2C3=CC={54}C(O)C=C3 6 compound(s) in CSDB (view)
eriodictyol SMILES O=C1C[C@H](OC2=C1{5}C(O)=C{7}C(O)=C2)C3=C{53}C(O)={54}C(O)C=C3 17 compound(s) in CSDB (view)
4'-hydroxyflavanone SMILES O=C1CC(OC2=C1C=CC=C2)C3=CC={54}C(C=C3)O 4 compound(s) in CSDB (view)
3',4'-dihydroxyflavanone SMILES O=C1CC(OC2=C1C=CC=C2)C3=CC={54}C({53}C(O)=C3)O 1 compound(s) in CSDB (view)
3-hydroxyflavone flavonol SMILES O=C1{3}C(O)=C(OC2=C1C=CC=C2)C3=CC=CC=C3 6 compound(s) in CSDB (view)
8-prenylnaringenin flavaprenin SMILES C/C(C)=C\CC1={7}C(O)C={5}C(O)C2=C1O[C@@H](CC2=O)C3=CC={54}C(O)C=C3 6 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C(O)C=C(O)C2=C1O[C@@H](CC2=O)C3=CC=C(O)C=C3$
7-hydroxyflavanone SMILES O=C1CC(OC2=C1C=C{7}C(O)=C2)C3=CC=CC=C3 3 compound(s) in CSDB (view)
6-hydroxyflavanone SMILES O=C1CC(OC2=C1C={6}C(O)C=C2)C3=CC=CC=C3 2 compound(s) in CSDB (view)
6-hydroxyflavone SMILES O=C1C=C(OC2=C1C={6}C(O)C=C2)C3=CC=CC=C3 3 compound(s) in CSDB (view)
7-hydroxyflavone SMILES O=C1C=C(OC2=C1C=C{7}C(O)=C2)C3=CC=CC=C3 4 compound(s) in CSDB (view)
4'-hydroxy-6-methylflavone SMILES O=C1C=C(OC2=C1C=C(C)C=C2)C3=CC={54}C(O)C=C3 1 compound(s) in CSDB (view)
8-hydroxy-6-methylflavone SMILES O=C1C=C(OC2=C1C=C(C)C={8}C2O)C3=CC=CC=C3 1 compound(s) in CSDB (view)
5,7-dihydroxyflavone chrysin SMILES O=C1C=C(OC2=C1{5}C(O)=C{7}C(O)=C2)C3=CC=CC=C3 7 compound(s) in CSDB (view)
6-prenylapigenin SMILES C/C(C)=C\CC1={5}C(O)C2=C(OC(C3=CC={54}C(O)C=C3)=CC2=O)C={7}C1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C(O)C2=C(OC(C3=CC=C(O)C=C3)=CC2=O)C=C1O$
8-prenylapigenin SMILES C/C(C)=C\CC1={7}C(O)C={5}C(O)C2=C1OC(C3=CC={54}C(O)C=C3)=CC2=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C(O)C=C(O)C2=C1OC(C3=CC=C(O)C=C3)=CC2=O$
isoxanthohumol SMILES C/C(C)=C\CC1=C2C(C(CC(C3=CC={54}C(O)C=C3)O2)=O)=C(OC)C={7}C1O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C2C(C(CC(C3=CC=C(O)C=C3)O2)=O)=C(OC)C=C1O$
2',4',7-trihydroxy-8-[2-hydroxyethyl]-(2S)-flavan SMILES O{10}CCC1={7}C(C=CC2=C1O[C@H](C3={52}C(O)C={54}C(O)C=C3)CC2)O 3 compound(s) in CSDB (view)
2',5'-dihydroxyflavanone SMILES O=C1CC(OC2=C1C=CC=C2)C3={52}C(O)C=C{55}C(O)=C3 1 compound(s) in CSDB (view)
2'-hydroxyflavanol SMILES O{52}C1=C(C=CC=C1)C2C{4}C(O)C3=C(C=CC=C3)O2 1 compound(s) in CSDB (view)
2'-hydroxyflavone SMILES O=C1C=C(OC2=C1C=CC=C2)C3={52}C(O)C=CC=C3 1 compound(s) in CSDB (view)
4'-hydroxyflavan-4(S)-ol SMILES O{54}C1=CC=C(C=C1)C2C{4}[C@@H](C3=C(O2)C=CC=C3)O 1 compound(s) in CSDB (view)
3',4'-dihydroxy-6-hydroxymethylflavanone SMILES O=C1CC(OC2=C1C=C({9}CO)C=C2)C3=CC={54}C({53}C(O)=C3)O 1 compound(s) in CSDB (view)
3',4'-dihydroxy-6-methylflavanone SMILES CC1=CC2=C(C=C1)OC(CC2=O)C3=CC={54}C({53}C(O)=C3)O 1 compound(s) in CSDB (view)
3',4'-dihydroxyflavone SMILES O=C1C=C(OC2=C1C=CC=C2)C3=CC={54}C({53}C(O)=C3)O 1 compound(s) in CSDB (view)
3'-hydroxyflavanol SMILES O{53}C1=CC(C2C{4}C(C3=C(O2)C=CC=C3)O)=CC=C1 1 compound(s) in CSDB (view)
6″,7″-dihydroxycannflavin A SMILES C/C(CC{106}[C@@H]({107}C(C)(O)C)O)=C\CC1={5}C(O)C2=C(OC(C3=CC={54}C(C(OC)=C3)O)=CC2=O)C={7}C1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(CC[C@@H](C(C)(O)C)O)=C\CC1=C(O)C2=C(OC(C3=CC=C(C(OC)=C3)O)=CC2=O)C=C1O$
cannflavin B SMILES C/C(C)=C\CC1={5}C(O)C2=C(OC(C3=CC={54}C(C(OC)=C3)O)=CC2=O)C={7}C1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C(O)C2=C(OC(C3=CC=C(C(OC)=C3)O)=CC2=O)C=C1O$
3'-hydroxy-6-hydroxymethylflavanone SMILES O=C1CC(OC2=C1C=C({9}CO)C=C2)C3=CC=C{53}C(O)=C3 1 compound(s) in CSDB (view)
4'-hydroxy-6-hydroxymethylflavanone SMILES O=C1CC(OC2=C1C=C({9}CO)C=C2)C3=CC={54}C(C=C3)O 1 compound(s) in CSDB (view)
4'-hydroxy-6-methylflavanone SMILES CC1=CC2=C(C=C1)OC(CC2=O)C3=CC={54}C(C=C3)O 1 compound(s) in CSDB (view)
4'-hydroxyflavone SMILES O=C1C=C(OC2=C1C=CC=C2)C3=CC={54}C(C=C3)O 1 compound(s) in CSDB (view)
3,4'-dihydroxyflavone SMILES O=C1{3}C(O)=C(OC2=C1C=CC=C2)C3=CC={54}C(C=C3)O 1 compound(s) in CSDB (view)
5,4'-dihydroxyflavone SMILES O=C1C=C(OC2=C1{5}C(O)=CC=C2)C3=CC={54}C(C=C3)O 2 compound(s) in CSDB (view)
3,6,2'-trihydroxyflavonol SMILES O=C1C2=C{6}C(O)=CC=C2OC(C3={52}C(C=CC=C3)O)={3}C1O 1 compound(s) in CSDB (view)
6,3',4'-trihydroxyflavanone SMILES O=C1CC(OC2=C1C={6}C(O)C=C2)C3=CC={54}C({53}C(O)=C3)O 3 compound(s) in CSDB (view)
6,3',4'-trihydroxyflavone SMILES O=C1C=C(OC2=C1C={6}C(O)C=C2)C3=CC={54}C({53}C(O)=C3)O 1 compound(s) in CSDB (view)
6,3'-dihydroxyflavanone SMILES O=C1CC(OC2=C1C={6}C(O)C=C2)C3=CC=C{53}C(O)=C3 1 compound(s) in CSDB (view)
6,3'-dihydroxyflavone SMILES O=C1C=C(OC2=C1C={6}C(O)C=C2)C3=CC=C{53}C(O)=C3 1 compound(s) in CSDB (view)
6,4'-dihydroxyflavanone SMILES O=C1CC(OC2=C1C={6}C(O)C=C2)C3=CC={54}C(C=C3)O 3 compound(s) in CSDB (view)
6,4'-dihydroxyflavone SMILES O=C1C=C(OC2=C1C={6}C(O)C=C2)C3=CC={54}C(C=C3)O 1 compound(s) in CSDB (view)
7,8-dihydroxyflavanone SMILES O=C1CC(OC2=C1C=C{7}C(O)={8}C2O)C3=CC=CC=C3 1 compound(s) in CSDB (view)
5,6,7,4'-tetrahydroxyisoflavone 6-hydroxy-genistein SMILES O=C1C(C2=CC={54}C(C=C2)O)=COC3=C1{5}C(O)={6}C(O){7}C(O)=C3 8 compound(s) in CSDB (view)
5,7,2',3',4',5'-hexahydroxyflavone SMILES O=C1C=C(OC2=C1{5}C(O)=C{7}C(O)=C2)C3={52}C(O){53}C(O)={54}C(O){55}C(O)=C3 1 compound(s) in CSDB (view)
5,6,7,2',3',4',5'-heptahydroxyflavone SMILES O=C1C=C(OC2=C1{5}C(O)={6}C(O){7}C(O)=C2)C3={52}C(O){53}C(O)={54}C(O){55}C(O)=C3 1 compound(s) in CSDB (view)
aromadendrin = katuranin SMILES O{3}[C@@H]1[C@@H](C2=CC={54}C(O)C=C2)OC3=C{7}C(O)=C{5}C(O)=C3C1=O 1 compound(s) in CSDB (view)
3,3',4',7-tetrahydroxyflavone fisetin SMILES O=C1{3}C(O)=C(OC2=C1C=C{7}C(O)=C2)C3=CC={54}C({53}C(O)=C3)O 4 compound(s) in CSDB (view)
noricaritin SMILES C{11}C(CCC1=C2C(C({3}C(O)=C(C3=CC={54}C(O)C=C3)O2)=O)={5}C(O)C={7}C1O)(O)C 1 compound(s) in CSDB (view)
5,7-dihydroxyflavanone pinocembrin SMILES O=C1CC(OC2=C1{5}C(O)=C{7}C(O)=C2)C3=CC=CC=C3 6 compound(s) in CSDB (view)
(+)-taxifolin = distylin SMILES O{3}[C@@H]1[C@H](OC2=C{7}C(O)=C{5}C(O)=C2C1=O)C3=C{53}C(O)={54}C(C=C3)O 6 compound(s) in CSDB (view)
(-)-taxifolin SMILES O{3}[C@H]1[C@@H](OC2=C{7}C(O)=C{5}C(O)=C2C1=O)C3=C{53}C(O)={54}C(C=C3)O 1 compound(s) in CSDB (view)
(-)-epitaxifolin SMILES O{3}[C@H]1[C@H](OC2=C{7}C(O)=C{5}C(O)=C2C1=O)C3=C{53}C(O)={54}C(C=C3)O 1 compound(s) in CSDB (view)
6,8-dimethyl-5,7,2',5'-tetrahydroxyflavanone SMILES Cc3{7}c(O)c(C)c2OC(c1c{55}c(O)cc{52}c1O)CC(=O)c2{5}c3O 4 compound(s) in CSDB (view)
(2R:3R)-dihydroquercetin SMILES O=C3c1{5}c(O)c{7}c(O)cc1OC(c2cc{54}c(O){53}c(O)c2){3}C3O 2 compound(s) in CSDB (view)
5,7,8,4'-tetrahydroxy-dihydroflavanol SMILES O=C1C(O)C(C2=CC={54}C(O)C=C2)OC3=C1{5}C(O)=C{7}C(O)={8}C3O 1 compound(s) in CSDB (view)
3,4',5,7-tetrahydroxyflavanone dihydrokaempferol SMILES C1=C{54}C(=CC=C1C2{3}C(C(=O)C3={5}C(C={7}C(C=C3O2)O)O)O)O 1 compound(s) in CSDB (view)
5,7,3',4',5'-pentahydroxyflavone tricetin SMILES O=c1cc(-c2c{53}c(O){54}c(O){55}c(O)c2)oc2c{7}c(O)c{5}c(O)c12 8 compound(s) in CSDB (view)
3,4',5,7,8-pentahydroxyflavone herbacetin SMILES O=c1{3}c(O)c(-c2ccc{54}(O)cc2)oc2{8}c(O){7}c(O)c{5}c(O)c12 2 compound(s) in CSDB (view)
5,7,2',6'-tetrahydroxyflavonol SMILES O=c1{3}c(O)c(-c2{56}c(O)ccc{52}c2O)oc2c{7}c(O)c{5}c(O)c12 1 compound(s) in CSDB (view)
5,7-dihydroxy-6-methoxyflavone oroxylin A SMILES COc1{7}c(O)cc2oc(-c3ccccc3)cc(=O)c2{5}c1O 2 compound(s) in CSDB (view)
5,7,2',3',5',6'-hexahydroxyflavone SMILES O=c1cc(-c2{52}c(O){53}c(O)c{55}c(O){56}c2O)oc2c{7}c(O){6}c{5}c(O)c12 1 compound(s) in CSDB (view)
3R-phyllodulcin SMILES O=C1C2={8}C(O)C=CC=C2C[C@@](C3=C{3}C(O)=C(OC)C=C3)([H])O1 1 compound(s) in CSDB (view)
3S-phyllodulcin SMILES O=C1C2={8}C(O)C=CC=C2C[C@](C3=C{3}C(O)=C(OC)C=C3)([H])O1 2 compound(s) in CSDB (view)
3R-thunberginol H SMILES O{8}C1=C(C2=O)C(C[C@@](C3=CC=C(OC)C(OC)=C3)([H])O2)=CC=C1 1 compound(s) in CSDB (view)
3S-thunberginol H SMILES O{8}C1=C(C2=O)C(C[C@](C3=CC=C(OC)C(OC)=C3)([H])O2)=CC=C1 1 compound(s) in CSDB (view)
3R-thunberginol I SMILES O{8}C1=C(C2=O)C(C[C@@](C3=CC={4}C(O)C(OC)=C3)([H])O2)=CC=C1 2 compound(s) in CSDB (view)
3S-thunberginol I SMILES O{8}C1=C(C2=O)C(C[C@](C3=CC={4}C(O)C(OC)=C3)([H])O2)=CC=C1 2 compound(s) in CSDB (view)
3R-hydrangenol SMILES O{8}C1=C(C2=O)C(C[C@@](C3=CC={54}C(O)C=C3)([H])O2)=CC=C1 3 compound(s) in CSDB (view)
3S-hydrangenol SMILES O{8}C1=C(C2=O)C(C[C@](C3=CC={54}C(O)C=C3)([H])O2)=CC=C1 3 compound(s) in CSDB (view)
thunberginol I SMILES O{8}C1=C(C2=O)C(CC(C3=CC={4}C(O)C(OC)=C3)O2)=CC=C1 2 compound(s) in CSDB (view)
3,5,7,3',4',6'-hexahydroxyflavone 5'-hydroxymorin SMILES O=c1{3}c(O)c(-c2c{53}c(O){54}c(O)c{52}c2O)oc2c{7}c(O){6}c{5}c(O)c12 1 compound(s) in CSDB (view)
6-trans-2-hydroxyvinyl-5,7,4'-trihydroxyflavone SMILES O=c1cc(-c2cc{54}c(O)cc2)oc2c{7}c(O)c(/C={2}C/O){5}c(O)c12 1 compound(s) in CSDB (view)
4',5,7-trihydroxy-6-methoxyflavone hispidulin SMILES COc1{7}c(O)cc2oc(-c3cc{54}c(O)cc3)cc(=O)c2{5}c1O 5 compound(s) in CSDB (view)
5,7,3',4'-tetrahydroxy-6-methoxyflavone nepetin SMILES COc1{7}c(O)cc2oc(-c3cc{54}c(O){53}c(O)c3)cc(=O)c2{5}c1O 2 compound(s) in CSDB (view)
5-hydroxy-7,8-dimethoxyflavone SMILES COc3c{5}c(O)c2c(=O)cc(c1ccccc1)oc2c3OC 1 compound(s) in CSDB (view)
2',5-dihydroxy-7,8-dimethoxyflavone skullcapflavone I SMILES COc1c{5}c(O)c2c(=O)cc(-c3cccc{52}c3O)oc2c1OC 3 compound(s) in CSDB (view)
5,3'-dihydroxy-7,4',5'-trimethoxyflavone lethedocine SMILES COc1c{5}c(O)c2c(=O)cc(-c3c{53}c(O)c(OC)c(OC)c3)oc2c1 1 compound(s) in CSDB (view)
3',4',5,6,7-pentahydroxyisoflavone SMILES O=c1c(-c2cc{54}c(O){53}c(O)c2)coc2c{7}c(O){6}c(O){5}c(O)c12 1 compound(s) in CSDB (view)
4',6,7-trihydroxyisoflavone 6-hydroxydaidzein SMILES O=c1c(-c2cc{54}c(O)cc2)coc2c{7}c(O){6}c(O)cc12 6 compound(s) in CSDB (view)
5,6,7,2'-tetrahydroxyflavone SMILES O=c1cc(-c2cccc{52}c2O)oc2c{7}c(O){6}c(O){5}c(O)c12 3 compound(s) in CSDB (view)
3,5,6,7,8-pentahydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one 6,8-dihydroxyisorhamnetin SMILES COc3cc(c2oc1{8}c(O){7}c(O){6}c(O){5}c(O)c1c(=O){3}c2O)cc{54}c3O 1 compound(s) in CSDB (view)
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-chromanediol fisetinidol SMILES O{7}c1ccc2c(c1)O[C@H](c1cc{54}c(O){53}c(O)c1){3}[C@@H](O)C2 1 compound(s) in CSDB (view)
7-hydroxy-3-(3-hydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl)-5-methoxy-4H-1-benzopyran-4-one 5,4'-dimethoxy-3'-prenylbiochanin SMILES COc2c{7}c(O)cc3occ(c1c{53}c(O)c(OC)c(C/C=C(C)/C)c1)c(=O)c23 2 compound(s) in CSDB (view)
2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one mearnsetin SMILES COc1{53}c(O)cc(-c2oc3c{7}c(O)c{5}c(O)c3c(=O){3}c2O)c{55}c1O 1 compound(s) in CSDB (view)
2'-C-methylmyricetin SMILES Cc1c(-c2oc3c{5}c(O)c{7}c(O)c3c(=O){3}c2O)c{55}c(O){54}c(O){53}c1O 1 compound(s) in CSDB (view)
5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one irisolidone SMILES COc3ccc(c2coc1c{7}c(O)c(OC){5}c(O)c1c2=O)cc3 1 compound(s) in CSDB (view)
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one caflanone SMILES COc3cc(c2cc(=O)c1{5}c(O)c{7}c(O)c(C/C=C(C)/C)c1o2)cc{54}c3O 2 compound(s) in CSDB (view)
(2R,3S,4R)-2-(3,4,5-trihydroxyphenyl)-3,4,5,7-chromanetetrol SMILES O{7}c1c{5}c(O)c3c({8}c1)O[C@H](c2c{55}c(O){54}c(O){53}c(O)c2){3}[C@@H](O){4}[C@@H]3O 1 compound(s) in CSDB (view)
(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,4,5,7-chromanetetrol SMILES O{7}c1c{5}c(O)c3c({8}c1)O[C@H](c2cc{54}c(O){53}c(O)c2){3}[C@@H](O){4}[C@@H]3O 2 compound(s) in CSDB (view)
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,4,5,7-chromanetetrol SMILES O{7}c1c{5}c(O)c3c({8}c1)O[C@H](c2cc{54}c(O){53}c(O)c2){3}[C@H](O){4}[C@H]3O 2 compound(s) in CSDB (view)
(2R,3R,4S)-2-(3,4,5-trihydroxyphenyl)-3,4,5,7-chromanetetrol SMILES O{7}c1c{5}c(O)c3c({8}c1)O[C@H](c2c{55}c(O){54}c(O){53}c(O)c2){3}[C@H](O){4}[C@H]3O 4 compound(s) in CSDB (view)
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one orobol SMILES O=c1c(-c2cc{54}c(O){53}c(O)c2)coc2c{7}c(O)c{5}c(O)c12 3 compound(s) in CSDB (view)
2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4H-chromen-4-one hypolaetin SMILES O=c1cc(-c2cc{54}c(O){53}c(O)c2)oc2{8}c(O){7}c(O)c{5}c(O)c12 6 compound(s) in CSDB (view)
5,7-dihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-chromen-4-one 3'-prenylapigenine SMILES C/C(C)=C\Cc3cc(c2cc(=O)c1{5}c(O)c{7}c(O)cc1o2)cc{54}c3O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\Cc3cc(c2cc(=O)c1c(O)cc(O)cc1o2)ccc3O$
icariside B2 aglycon SMILES O{3}[C@@H]1C[C@@]2(C)O[C@@]2(/C=C/C(C)=O)C(C)(C)C1 3 compound(s) in CSDB (view)
icariside B3 aglycon SMILES CC(/C=C/[C@]12C(C)(C){2}[C@H](O){3}[C@H](O)C[C@@]1(C)O2)=O 1 compound(s) in CSDB (view)
icariside B4 aglycon SMILES CC(CCC1=C(C)C{3}[C@@H](O)C[C@]1(C){12}CO)=O 1 compound(s) in CSDB (view)
3R,6R-3-methoxy-α-ionone SMILES CC1(C)[C@@H](/C=C/C(C)=O)C(C)=C{3}[C@H](O)C1 1 compound(s) in CSDB (view)
3-hydroxy-dihydro-β-ionone SMILES O{3}[C@H]1CC(C)(C)C(CCC(C)=O)=C(C)C1 2 compound(s) in CSDB (view)
3β,4β-dihydroxy-7,8-dihydro-β-ionone SMILES CC1=C(CCC(C)=O)C(C)(C)C{4}[C@@H](O){3}[C@H]1O 1 compound(s) in CSDB (view)
blumenol B SMILES O=C1CC(C)(C){6}[C@](CC{9}[C@@H](C)O)(O)C(C)=C1 1 compound(s) in CSDB (view)
5,6-epoxy-9-hydroxyionol SMILES C{9}[C@H](O)/C=C/[C@]12[C@](C{3}[C@@H](O)CC2(C)C)(C)O1 2 compound(s) in CSDB (view)
6R,9R-dihydroxy-3-keto-ionol-4-ene SMILES CC1=CC(CC(C)(C){6}[C@]1(O)/C=C/{9}[C@H](O)C)=O 2 compound(s) in CSDB (view)
6,10-dihydroxy-3,9-diketo-ionol-4-en SMILES CC1=CC(CC(C)(C){6}[C@@]1(O)/C=C/C({10}CO)=O)=O 2 compound(s) in CSDB (view)
6R,9S-3-oxo-α-ionol SMILES O=C1CC(C)([C@H](C(C)=C1)/C=C/{9}[C@H](C)O)C 3 compound(s) in CSDB (view)
6R,9R-3-oxo-α-ionol SMILES O=C1CC(C)([C@H](C(C)=C1)/C=C/{9}[C@@H](C)O)C 6 compound(s) in CSDB (view)
3-oxo-α-ionol SMILES CC1=CC(CC(C)(C)C1/C=C/{9}C(O)C)=O 1 compound(s) in CSDB (view)
6S,9S-6-hydroxy-3-oxo-α-ionol (6S,9S)-vomifoliol = corchoionol C SMILES O=C1CC(C)({6}[C@@](C(C)=C1)(O)/C=C/{9}[C@H](C)O)C 5 compound(s) in CSDB (view)
6S,9R-6-hydroxy-3-oxo-α-ionol = (6S,7E,9R)-6,9-dihydroxy-4,7-megastigmadien-3-one vomifoliol SMILES O=C1CC(C)({6}[C@@](C(C)=C1)(O)/C=C/{9}[C@@H](C)O)C 4 compound(s) in CSDB (view)
(3S,5R,6S,7E,9R)-5,6-epoxy-3,9-dihydroxy-7-megastigmene SMILES C{9}[C@@H](O)/C=C/[C@@]12O[C@]1(C)C{3}[C@@H](O)C[C@@]2(C)C 3 compound(s) in CSDB (view)
5α-stigmasta-7,22-dien-3β-ol chondrillasterol SMILES CC[C@@H](/C=C/[C@@H](C)[C@H]4CC[C@H]3/C2=C/C[C@H]1C{3}[C@@H](O)CC[C@]1(C)[C@H]2CC[C@@]34C)C(C)C 2 compound(s) in CSDB (view)
stigma-5-ene-3β-ol SMILES CC[C@H](CC[C@@H](C)[C@H]3CCC4C2C/C=C\1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@]34C)C(C)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC[C@H](CC[C@@H](C)[C@H]3CCC4C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2CC[C@]34C)C(C)C$
5,25-stigmastadienol SMILES C=C(C)[C@@H](CC[C@H](C)C3CCC4C2C/C=C\1C{3}[C@@H](O)CC[C@]1(C)C2CC[C@]34C)C(C)C 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C(C)[C@@H](CC[C@H](C)C3CCC4C2C/C=C\1C[C@@H](O)CC[C@]1(C)C2CC[C@]34C)C(C)C$
6R,9R-3-oxo-7,8-dihydro-α-ionol blumenol C SMILES O=C1CC(C)([C@H](C(C)=C1)CC{9}[C@@H](C)O)C 6 compound(s) in CSDB (view)
dendranthemoside A aglycon SMILES O{3}[C@@H]1CC(C)(C){7}[C@](/C=C/{9}[C@H](O)C)(O)[C@H](C)C1 1 compound(s) in CSDB (view)
icariside E4 aglycon SMILES O{54}C1=CC=C([C@@H]2OC3=C(C=C(CCCO)C=C3OC)[C@H]2CO)C=C1OC 1 compound(s) in CSDB (view)
5-hydroxycanthin-6-one SMILES O=C(N1C2=C3C=CC=C2){5}C(O)=CC4=C1C3=CC=N4 1 compound(s) in CSDB (view)
11-hydroxycanthin-6-one SMILES O=C(N1C2=C3{11}C(O)=CC=C2)C=CC4=C1C3=CC=N4 1 compound(s) in CSDB (view)
3,3',4,9,9'-pentahydroxy-4'7-epoxy-5',8-lignan SMILES O{59}CCCC1=C{53}C(O)=C2C(C({9}CO)[C@@H](C3=C{3}C(OC)={4}C(O)C=C3)O2)=C1 1 compound(s) in CSDB (view)
borneol SMILES CC1(C)C2(C)CCC1C{2}C2O 1 compound(s) in CSDB (view)
l-borneol SMILES CC1(C2(CCC1C{2}[C@H]2O)C)C 2 compound(s) in CSDB (view)
germacra-1(10),4(5)-dien-2α,6α,7β,11β-olide SMILES O{2}[C@@H]1/C=C(C)/CCC([C@@]2(C)[H])[C@H](OC2=O)/C=C(C)/C1 1 compound(s) in CSDB (view)
urospermal A SMILES O=C(C1=C)O[C@@H]([C@H]1[C@H](C/C(C=O)=C\CC2)O)/C=C2\{15}CO 5 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(C1=C)O[C@@H]([C@H]1[C@H](C/C(C=O)=C\CC2)O)/C=C2\CO$
(R)-peucedanol SMILES C{53}C({52}[C@H](O)CC1={7}C(O)C=C2C(C=CC(O2)=O)=C1)(O)C 3 compound(s) in CSDB (view)
(S)-peucedanol SMILES C{53}C({52}[C@@H](O)CC1={7}C(O)C=C2C(C=CC(O2)=O)=C1)(O)C 5 compound(s) in CSDB (view)
marmesin SMILES C{54}C(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O 4 compound(s) in CSDB (view)
3'R-hydroxymarmesin SMILES O=C1OC2=CC3=C({53}[C@@H](O)[C@@H]({54}C(O)(C)C)O3)C=C2C=C1 1 compound(s) in CSDB (view)
oxymarmesin SMILES O=C1OC2=CC3=C(C[C@@H]({54}C(O)(C){55}CO)O3)C=C2C=C1 1 compound(s) in CSDB (view)
4"-hydroxyimperatorin SMILES O=C1OC2=C(OC/C=C({104}CO)\C)C3=C(C=CO3)C=C2C=C1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C1OC2=C(OC/C=C(CO)\C)C3=C(C=CO3)C=C2C=C1$
5"-hydroxyimperatorin SMILES O=C1OC2=C(OC/C=C(C)\{105}CO)C3=C(C=CO3)C=C2C=C1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C1OC2=C(OC/C=C(C)\CO)C3=C(C=CO3)C=C2C=C1$
platyphyllone SMILES O{5}[C@H](CC(CCC1=CC={54}C(O)C=C1)=O)CCC2=CC={104}C(O)C=C2 3 compound(s) in CSDB (view)
vanillic acid SMILES COC1=CC({7}C(O)=O)=CC={4}C1O 11 compound(s) in CSDB (view)
guaianolide 1 SMILES C=C(C{8}[C@@H](O)C1[C@@H]2OC(C1=C)=O)[C@@]3([H])[C@]2([H])C({3}[C@@H](O)C3)=C 1 compound(s) in CSDB (view)
11β,13-dihydrointegrifolin SMILES C=C(C{8}[C@@H](O)C1[C@@H]2OC([C@H]1C)=O)[C@@]3([H])[C@]2([H])C({3}[C@@H](O)C3)=C 1 compound(s) in CSDB (view)
patriscabrol SMILES C[C@@H]1[C@H]2C{7}[C@H](O){8}[C@@](C)(O)[C@H]2COC1=O 3 compound(s) in CSDB (view)
isopatriscabrol SMILES C[C@H]1[C@H]2C{7}[C@H](O){8}[C@@](C)(O)[C@H]2COC1=O 2 compound(s) in CSDB (view)
eugenol SMILES COC1=CC(CC=C)=CC={1}C1O 14 compound(s) in CSDB (view)
D-mandelonitrile SMILES O{7}[C@H](C1=CC=CC=C1)C#N 17 compound(s) in CSDB (view)
16α,17-dihydroxy-16,17-dihydrogibberellin A4 SMILES C[C@@]12[C@@H](O)CC[C@]3(OC2=O)[C@@H]1[C@H](C(O)=O)[C@]45[C@H]3CC[C@@H]({16}[C@@](C5)(O){17}CO)C4 1 compound(s) in CSDB (view)
cynaroside A aglycon SMILES C[C@@H]1{3}[C@@H](O)C[C@]2([H])[C@@]1([H])[C@@H]3[C@H]({11}[C@]({13}CO)(O)C(O3)=O)CCC2=C 1 compound(s) in CSDB (view)
8,11β,13-trihydrodesacylcynaropicrin SMILES C=C1{3}[C@@H](O)C[C@]2([H])[C@@]1([H])[C@@H]3[C@H]([C@H](C)C(O3)=O){8}[C@@H](O)CC2=C 1 compound(s) in CSDB (view)
8-epidesacylcynaropicrin SMILES C=C1C{8}[C@@H](O)[C@@H]2[C@H](OC(C2=C)=O)[C@@H]3[C@H]1C{3}[C@H](O)C3=C 7 compound(s) in CSDB (view)
4,15,11,13-tetrahydro-8-epidesacylcynaropicrin SMILES C=C1C{8}[C@@H](O)[C@@H]2[C@H](OC([C@H]2C)=O)[C@@H]3[C@H]1C{3}[C@H](O)[C@H]3C 1 compound(s) in CSDB (view)
5,6-epoxy-5,6-dihydro-3-hydroxy-β-ionol SMILES C{1}[CH:1](O)/C=C/C12OC1(C)C{12}C(O)CC2(C)C 1 compound(s) in CSDB (view)
3β,4β-dihydroxy-7,8-dihydro-β-ionol SMILES C/C1=C(CC{8}C(C)O)/C(C)(C)C{3}[C@@H](O){4}[C@H]1O 1 compound(s) in CSDB (view)
4-oxo-β-ionol SMILES CC1=C(C(CCC1=O)(C)C)/C=C/{3}C(C)O 2 compound(s) in CSDB (view)
3-(4-hydroxyphenyl)-propionic acid SMILES O={9}C(O)CCC1=CC={4}C(O)C=C1 6 compound(s) in CSDB (view)
3-phenylpropanoic acid SMILES O={1}C(CCC1=CC=CC=C1)O 6 compound(s) in CSDB (view)
3-hydroxy-3-phenylpropanoic acid SMILES O={1}C(C{3}C(O)C1=CC=CC=C1)O 1 compound(s) in CSDB (view)
(Z)-3-(4-hydroxyphenyl)acrylic acid cis-p-coumaric acid SMILES O={9}C(O)/C=C\c1cc{4}c(O)cc1 32 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)/C=C\c1ccc(O)cc1$
1-(3,4-dihydroxyphenyl)-propan-1-one SMILES CCC(C1=CC={4}C(O){3}C(O)=C1)=O 1 compound(s) in CSDB (view)
3-(6-hydroxybenzofuran-5-yl)-propionic acid SMILES O{6}C1=C(CC{11}C(O)=O)C=C(C=CO2)C2=C1 3 compound(s) in CSDB (view)
2,4-dihydroxyphenol SMILES O{4}C1=CC={1}C(O){2}C(O)=C1 9 compound(s) in CSDB (view)
1,2,3,5-tetrahydroxybenzene 5-hydroxypyrogallol SMILES {1}OC1={2}C(O){3}C(O)=C{5}C(O)=C1 9 compound(s) in CSDB (view)
5-(hydroxymethyl)benzene-1,2,3-triol SMILES O{7}CC1=C{3}C(O)={4}C(O){5}C(O)=C1 3 compound(s) in CSDB (view)
4-aminophenol SMILES NC1=CC={1}C(O)C=C1 2 compound(s) in CSDB (view)
ferulic aldehyde SMILES COC1={4}C(O)C=CC(/C=C/C=O)=C1 1 compound(s) in CSDB (view)
ferulic alcohol coniferol SMILES COC1=CC(/C=C/{9}CO)=CC={4}C1O 6 compound(s) in CSDB (view)
phenylethanol SMILES O{1}CCC1=CC=CC=C1 24 compound(s) in CSDB (view)
2-(4-hydroxyphenyl)-ethanol tyrosol SMILES O{8}CCC1=CC={4}C(O)C=C1 29 compound(s) in CSDB (view)
2-(2-hydroxyphenyl)-ethanol SMILES O{2}C1=CC=CC=C1C{8}CO 3 compound(s) in CSDB (view)
2-(3-hydroxyphenyl)-ethanol SMILES C1={3}C(O)C=CC=C1C{8}CO 1 compound(s) in CSDB (view)
2-(3,4-dihydroxyphenyl)-ethanol hydroxytyrosol SMILES O{8}CCC1=C{3}C(O)={4}C(O)C=C1 CSDB Linear: xX3,4,8HOPhet 200 compound(s) in CSDB (view)
guaiacylglycerol SMILES O{7}C(C1=CC={4}C(O)C(OC)=C1){8}C(O){9}CO 4 compound(s) in CSDB (view)
threo-syringoylglycerol SMILES O{7}[C@H](C1=CC(OC)={4}C(O)C(OC)=C1){8}[C@H](O){9}CO 6 compound(s) in CSDB (view)
coniferyl alcohol SMILES COC1=CC(/C=C/{9}CO)=C{3}C(O)={4}C1O 9 compound(s) in CSDB (view) ( one of variants)
sinapic alcohol SMILES COC1={4}C(O)C(OC)=CC(/C=C/{9}CO)=C1 9 compound(s) in CSDB (view)
salicyl alcohol SMILES O{2}C1=CC=CC=C1{7}CO 18 compound(s) in CSDB (view)
2,6-dihydroxybenzoic acid 2'-hydroxybenzyl ester SMILES O=C(OCC1=CC=CC={52}C1O)C2={2}C(O)C=CC={6}C2O 4 compound(s) in CSDB (view)
4,4',5,5',6,6'-hexahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid hexahydroxydiphenic acid SMILES O{3}C1={4}C(O){5}C(O)=C(C2={55}C(O){54}C(O)={53}C(O)C=C2{57}C(O)=O)C({7}C(O)=O)=C1 25 compound(s) in CSDB (view)
4,5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,3'-dicarboxylic acid pentahydroxydiphenic acid SMILES O={57}C(C1=CC(C2={6}C({5}C(O)={4}C(C=C2{7}C(O)=O)O)O)={56}C(O){55}C(O)=C1)O 1 compound(s) in CSDB (view)
2,3,4,5-tetrahydroxybenzoic acid 3,4,5-trihydroxysalicylic acid SMILES O{5}C1={4}C(O){3}C(O)={2}C(O)C({7}C(O)=O)=C1 8 compound(s) in CSDB (view)
catechol SMILES O{1}C1=CC=CC={2}C1O 4 compound(s) in CSDB (view)
hydroquinone SMILES O{1}C1=CC={4}C(O)C=C1 19 compound(s) in CSDB (view)
cis-cinnamic acid SMILES O={9}C(O)/C=C\C1=CC=CC=C1 9 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)/C=C\C1=CC=CC=C1$
2,4-dihydroxy-cis-cinnamic acid SMILES O={9}C(O)/C=C\C1=CC={4}C(O)C={2}C1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)/C=C\C1=CC=C(O)C=C1O$
2,4-dihydroxy-trans-cinnamic acid umbellic acid SMILES O={9}C(O)/C=C/C1=CC={4}C(O)C={2}C1O 1 compound(s) in CSDB (view)
3,4-dihydroxy-cis-cinnamic acid SMILES O={9}C(O)/C=C\C1=CC={4}C(O){3}C(O)=C1 11 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O)/C=C\C1=CC=C(O)C(O)=C1$
3,4-dihydroxy-trans-cinnamic acid caffeic acid SMILES O={9}C(O)/C=C/C1=CC={4}C(O){3}C(O)=C1 CSDB Linear: xXCaf? 272 compound(s) in CSDB (view)
4-hydroxyacetophenone piceol SMILES CC(C1=CC={4}C(O)C=C1)=O 12 compound(s) in CSDB (view)
4-hydroxy-2-methoxyacetophenone isopeonol SMILES CC(=O)C1=C(C={4}C(C=C1)O)OC 1 compound(s) in CSDB (view)
3-pentyl-1,2,5-benzenetriol SMILES CCCCCc1c{5}c(O)c{1}c(O){2}c1O 1 compound(s) in CSDB (view)
2,4-dihydroxy-6-methylbenzoic acid orsellinic acid SMILES O{4}C1=C{2}C(O)=C({7}C(O)=O)C(C)=C1 CSDB Linear: xXOrs 38 compound(s) in CSDB (view)
2,4-dihydroxy-6-((3E,5E)-nona-3,5-dien-1-yl)benzoic acid carnemycin A, B, C aglycon SMILES CC/C=C/C=C/CCC1=C({7}C(O)=O){2}C(O)={3}C{4}C(O)=C1 5 compound(s) in CSDB (view)
2,4-dihydroxy-6-((3Z,5E)-nona-3,5-dien-1-yl)benzoic acid (10Z,12E)-carnemycin B aglycon SMILES CCC/C=C/C=C\CCC1=C({7}C(O)=O){2}C(O)={3}C{4}C(O)=C1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCC/C=C/C=C\CCC1=C(C(O)=O)C(O)=CC(O)=C1$
2,4-dihydroxy-6-((3E,5Z)-nona-3,5-dien-1-yl)benzoic acid (10E,12Z)-carnemycin B aglycon SMILES CCC/C=C\C=C\CCC1=C({7}C(O)=O){2}C(O)={3}C{4}C(O)=C1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCC/C=C\C=C\CCC1=C(C(O)=O)C(O)=CC(O)=C1$
carnemycin D aglycon SMILES C/C=C/C=C/CCC1=C{4}C(O)={3}C{2}C(O)=C1{7}C(O)=O 1 compound(s) in CSDB (view)
5-[(3E,5E)-nona-3,5-dienyl]benzene-1,3-diol carnemycin E aglycon SMILES CCC/C=C/C=C/CCC1=C{2}C(O)={3}C{4}C(O)=C1 1 compound(s) in CSDB (view)
5-((3Z,5E)-nona-3,5-dien-1-yl)benzene-1,3-diol carnemycin F aglycon SMILES CCC/C=C/C=C\CCC1=C{2}C(O)={3}C{4}C(O)=C1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCC/C=C/C=C\CCC1=CC(O)=CC(O)=C1$
5-((3E,5Z)-nona-3,5-dien-1-yl)benzene-1,3-diol carnemycin G aglycon SMILES CCC/C=C\C=C\CCC1=C{2}C(O)={3}C{4}C(O)=C1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCC/C=C\C=C\CCC1=CC(O)=CC(O)=C1$
carnemycin H aglycon SMILES O{4}C1={3}C{2}C(O)=C({7}C(O)=O)C(CC/C=C/C=C/CCC)=C1 3 compound(s) in CSDB (view)
3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)benzoic acid SMILES C/C(C)=C\CC1=CC({7}C(O)=O)=C{3}C(O)={4}C1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=CC(C(O)=O)=CC(O)=C1O$
4-hydroxy-3-(3-methylbut-3-en-1-ynyl)benzoic acid eutypinic acid SMILES C=C(C#CC1=CC({7}C(O)=O)=CC={4}C1O)C 1 compound(s) in CSDB (view)
4-hydroxy-3-(3-methyl-3-butene-1-ynyl)-benzyl alcohol eutypinol SMILES C=C(C#CC1=CC({7}CO)=CC={4}C1O)C 1 compound(s) in CSDB (view)
4-nitrophenol SMILES C1=C{1}C(=CC=C1[N+](=O)[O-])O CSDB Linear: xXPhNO2 18 compound(s) in CSDB (view)
1-(2-hydroxyphenyl)-3-phenylpropane-1,2-diol SMILES O{52}C1=C(C=CC=C1){1}C(O){2}C(O)CC2=CC=CC=C2 1 compound(s) in CSDB (view)
diorcinol SMILES CC1=CC(OC2=C{3}C(O)=CC(C)=C2)=C{53}C(O)=C1 3 compound(s) in CSDB (view)
methoxycarbonyldiorcinol SMILES COC(C1={53}C(O)C=C(OC2=CC(C)=C{3}C(O)=C2)C=C1C)=O 1 compound(s) in CSDB (view)
(2S)-2,3-dihydroxy-3,3-diphenylpropanoic acid SMILES O={1}C(O){2}[C@@H](O){3}C(C1=CC=CC=C1)(O)C2=CC=CC=C2 1 compound(s) in CSDB (view)
5-heptylresorcinol SMILES O{1}C1=CC(CCCCCCC)=C{3}C(O)=C1 2 compound(s) in CSDB (view)
4-hydroxy-3-(3-methyl-2-butenyl)benzoic acid SMILES C/C(C)=C\Cc1cc({1}C(=O)O)cc{4}c1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\Cc1cc(C(=O)O)ccc1O$
2,2',4,4'-tetrahydroxy-bibenzyl SMILES O{52}C1=CC=C({54}C(O)=C1)CCC2=CC={4}C(O)C={2}C2O 1 compound(s) in CSDB (view)
1-tetradecanol SMILES CCCCCCCCCCCCC{1}CO 2 compound(s) in CSDB (view)
dodecan-2S-ol SMILES CCCCCCCCCC{2}[C@H](C)O 3 compound(s) in CSDB (view)
dodecan-2-ol SMILES CCCCCCCCCC{2}C(C)O 1 compound(s) in CSDB (view)
octadecane-1,2-diol SMILES CCCCCCCCCCCCCCCC{2}C(O){1}CO 3 compound(s) in CSDB (view)
hexadecanol SMILES CCCCCCCCCCCCCCC{1}CO 4 compound(s) in CSDB (view)
tetradecan-2S-ol SMILES CCCCCCCCCCCC{2}[C@@H](O)C 1 compound(s) in CSDB (view)
tetradecan-2-ol SMILES CCCCCCCCCCCC{2}C(O)C 1 compound(s) in CSDB (view)
tetradecane-2,13-diol SMILES C{13}C(O)CCCCCCCCCC{2}C(O)C 1 compound(s) in CSDB (view)
tetradecane-1,13-diol SMILES C{13}C(O)CCCCCCCCCCC{1}CO 2 compound(s) in CSDB (view)
heptadec-9E-ene-1,16-diol SMILES C{16}C(O)CCCCC/C=C/CCCCCCC{1}CO 1 compound(s) in CSDB (view)
heptadec-8E-ene-2,16-diol SMILES C{16}C(O)CCCCC/C=C/CCCCCC{2}C(O)C 1 compound(s) in CSDB (view)
octadec-9E-ene-1,18-diol SMILES O{18}CCCCCCCC/C=C/CCCCCCC{1}CO 1 compound(s) in CSDB (view)
pentadecan-7-ol SMILES CCCCCCCC{7}C(O)CCCCCC 1 compound(s) in CSDB (view)
dodecane-1,11S-diol SMILES C{11}[C@H](O)CCCCCCCCC{1}CO 1 compound(s) in CSDB (view)
tetradecane-1,14-diol SMILES O{1}CCCCCCCCCCCCC{14}CO 1 compound(s) in CSDB (view)
hexadecane-1,16-diol SMILES O{1}CCCCCCCCCCCCCCC{16}CO 1 compound(s) in CSDB (view)
hexadecane-1,15-diol SMILES C{15}C(O)CCCCCCCCCCCCC{1}CO 1 compound(s) in CSDB (view)
3,7,11-trimethyldodeca-1,6,10-trien-3-ol 6,7-trans-nerolidol SMILES C{3}C(CC/C=C(CC/C=C(C)/C)\C)(O)C=C 6 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(CC/C=C(CC/C=C(C)/C)\C)(O)C=C$
dodeca-2E,6E,10E-trien-1,3,7,11,12-pentol SMILES O{1}C/C={3}C(O)\CC/C={7}C(O)\CC/C={11}C(O)\{12}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC/C=C(O)\CC/C=C(O)\CC/C=C(O)\CO$
6-nonylcyclohex-2-en-1-ol SMILES CCCCCCCCCC1CC/C=C\{11}C1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCCCC1CC/C=C\C1O$
(4E,8E)-2-aminooctadeca-4,8-diene-1,3-diol 4E,8E-sphingadienine-C18 SMILES CCCCCCCCC/C=C/CC/C=C/{3}C(O){2}C(N){1}CO CSDB Linear: xXSphdC18 9 compound(s) in CSDB (view)
(2S,3R)-2-amino-9-methyloctadec-4-ene-1,3,8,9-tetraol SMILES CCCCCCCCC{9}C(C)(O){8}C(O)CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)
(2S,3R,4E)-2-amino-1,3-dihydroxy-9-methylene-4-octadecen-8-one SMILES C=C(CCCCCCCCC)C(=O)CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)
(2S,3R,4E,8E)-2-amino-9-methylheptadeca-4,8-diene-1,3-diol SMILES CCCCCCCC/C(C)=C/CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO CSDB Linear: xXSR9b1SphdC18 7 compound(s) in CSDB (view)
(2S,3R,4E,8E)-2-amino-9-methylpentadeca-4,8-diene-1,3-diol SMILES CCCCCC/C(C)=C/CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 2 compound(s) in CSDB (view)
(2S,3R,4E,8E)-2-amino-9-methyldocosa-4,8-diene-1,3-diol SMILES CCCCCCCCCCCCC/C(C)=C/CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 2 compound(s) in CSDB (view)
(2S,4E,8E)-2-amino-9-methyltricosa-4,8-diene-1,3-diol SMILES CCCCCCCCCCCCCC/C(C)=C/CC/C=C/{3}C(O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)
(2R,3R,4Z,8E)-2-amino-9-methyloctadeca-4,8-diene-1,3,4-triol SMILES CCCCCCCCC/C(C)=C/CC/C={4}C(O)/{3}[C@H](O){2}[C@H](N){1}CO 1 compound(s) in CSDB (view)
(4Z,8E)-2-amino-9-methylnonadeca-4,8-diene-1,3,4-triol SMILES CCCCCCCCCC/C(C)=C/CC/C={4}C(O)/{3}C(O){2}C(N){1}CO 1 compound(s) in CSDB (view)
2-amino-17-methylgentriaconta-4,17-diene-1,3-diol SMILES CCCCCCCCCCCC/C=C(C)/CCCCCCCCCCC/C=C/{3}C(O){2}C(N){1}CO 1 compound(s) in CSDB (view)
(2S,3R,E)-2-amino-9-methyloctadec-4-ene-1,3,8-triol SMILES CCCCCCCCCC(C){8}C(O)CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 6 compound(s) in CSDB (view)
(2S,3R)-2-amino-9-methyloctadecane-1,3,8-triol SMILES CCCCCCCCCC(C){8}C(O)CCCC{3}[C@@H](O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)
(2S,3S,4R,5S)-2-amino-9-methyloctadecane-1,3,4,5,8,9-hexaol SMILES CCCCCCCCC{9}C(C)(O){8}C(O)CC{5}[C@H](O){4}[C@@H](O){3}[C@@H](O){2}[C@@H](N){1}CO 2 compound(s) in CSDB (view)
(2S,3S,4S,5R)-2-amino-9-methyloctadecane-1,3,4,5,8,9-hexaol SMILES CCCCCCCCC{9}C(C)(O){8}C(O)CC{5}[C@@H](O){4}[C@H](O){3}[C@@H](O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)
(2S,3R,4E,7E)-2-amino-9-methyloctadeca-4,7-diene-1,3,9-triol SMILES CCCCCCCCC{9}C(O)(C)/C=C/C/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 6 compound(s) in CSDB (view)
(2S,3S,4E,9E)-2-amino-10-methyloctadeca-4,9-diene-1,3-diol SMILES CCCCCCCC/C(C)=C/CCC/C=C/{3}[C@H](O){2}[C@@H](N){1}CO 4 compound(s) in CSDB (view)
(4E,8E)-2-amino-9-methyloctadeca-4,8-diene-1,3,6-triol SMILES CCCCCCCCC/C(C)=C/C{6}C(O)/C=C/{3}C(O){2}C(N){1}CO 1 compound(s) in CSDB (view)
(2S,3R,4E,8E)-2-amino-9-methylicosa-4,8-diene-1,3-diol SMILES CCCCCCCCCCC/C(C)=C/CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)
(2S,3R,4E,8Z,10E)-2-amino-9-methyloctadeca-4,8,10-triene-1,3-diol SMILES CCCCCCC/C=C/C(C)=C\CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCC/C=C/C(C)=C\CC/C=C/[C@@H](O)[C@@H](N)CO$
(5E,9Z)-2-aminononadeca-5,9-diene-1,3-diol SMILES CCCCCCCCC/C=C\CC/C=C/C{3}C(O){2}C(N){1}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCCC/C=C\CC/C=C/CC(O)C(N)CO$
(2S,3R,4E,8Z)-2-aminooctadeca-4,8-diene-1,3-diol SMILES CCCCCCCCC/C=C\CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@@H](N)CO$
(4E,8E)-2-amino-9-methyloctadeca-4,8-diene-1,3,7-triol SMILES CCCCCCCCC/C(C)=C/{7}C(O)C/C=C/{3}C(O){2}C(N){1}CO 1 compound(s) in CSDB (view)
(2R,3S)-2-amino-1,3-tricosanediol (2R,3S)-sphinganine-C23 SMILES O{1}C{2}[C@@H](N){3}[C@H](O)CCCCCCCCCCCCCCCCCCCC 1 compound(s) in CSDB (view)
(2S)-2-amino-1,3-tricosanediol (2S)-sphinganine-C23 SMILES O{1}C{2}[C@H](N){3}C(O)CCCCCCCCCCCCCCCCCCCC 1 compound(s) in CSDB (view)
23-amino-tetracosane-2,3,22-triol SMILES C{23}C(N){22}C(O)CCCCCCCCCCCCCCCCCC{3}C(O){2}C(C)O 1 compound(s) in CSDB (view)
(4E,8Z)-2-aminononadeca-4,8-diene-1,3-diol SMILES CCCCCCCCCC/C=C\CC/C=C/{3}C(O){2}C(N){1}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCCCC/C=C\CC/C=C/C(O)C(N)CO$
(2S,3S,4R,Z)-2-aminoicos-10-ene-1,3,4-triol SMILES CCCCCCCCC/C=C\CCCCC{3}[C@@H](O){2}[C@@H](O)[C@@H](N){1}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCCC/C=C\CCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO$
(2S,3S,4R,8E)-2-amino-8-octadecene-1,3,4-triol SMILES CCCCCCCCC/C=C/CCC{4}[C@@H](O){3}[C@@H](O){2}[C@@H](N){1}CO 2 compound(s) in CSDB (view)
(2S,3R,4E,8E)-2-amino-4,8-octadecadien-1,3-diol sphinga-4E,8E-dienine SMILES CCCCCCCCC/C=C/CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 2 compound(s) in CSDB (view)
(2R,3S,4E,8E)-9-methyl-4,8-sphingadienine-C18 SMILES CCCCCCCCC/C(C)=C/CC/C=C/{3}[C@@H]({2}[C@@H]({1}CO)N)O 2 compound(s) in CSDB (view)
(2R,3S,4E)-4-sphingenine-C18 SMILES CCCCCCCCCCCCC/C=C/{3}[C@@H]({2}[C@@H]({1}CO)N)O 1 compound(s) in CSDB (view)
(2S,3R,4E)-8-hydroxy-9-methylene-4-sphingenine-C18 SMILES CCCCCCCCCC({8}C(O)CC/C=C/{3}[C@H]({2}[C@H]({1}CO)N)O)=C 2 compound(s) in CSDB (view)
(2S,3R,5E,9Z)-5,9-sphingadienine-C19 SMILES O{3}[C@@H]({2}[C@H]({1}CO)N)C/C=C/CC/C=C\CCCCCCCCC 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES O[C@@H]([C@H](CO)N)C/C=C/CC/C=C\CCCCCCCCC$
(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C14 SMILES C/C(CCCCC)=C\CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(CCCCC)=C\CC/C=C/[C@@H](O)[C@@H](N)CO$
(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C13 SMILES CCCC/C(C)=C/CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)
(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C16 SMILES C/C(CCCCCCC)=C\CC/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(CCCCCCC)=C\CC/C=C/[C@@H](O)[C@@H](N)CO$
(2S,3S,4E,8E,10E)-9-methyl-4,8,10-sphingatrienine-C19 SMILES CC(/C=C/CCCCCCCC)=C\CC/C=C/{3}[C@H](O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(/C=C/CCCCCCCC)=C\CC/C=C/[C@H](O)[C@@H](N)CO$
(2S,3S,4E,8E)-9-methyl-4,8-sphingadienine-C19 SMILES C/C(CCCCCCCCCC)=C\CC/C=C/{3}[C@H](O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(CCCCCCCCCC)=C\CC/C=C/[C@H](O)[C@@H](N)CO$
(2S,3S,4E,9E)-10-methyl-4,9-sphingadienine-C19 SMILES O{1}C{2}[C@@H]({3}[C@H](/C=C/CCC/C=C(CCCCCCCCC)\C)O)N 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC[C@@H]([C@H](/C=C/CCC/C=C(CCCCCCCCC)\C)O)N$
(2S,3S,4E)-8-oxo-9-methylene-4-sphingenine C18 SMILES O{3}[C@H]({2}[C@H]({1}CO)N)/C=C/CCC(C(CCCCCCCCC)=C)=O 1 compound(s) in CSDB (view)
(2S,3R,4E,8E,10E)-9-methyl-4,8,10-sphingatrienine-C18 SMILES O{3}[C@@H]({2}[C@H]({1}CO)N)/C=C/CC/C=C(C)/C=C/CCCCCCC 3 compound(s) in CSDB (view)
(2S,7E)-7-sphingenine-C16 SMILES O{3}C({2}[C@H]({1}CO)N)CCC/C=C/CCCCCCCC 1 compound(s) in CSDB (view)
(2S,3R,7E)-7-methyl-7-sphingenine-C11 SMILES CCC/C=C(C)/CCC{3}[C@H]({2}[C@H]({1}CO)N)O 1 compound(s) in CSDB (view)
(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C21 SMILES C/C(CCCCCCCCCCCC)=C\CC/C=C/{3}[C@H]({2}[C@H]({1}CO)N)O 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(CCCCCCCCCCCC)=C\CC/C=C/[C@H]([C@H](CO)N)O$
(2S,3R,4E,8E,10E)-9-methyl-4,8,10-sphingatrienine-C22 SMILES O{1}C{2}[C@@H]({3}[C@@H](/C=C/CC/C=C(/C=C/CCCCCCCCCCC)C)O)N 1 compound(s) in CSDB (view)
(2S,4E,17E,19E)-18-methyl-4,17,19-sphingatrienine-C32 SMILES O{3}C({2}[C@H]({1}CO)N)/C=C/CC/C=C/CCCCCCC/C=C(C)/C=C/CCCCCCCCCCCC 1 compound(s) in CSDB (view)
(2S,3R,4R)-4-hydroxysphinganine-C18 SMILES CCCCCCCCCCCCCC{4}[C@@H](O){3}[C@@H](O){2}[C@@H](N){1}CO 2 compound(s) in CSDB (view)
(2S,4E,8E)-9-methyl-4,8-sphingadienine-C18 SMILES CCCCCCCCC/C(C)=C/CC/C=C/{3}C(O){2}[C@@H](N){1}CO 2 compound(s) in CSDB (view)
(2S,4E,8E)-4,8-sphingadienine-C18 SMILES CCCCCCCCC/C=C/CC/C=C/{3}C(O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)
(2S,4E,8Z)-4,8-sphingadienine-C18 SMILES CCCCCCCCC/C=C\CC/C=C/{3}C(O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCCCCCC/C=C\CC/C=C/C(O)[C@@H](N)CO$
(2S,3R)-8-methyl-4E,7E-sphingadienine-C17 SMILES CCCCCCCCC/C(C)=C/C/C=C/{3}[C@@H](O){2}[C@@H](N){1}CO 1 compound(s) in CSDB (view)
oxalic acid SMILES O=C(O){1}C(=O)O 6 compound(s) in CSDB (view)
carbonic acid SMILES {51}O{1}C(=O)O CSDB Linear: xXC? 11 compound(s) in CSDB (view)
anagalloside B aglycon SMILES C[C@]12CC{3}[C@H](O)[C@@](C)({23}CO)[C@@H]1CC[C@]3(C)[C@@H]2CC[C@@]45[C@@]3(C)C{16}[C@@H](O)[C@]6(CO5)[C@H]4CC(C)(C)CC6 2 compound(s) in CSDB (view)
anagallosaponin II aglycon SMILES C[C@]12CC{3}[C@H](O)[C@]({23}CO)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC[C@@]45[C@@]3(C)C{16}[C@@H](O)[C@]6({28}[C@H](O)O5)[C@H]4CC(C)(C)C{22}[C@@H]6O 1 compound(s) in CSDB (view)
1-deglucosylpenstemonosidic acid aglycon SMILES O{11}C(C1=COCC2[C@@H](C{6}[C@H](C12)O)C)=O 1 compound(s) in CSDB (view)
plumieride aglycon SMILES C{14}[C@H](O)C1=C[C@]2(OC1=O)C=C[C@H]3[C@@H]2{1}[C@H](O)OC=C3{12}C(O)=O 1 compound(s) in CSDB (view)
bartsioside aglycon SMILES O{1}[C@@H]1OC=C[C@H]2[C@@H]1C({10}CO)=CC2 1 compound(s) in CSDB (view)
oleuropein aglycon core SMILES C/C=C1[C@H](C{7}C(O)=O)C(C(OC)=O)=CO{1}[C@H]\1O 40 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C=C1[C@H](CC(O)=O)C(C(OC)=O)=CO[C@H]\1O$
monotropein aglycon SMILES O{1}[C@@H]1OC=C({11}C(O)=O)[C@@H]2[C@H]1{8}[C@]({10}CO)(O)C=C2 1 compound(s) in CSDB (view)
asperuloside aglycon SMILES O{10}CC1=C[C@H]2[C@H]3[C@@H]1{1}[C@H](O)OC=C3C(O2)=O 4 compound(s) in CSDB (view)
scandoside aglycon SMILES O{6}[C@H]1[C@H](C({11}C(O)=O)=CO{1}[C@H]2O)[C@H]2C({10}CO)=C1 6 compound(s) in CSDB (view)
7-hydroxyugandoside CSDB Linear: C=C1C(O)CC2(O)C(C=O)=COC(O)C12 2 compound(s) in CSDB (view)
5β,6β-dihydroxy-boschnaloside aglycon SMILES C[C@@H]1C{6}[C@@H](O){5}[C@@]2(O)[C@@H]1{1}[C@H](O)OC=C2C=O 1 compound(s) in CSDB (view)
euphroside aglycon SMILES C{8}[C@]1(O)CC{5}[C@@]2(O)[C@@H]1{1}[C@H](O)OC=C2C=O
9-hydroxy-8-epihastatoside aglycon SMILES C[C@@H]1CC({5}[C@@]2(O){9}[C@]1(O){1}[C@H](O)OC=C2C(OC)=O)=O 1 compound(s) in CSDB (view)
auroside aglycon SMILES C[C@@H]1{7}[C@@H](O)C{5}[C@@]2(O)[C@@H]1{1}[C@H](O)OC=C2C(OC)=O 1 compound(s) in CSDB (view)
pulchelloside I aglycon SMILES C[C@H]1[C@H]2{1}[C@H](O)OC=C(C(OC)=O){5}[C@@]2(O){6}[C@H](O){7}[C@@H]1O 1 compound(s) in CSDB (view)
6-epiharpagide aglycon SMILES C{8}[C@]1(O)C{6}[C@H](O){5}[C@@]2(O)[C@@H]1{1}[C@H](O)OC=C2 1 compound(s) in CSDB (view)
secologanoside aglycon SMILES C=C[C@@H]1[C@H](C{9}C(O)=O)C({7}C(O)=O)=CO{2}[C@H]1O 2 compound(s) in CSDB (view)
secologanic acid aglycon SMILES C=C[C@@H]1[C@@H]2C{3}C(O)OC(C2=CO{6}[C@H]1O)=O 1 compound(s) in CSDB (view)
6α-hydroxygeniposidic acid aglycon SMILES O={11}C(C1=CO{1}[C@@H](O)[C@@]2([H])[C@]1([H]){6}[C@@H](O)C=C2{10}CO)O 4 compound(s) in CSDB (view)
barbatoside aglycon SMILES C[C@H]1[C@@H]2[C@@H](C({11}C(O)=O)=CO{1}[C@H]2O){6}[C@H](O){7}[C@@H]1O 2 compound(s) in CSDB (view)
boschnaloside nitrile aglycon SMILES C[C@]1([H])C[C@]([H])[C@]2([H])C(C#N)=CO{1}[C@](O)([H])C12[H] 1 compound(s) in CSDB (view)
dihydrocornine aglycon SMILES C[C@H]1C{6}[C@H](O)[C@@H]2C({11}C(O)=O)=CO{1}[C@H]([C@@H]21)O 1 compound(s) in CSDB (view)
boschnaloside aglycon SMILES C[C@]1([H])C[C@]([H])[C@]2([H])C(C=O)=CO{1}[C@](O)([H])C12[H] 1 compound(s) in CSDB (view)
ascandroside aglycon SMILES C[C@]12CCC(C=C1C=C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C=C{17}[C@H]4O)=O 1 compound(s) in CSDB (view)
steroid 1 SMILES CC1(C)CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@H]1O)=CC[C@H]4[C@@]3(C)C{6}[C@@H](O)[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5({23}CO)C 1 compound(s) in CSDB (view)
securigenin SMILES O{3}[C@H]1CC[C@]2(C=O)[C@@H]3[C@H]({14}[C@@]4(O)CC[C@H](C5=CC(OC5)=O)[C@@]4(C)C{11}[C@H]3O)CC[C@@H]2C1 2 compound(s) in CSDB (view)
canescegenin SMILES O{3}[C@H]1CC[C@]2(C=O)[C@@H]3[C@H]({14}[C@@]4(O)CC[C@H](C5=CC(OC5)=O)[C@@]4(C)C{11}[C@H]3O)CC{6}[C@]2(O)C1 1 compound(s) in CSDB (view)
19-hydroxysarmentogenin SMILES O{3}[C@H](C[C@H]1CC[C@@H]2[C@@H]3{11}[C@@H](C[C@@]4([C@H](CC{14}[C@]24O)C5=CC(OC5)=O)C)O)CC[C@@]13{19}CO 1 compound(s) in CSDB (view)
7α-hydroxyclerosterol SMILES CC[C@H](C(C)=C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2{7}[C@H](O)C=C4[C@]3(C)CC{3}[C@H](O)C4)C 1 compound(s) in CSDB (view)
7β-hydroxyclerosterol SMILES CC[C@H](C(C)=C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2{7}[C@@H](O)C=C4[C@]3(C)CC{3}[C@H](O)C4)C 1 compound(s) in CSDB (view)
ascleposide A aglycon SMILES C{9}[C@@H](O)/C=C/{6}[C@]1(O)[C@]2(C)C{3}[C@H](O)C[C@@]1(C)OC2 1 compound(s) in CSDB (view)
ascleposide B aglycon SMILES C{9}[C@@H](O)/C=C/{6}[C@]1(O)[C@]2(C)C{3}[C@H](O)C[C@@]1(C)OC2=O 1 compound(s) in CSDB (view)
ascleposide C aglycon SMILES C{9}[C@@H](O)/C=C/[C@@H]1[C@]2(C)C{3}[C@H](O)C[C@@]1(C)OC2 1 compound(s) in CSDB (view)
ascleposide D aglycon SMILES C{9}[C@@H](O)CC[C@@H]1[C@]2(C)C{3}[C@H](O)C[C@@]1(C)OC2 1 compound(s) in CSDB (view)
ascleposide E aglycon SMILES CC(CC[C@@H]1[C@]2(C)C{3}[C@H](O)C[C@@]1(C)OC2)=O 1 compound(s) in CSDB (view)
3-hydroxy-β-ionol SMILES CC1=C(/C=C/{9}C(O)C)C(C)(C)C{3}C(O)C1 1 compound(s) in CSDB (view)
woorenoside I-IV aglycon SMILES COC1=CC(/C=C/{10}CO)=CC2=C1O[C@@H](C3=CC(OC)=C(OC)C(OC)=C3)[C@@H]2{11}CO 4 compound(s) in CSDB (view)
precarthamin aglycon SMILES O{5}C({4}C(O){3}C(O)=C1C(C2={53}C(O){54}C(O){55}C(O)=C(C(/C=C/C3=CC={63}C(O)C=C3)=O)C2=O){17}C(O)=O)=C(C(/C=C/C4=CC={13}C(O)C=C4)=O)C1=O 1 compound(s) in CSDB (view)
carthamin aglycon SMILES O{5}C({4}C(O){3}C(O)=C1/C=C2C(C(C(/C=C/C3=CC={63}C(O)C=C3)=O)={55}C(O){54}C(O)C\2=O)=O)=C(C(/C=C/C4=CC={13}C(O)C=C4)=O)C1=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC(C(O)C(O)=C1/C=C2C(C(C(/C=C/C3=CC=C(O)C=C3)=O)=C(O)C(O)C\2=O)=O)=C(C(/C=C/C4=CC=C(O)C=C4)=O)C1=O$
labdane-type diterpene 1 SMILES C[C@]12[C@H](CC=C(C)[C@H]2CC/C(C)=C/{15}CO)C(C)(C){3}[C@H](O){2}[C@@H](O)C1 2 compound(s) in CSDB (view)
sorigenin SMILES O=C1OCC2=C1{1}C(O)=C3{6}C(O)=C{8}C(O)=CC3=C2 1 compound(s) in CSDB (view)
isodihydrocadambine aglycon SMILES O=C(C1=CO{21}[C@@H](O)[C@H]2[C@@H]1C[C@@H]3C4=C(C5=CC=CC=C5N4)CCN3[C@H]2{23}CO)OC 1 compound(s) in CSDB (view)
machaerinic acid γ-lactone SMILES C[C@]12CC{3}[C@@H](C(C)([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]56[C@H]4CC(C)([C@H](C6)OC5=O)C)C)C)C)O 2 compound(s) in CSDB (view)
deacetylipecoside aglycon SMILES O=C(OC)C1=CO{2}[C@@H](O)[C@H](C=C)[C@@H]1C[C@@H]2C3=C{57}C(O)={56}C(O)C=C3CCN2 2 compound(s) in CSDB (view)
deacetylisoipecoside aglycon SMILES O=C(OC)C1=CO{2}[C@@H](O)[C@H](C=C)[C@@H]1C[C@H]2C3=C{57}C(O)={56}C(O)C=C3CCN2 1 compound(s) in CSDB (view)
demethylalangiside aglycon SMILES O{56}C1={57}C(O)C=C2[C@H]3C[C@H]4[C@@H](C=C){2}[C@H](O)OC=C4C(N3CCC2=C1)=O 2 compound(s) in CSDB (view)
demethylisoalangiside aglycon SMILES O{56}C1={57}C(O)C=C2[C@@H]3C[C@H]4[C@@H](C=C){2}[C@H](O)OC=C4C(N3CCC2=C1)=O 1 compound(s) in CSDB (view)
ivasperin SMILES C[C@]12C[C@H]3[C@@H](C[C@@H]1C(=C)C{2}[C@H]({1}[C@@H]2O)O)C(=C)C(=O)O3 1 compound(s) in CSDB (view)
22α-hydroxysaikogenin G SMILES C[C@]12CC{3}[C@H](O)[C@@](C)({23}CO)[C@@H]1CC[C@]3(C)[C@@H]2C=C[C@@]45[C@@]3(C)C{16}[C@@H](O)[C@]6(CO5)[C@H]4CC(C)(C)C{22}[C@@H]6O 1 compound(s) in CSDB (view)
16α,22α-dihydroxysaikogenin E SMILES C[C@]12CC{3}[C@H](O)C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2C=C[C@@]45[C@@]3(C)C{16}[C@@H](O)[C@]6(CO5)[C@H]4CC(C)(C)C{22}[C@@H]6O 1 compound(s) in CSDB (view)
21β-hydroxysaikogenin G SMILES C[C@]12CC{3}[C@H](O)[C@@](C)({23}CO)[C@@H]1CC[C@]3(C)[C@@H]2C=C[C@@]45[C@@]3(C)C{16}[C@@H](O)[C@]6(CO5)[C@H]4CC(C)(C){21}[C@@H](O)C6 1 compound(s) in CSDB (view)
debenzoylpaeoniflorigenin SMILES C[C@]12C{4}[C@@]3([C@@H]4C{1}[C@]1([C@@]4([C@H](O2)O3){8}CO)O)O 5 compound(s) in CSDB (view)
12-ketoporrigenin SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4C{6}[C@H]([C@@H]6[C@@]5(CC{3}[C@@H](C6)O)C)O)C)C)OC1 1 compound(s) in CSDB (view)
2,12-diketoporrigenin = porrigenin C SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4C{6}[C@H]([C@@H]6[C@@]5(CC(=O){3}[C@@H](C6)O)C)O)C)C)OC1 1 compound(s) in CSDB (view)
(+)-viridiflorol SMILES C[C@@H]1CC[C@H]2[C@@H]1[C@H](C3(C)C)[C@H]3CC{7}[C@@]2(O)C 2 compound(s) in CSDB (view)
verbascosaponin A aglycon SMILES CC1(CC{17}C2(O)CC[C@@]3(C([C@@H]2C1)=C[C@@H](OC)[C@@H]4[C@]5(CC{3}[C@@H]([C@@]({23}CO)([C@@H]5CC[C@]43C)C)O)C)C)C 1 compound(s) in CSDB (view)
thalicogenin A1 SMILES C[C@@H]([C@H]1{16}[C@@H](O)C[C@]2(C)[C@]1(C)CC[C@]34[C@H]2CC[C@@H]5[C@@]3(CC{3}[C@H](O)[C@]5({29}CO)C)C4)[C@@H]6CCC(C)(C)O6 2 compound(s) in CSDB (view)
thalicoside A2 aglycon SMILES C[C@H]({22}[C@@H](O)C/C=C(C)\C)[C@H]1{16}[C@@H](O)C[C@]2(C)[C@]1(C)CC[C@]34[C@H]2CC[C@@H]5[C@@]3(CC{3}[C@H](O)[C@]5({29}CO)C)C4 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]([C@@H](O)C/C=C(C)\C)[C@H]1[C@@H](O)C[C@]2(C)[C@]1(C)CC[C@]34[C@H]2CC[C@@H]5[C@@]3(CC[C@H](O)[C@]5(CO)C)C4$
arbortristoside A, C aglycon SMILES C[C@@H]1[C@@H]2[C@@H](C(C(OC)=O)=CO{1}[C@H]2O){6}[C@H](O){7}[C@@H]1O 2 compound(s) in CSDB (view)
pterocarposide aglycon SMILES O{6}C(C=C1)={1}CC(OC/2=O)=C1C2=C\C3=CC={54}C(O)C=C3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC(C=C1)=CC(OC/2=O)=C1C2=C\C3=CC=C(O)C=C3$
11β,13-dihydrourospermal A SMILES O=C1[C@@H](C)[C@@H]2{1}[C@@H](O)C/C(C=O)=C\CC/C({15}CO)=C/[C@H]2O1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C1[C@@H](C)[C@@H]2[C@@H](O)C/C(C=O)=C\CC/C(CO)=C/[C@H]2O1$
14-O-methylacetalurospermal A SMILES O=C(O[C@@H]1/C=C(CC/C=C2C[C@@H]([C@@H]31)O{1}C\2O)\{15}CO)C3=C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C(O[C@@H]1/C=C(CC/C=C2C[C@@H]([C@@H]31)OC\2O)\CO)C3=C$
polycavernoside A aglycon SMILES C[C@@H]1C[C@@H]2C(C)(C)[C@@H](/C=C/C=C/C=C/C(C)C)OC(C[C@H]3[C@H](C){3}[C@@H](O)C[C@@H](CC({8}[C@]1(O)O2)=O)O3)=O 4 compound(s) in CSDB (view)
polycavernoside B aglycon SMILES C[C@@H]1C[C@@H]2C(C)(C)[C@@H](/C=C/C=C/C(C)C)OC(C[C@H]3[C@H](C){3}[C@@H](O)C[C@@H](CC({8}[C@]1(O)O2)=O)O3)=O 2 compound(s) in CSDB (view)
antirrhinoside aglycon SMILES C[C@@]12[C@H]3{1}[C@H](O)OC=C{5}[C@@]3(O){6}[C@H](O)[C@@H]1O2 3 compound(s) in CSDB (view)
antirrhide aglycon SMILES C=C1[C@H]2{1}[C@H](O)OC=CC2C{7}[C@@H]1O 1 compound(s) in CSDB (view)
linarioside aglycon SMILES C{8}[C@@]1(O)[C@H]2{1}[C@@H](OC=C{5}[C@]2({6}[C@@H]([C@H]1Cl)O)O)O 1 compound(s) in CSDB (view)
pridentigenin E SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)C{16}[C@@H](O)[C@]5({28}CO)[C@H]4C[C@@](C)({29}CO)CC5)C1(C)C 1 compound(s) in CSDB (view)
ardisimamilloside D aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C){15}[C@@H](O)C[C@]5({28}CO)[C@H]4C[C@@](C)({29}CO)CC5)C1(C)C 1 compound(s) in CSDB (view)
ardisimamilloside E aglycon SMILES O{3}[C@H]1CC[C@]2(C)[C@H]3CC[C@@]45[C@@H]6C[C@](C)({29}CO)CC[C@@]6({16}[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C)CO4 1 compound(s) in CSDB (view)
ardisimamilloside F aglycon SMILES O{3}[C@H]1CC[C@]2(C)[C@H]3CC[C@@]45[C@@H]6C[C@]({29}C(O)=O)(C)CC[C@@]6({16}[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C)CO4 1 compound(s) in CSDB (view)
cyclamiretin D SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)C{16}[C@@H](O)[C@]5({28}CO)[C@H]4C[C@@](C)(C=O)CC5)C1(C)C 1 compound(s) in CSDB (view)
ardisimamilloside A aglycon SMILES O{3}[C@H]1CC[C@]2(C)[C@H]3CC[C@]45[C@@H]6C[C@@](C)(C=O)CC[C@]6({28}C(O)O5){16}[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C 1 compound(s) in CSDB (view)
cyclamigenin B SMILES O{3}[C@H]1CC[C@]2(C)[C@H]3CC[C@]45[C@@H]6C[C@@](C)(C=O)CC[C@]6(CO5)C(C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C)=O 1 compound(s) in CSDB (view)
nortrachelogenin SMILES O{54}C1=C(OC)C=C(C[C@H]2COC({3}[C@]2(O)CC3=CC(OC)={104}C(O)C=C3)=O)C=C1 1 compound(s) in CSDB (view)
diplazioside V aglycon SMILES C[C@]12CC{3}[C@H](O)[C@](C)({24}CO)[C@@H]1CC[C@]3(C)[C@@H]2CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]46CC[C@@H]5C(C)(C)OC6=O 1 compound(s) in CSDB (view)
diplazioside VI aglycon SMILES C[C@]12CC{3}[C@H](O)[C@](C)({24}CO)[C@@H]1CC[C@]3(C)[C@@H]2CC[C@H]4[C@@]3(C)CC{17}[C@]5(O)[C@]46CC[C@@H]5C(C)(C)OC6=O 1 compound(s) in CSDB (view)
diplazioside VII aglycon SMILES C[C@]12CC{3}[C@H](O)[C@](C)({24}CO)[C@@H]1CC[C@]3(C)[C@@H]2CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]46CC[C@@H]5[C@](C)({30}CO)OC6=O 2 compound(s) in CSDB (view)
5,7-dihydroxy-2,2,8-trimethyl-2H-chromene-6-carbaldehyde SMILES CC(O1)(C)C=CC2=C1C(C)={7}C(O)C(C=O)={5}C2O 1 compound(s) in CSDB (view)
(+)-α-viniferin SMILES O{4}C1=CC([C@H]2[C@@H]3C4=CC={104}C(O)C=C4)=C5[C@H](C6=C7[C@@H](C8=C2C(O3)=C{63}C(O)=C8)[C@H](C9=CC={54}C(O)C=C9)OC7=C{13}C(O)=C6)[C@@H](C%10=CC={113}C(O)C=C%10)OC5=C1 1 compound(s) in CSDB (view)
cinchonain Id SMILES O=C(O1)C[C@@H](C2=C{103}C(O)={104}C(O)C=C2)C({7}C(O)=C3)=C1C4=C3O[C@H](C5=C{53}C(O)={54}C(O)C=C5){3}[C@H](O)C4 1 compound(s) in CSDB (view)
andrograpanin SMILES C[C@@]1({11}CO)CCC[C@]2(C)[C@@H]1CCC([C@H]2CCC3=CCOC3=O)=C 1 compound(s) in CSDB (view)
25-anhydrocimigenol SMILES C[C@@H]1C[C@@H]2[C@@H](C(C)=C)O[C@@]3(O2)[C@H]1[C@@]4(C)CC[C@@]56C[C@@]57CC{3}[C@H](O)C(C)(C)[C@@H]7CC[C@H]6[C@]4(C){15}[C@H]3O 1 compound(s) in CSDB (view)
beesioside I aglycon SMILES CC(O[C@@H]1[C@@H]2[C@]3(C)CC[C@@](OC[C@@]24CC[C@@]56C[C@@]57CC{3}[C@H](O)C(C)(C)[C@@H]7CC[C@H]6[C@]4(C)[C@@H]1OC(C)=O)({23}C(C)(O)C)O3)=O 1 compound(s) in CSDB (view)
3β,23,27-trihydroxylup-20(29)-en-28-oic acid SMILES CC([C@@H]1CCC2({28}C(O)=O)CC[C@@]3({27}CO)[C@]4(C)CCC5[C@](C)({23}CO){3}[C@@H](O)CC[C@]5(C)C4CCC3C21)=C 1 compound(s) in CSDB (view)
loniceracetalide A aglycon SMILES C[C@@H]1[C@@H](O[C@H](O1)C[C@H]2[C@H]({1}[C@@H](OC=C2C(OC)=O)O)C=C)C 1 compound(s) in CSDB (view)
loniceracetalide B aglycon SMILES C[C@H]1[C@H](O[C@H](O1)C[C@H]2[C@H]({1}[C@@H](OC=C2C(OC)=O)O)C=C)C 1 compound(s) in CSDB (view)
phlomuroside aglycon SMILES C{9}[C@@H](O)/C=C/[C@@]12[C@@](C{3}[C@@H](O)CC2(C)C)(C)O1 1 compound(s) in CSDB (view)
timosaponin E1 aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@H](CCC3C2CC[C@@]4(C)C3{15}[C@@H](O)C5C4[C@H](C){19}C(O)(CCC({23}CO)C)O5)C1 3 compound(s) in CSDB (view)
stesakine SMILES CN1CCC2=CC3=C(OCO3)C4=C2[C@H]1CC5=C4C=C{9}C(O)=C5OC 1 compound(s) in CSDB (view)
N-methylasimilobine SMILES CN1CCC2=C{2}C(O)=C(OC)C3=C2[C@H]1CC4=C3C=CC=C4 1 compound(s) in CSDB (view)
2-desoxy-α-ecdysone SMILES C[C@H]({19}[C@H](O)CC{22}C(C)(O)C)[C@H]1CC{14}[C@]2(O)[C@]1(C)CCC3C2=CC([C@H]4[C@]3(C)CC{3}[C@H](O)C4)=O 1 compound(s) in CSDB (view)
thaxtomin A SMILES CN1[C@H](C(=O)N({14}[C@](C1=O)(CC2=C{53}C(=CC=C2)O)O)C)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-] 1 compound(s) in CSDB (view)
thaxtomin B SMILES CN1[C@H](C(=O)N({14}[C@](C1=O)(CC2=CC(=CC=C2))O)C)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-] 1 compound(s) in CSDB (view)
dumortierigenin SMILES C[C@]12CC{3}[C@H](O)C(C)(C)C1CC[C@]3(C)C2CC=C4[C@@]3(C)[C@H]5C[C@]6(C(O5)=O)[C@H]4CC(C)(C)C{22}[C@@H]6O 2 compound(s) in CSDB (view)
taraxinic acid SMILES C/C1=C\[C@@H]2[C@H](C(C(O2)=O)=C)CC/C({14}C(O)=O)=C/CC1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C1=C\[C@@H]2[C@H](C(C(O2)=O)=C)CC/C(C(O)=O)=C/CC1$
11,13-dihydrotaraxinic acid SMILES C/C1=C\[C@@H]2[C@H]([C@H](C)C(O2)=O)CC/C({14}C(O)=O)=C/CC1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C1=C\[C@@H]2[C@H]([C@H](C)C(O2)=O)CC/C(C(O)=O)=C/CC1$
ainslioside aglycon SMILES C/C1=C/[C@H]2[C@H]([C@H](C)C(O2)=O)C/C=C(CCC1)/{14}C(O)=O 1 compound(s) in CSDB (view)
11βH,13-dihydro-zaluzanin C SMILES C=C1CC[C@@H]2[C@H](OC([C@H]2C)=O)[C@@H]3[C@H]1C{3}[C@H](O)C3=C 2 compound(s) in CSDB (view)
ixerin F aglycon SMILES C=C1{9}[C@H](O)C[C@@H]2[C@H](OC([C@H]2C)=O)[C@@H]3[C@H]1C{3}[C@H](O)C3=C 1 compound(s) in CSDB (view)
13-hydroxy-4,15,11,13-tetrahydro-8-epidesacylcynaropicrin SMILES C=C1C{8}[C@H]([C@H]2[C@H]({13}CO)C(O[C@@H]2[C@H]3C({3}[C@H](C[C@@H]13)O)=C)=O)O 4 compound(s) in CSDB (view)
lactucide A aglycon SMILES C[C@H]1[C@@H]2CC/C(C=O)=C\C{9}[C@H](O)/C(C)=C/[C@H]2OC1=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]1[C@@H]2CC/C(C=O)=C\C[C@H](O)/C(C)=C/[C@H]2OC1=O$
scorzoside aglycon SMILES C[C@H]1[C@@H]2C{5}[C@@H](O)C([C@@H]3CCC([C@@H]3[C@H]2OC1=O)=C)=C 1 compound(s) in CSDB (view)
3,4-dehydro-5-carboxystrictosidine aglycon SMILES C=C[C@@H]1[C@@H](C({23}C(O)=O)=CO{19}[C@H]1O)CC2=N[C@H]({24}C(O)=O)Cc(c2[nH]3)c4c3cccc4 1 compound(s) in CSDB (view)
5(S)-5-carboxystrictosidine aglycon SMILES C=C[C@@H]1[C@@H](C({23}C(O)=O)=CO{19}[C@H]1O)CC2N[C@H]({24}C(O)=O)Cc(c2[nH]3)c4c3cccc4 1 compound(s) in CSDB (view)
lyaloside aglycon SMILES C=C[C@@H]1[C@@H](C({23}C(O)=O)=CO{19}[C@H]1O)CC2=NCCc(c2[nH]3)c4c3cccc4 1 compound(s) in CSDB (view)
(1S,4S,5R,6R,7S,10S)-trihydroxyeudesmane SMILES CC([C@@H]1CC[C@]2(C){1}[C@@H](O)CC{4}[C@](C)(O)[C@H]2{6}[C@@H]1O)C 1 compound(s) in CSDB (view)
(1S,4S,5S,6R,7R,10S)-dihydroxymaaliane SMILES C[C@]12CC[C@@H]3[C@@H](C3(C)C)[C@@H]1{4}[C@@](C)(O)CC{1}[C@@H]2O 1 compound(s) in CSDB (view)
10α,11-dihydroxycadin-4-ene SMILES CC1=C[C@@H]2[C@H]({10}[C@](C)(O)CC[C@H]2{11}C(C)(O)C)CC1 1 compound(s) in CSDB (view)
betanin SMILES O{6}C(C=C1/2)={5}C(O)C=C1CC(C([O-])=O)[N+]2=C/C=C3C=C({20}C(O)=O)NC({19}C(O)=O)C/3 5 compound(s) in CSDB (view)
(1α,2β)-1,2-dihydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-2,3-naphthalenedicarboxylic acid arillatose A aglycon SMILES COC1=CC([C@@H]2[C@@H]({2}C(O)=O)C({3}C(O)=O)=CC3=CC(OC)={7}C(O)C(OC)=C23)=CC(OC)={54}C1O
dalpanol SMILES C{56}C([C@H]1CC2=C(C=CC3=C2O[C@@H]4COC5=CC(OC)=C(OC)C=C5[C@@H]4C3=O)O1)(O)C
desacetylscillirosidin SMILES O{6}[C@@H]1C{8}[C@]2(O)[C@@H]([C@]3(C)C1=C{3}[C@@H](O)CC3)CC[C@@]4(C){14}[C@]2(O)CC[C@@H]4C5=COC(C=C5)=O 1 compound(s) in CSDB (view)
12β-hydroxydesacetylscillirosidin SMILES O{6}[C@@H]1C{8}[C@]2(O)[C@@H]([C@]3(C)C1=C{3}[C@@H](O)CC3)C{12}[C@@H](O)[C@@]4(C){14}[C@]2(O)CC[C@@H]4C5=COC(C=C5)=O 1 compound(s) in CSDB (view)
12β-hydroxyhellebrigenin SMILES O{3}[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H]({16}[C@@H](O)C{14}[C@@]4([C@@H]3CC{5}[C@@]2(C1)O)O)C5=COC(C=C5)=O)C)C=O 1 compound(s) in CSDB (view)
5β,16β-dihydroxybufalin SMILES O{3}[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H]({16}[C@@H](O)C{14}[C@@]4([C@@H]3CC{5}[C@@]2(C1)O)O)C5=COC(C=C5)=O)C)C 1 compound(s) in CSDB (view)
gamabufotalin SMILES C[C@]12CC{3}[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2{11}[C@H](O)C[C@@]4(C){14}[C@]3(O)CC[C@@H]4C5=COC(C=C5)=O 1 compound(s) in CSDB (view)
11-hydroxyscilliglaucoside aglycon SMILES C[C@]12C{11}[C@@H](O)[C@H]3[C@@H](CC{5}[C@@]4(O)[C@]3(C=O)CCC=C4){14}[C@@]1(O)CC[C@@H]2C5=COC(C=C5)=O 1 compound(s) in CSDB (view)
katacine SMILES O{7}C1=CC2=C([C@H](C3={57}C(O)C={55}C(O)C([C@H](C4={107}C(O)C={105}C(O)C(C{103}[C@H]5O)=C4O[C@@H]5C6=C{113}C(O)={114}C(O){115}C(O)=C6){53}[C@H]7O)=C3O[C@@H]7C8=C{63}C(O)={64}C(O){65}C(O)=C8){3}[C@@H](O)[C@@H](C9=C{13}C(O)={14}C(O){15}C(O)=C9)O2){5}C(O)=C1 2 compound(s) in CSDB (view)
galtonioside A aglycon SMILES C[C@H]1[C@H]2[C@@H](O[C@@H](/C=C(C)\C){22}[C@@H]1O)C[C@@H]3[C@]2(C)C{11}[C@@H](O)[C@H]4[C@H]3CC[C@H]5[C@]4({19}CO){1}[C@@H](O)C[C@H](OC(C6=CC(OC)=C(OC)C(OC)=C6)=O)C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]1[C@H]2[C@@H](O[C@@H](/C=C(C)\C)[C@@H]1O)C[C@@H]3[C@]2(C)C[C@@H](O)[C@H]4[C@H]3CC[C@H]5[C@]4(CO)[C@@H](O)C[C@H](OC(C6=CC(OC)=C(OC)C(OC)=C6)=O)C5$
microcarpin SMILES O{8}C1=CC=CC(C(C2=C3{1}C(O)=C(C4={58}C(O)C5=C(C(C(C=C(C)C={51}C6O)=C6C5=O)=O)C=C4)C(C)=C2)=O)=C1C3=O 1 compound(s) in CSDB (view)
maclurin SMILES O{4}C1={3}C(O)C=C(C(C2={52}C(O){53}C={54}C(O)C={56}C2O)=O)C=C1 2 compound(s) in CSDB (view)
(3-hydroxyphenyl)-(2,3,5,6-tetrahydroxyphenyl)methanone telephenone C aglycon SMILES O=C(C1={52}C(O){53}C(O)={54}C{55}C(O)={56}C1O)C2=C{3}C(O)=CC=C2 1 compound(s) in CSDB (view)
(6aR,11aR)-3-hydroxy-9,10-dimethoxypterocarpan astrapterocarpan SMILES COC1=C(OC)C2=C([C@@H]3COC4=C(C=C{3}C(O)=C4)[C@@H]3O2)C=C1 2 compound(s) in CSDB (view)
maackiain SMILES O{3}C(C=C1)=CC2=C1[C@H](OC3=CC4=C(OCO4)C=C53)[C@H]5CO2 2 compound(s) in CSDB (view)
enmenol SMILES CC1(C)CC{1}[C@H](O)[C@]23[C@@H]1{6}[C@H](O){7}[C@](OC3)(O)[C@]45[C@H]2CC[C@@H](C([C@H]{15}5O)=C){14}[C@H]4O 1 compound(s) in CSDB (view)
2-(3,4-dihydroxyphenyl)-5-methyl-8-hydroxypyrano[4,3,2-de]-1-benzopyrylium SMILES O{8}C1=CC2=C(C3=CC(C4=CC={54}C(O){53}C(O)=C4)=[O+]2)C(OC(C)=C3)=C1
2-(3,4,5-trihydroxyphenyl)-5-methyl-8-hydroxypyrano[4,3,2-de]-1-benzopyrylium SMILES O{8}C1=CC2=C(C3=CC(C4=C{55}C(O)={54}C(O){53}C(O)=C4)=[O+]2)C(OC(C)=C3)=C1
R1-barrigenol-23-oic acid SMILES C[C@]12CC{3}[C@H](O)[C@]({23}C(O)=O)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C){15}[C@@H](O){16}[C@@H](O)[C@]5({28}CO)[C@H]4CC(C)(C){21}[C@@H](O){22}[C@@H]5O 3 compound(s) in CSDB (view)
4-(3-hydroxybutyl)-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one SMILES CC(C(CC{9}C(O)C)C({11}CO)=C1)(C)CC1=O 2 compound(s) in CSDB (view)
6-(3-hydroxybutyl)-5,5-dimethyl-3-oxocyclohex-1-ene-1-carboxylic acid SMILES CC(C(CC{9}C(O)C)C({11}C(O)=O)=C1)(C)CC1=O 2 compound(s) in CSDB (view)
2-(3-hydroxybutyl)-1,3-dimethyl-5-oxocyclohex-3-ene-1-carboxylic acid SMILES CC(C(CC{9}C(O)C)C(C)=C1)({12}C(O)=O)CC1=O 1 compound(s) in CSDB (view)
phyllaemblic acid SMILES C[C@@H]1CO[C@@]2(C({6}[C@@]3(O){1}[C@@H](O)C[C@H]({13}C(O)=O)C[C@H]3O2)=O)C[C@@H]1OC(C4=CC=CC=C4)=O 3 compound(s) in CSDB (view)
bellericagenin A SMILES C[C@@]12{7}[C@H](O)C[C@@H]3[C@@](C{2}[C@@H](O){3}[C@H](O)[C@@]3(C){27}CO)(C)[C@H]1CC=C4[C@@]2(C)CC[C@]5({28}C(O)=O)[C@H]4CC(C)(C)CC5 1 compound(s) in CSDB (view)
peruvianursenol C SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C([C@H]2[C@H]1C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)C5(C)C 1 compound(s) in CSDB (view)
9α-hydroxy-3-deoxyzaluzanin C SMILES C=C1CC[C@@H]2[C@H]1[C@@H]3[C@H](C(C(O3)=O)=C)C{9}[C@@H](O)C2=C
ugandoside aglycon SMILES C=C1C(O)C{5}[C@@]2(O)C1{1}[C@H](O)OC=C2C=O 2 compound(s) in CSDB (view)
strictomoside aglycon SMILES C=C1{7}[C@@H](O)C{5}[C@@]2(O)C1{1}[C@H](O)OC=C2{10}C(O)=O 1 compound(s) in CSDB (view)
lab-13(E)-en-8α,15,19-triol SMILES C[C@]1({19}CO)CCC[C@@]2(C)C1CC{8}[C@@](C)(O)[C@@H]2CC/C(C)=C/{15}CO 1 compound(s) in CSDB (view)
sennidin A SMILES O{5}C1=CC=CC2=C1C(C3=C(C=C({11}C(O)=O)C={4}C3O)[C@@H]2[C@@H]4C5=C(C(C6=C4C=C({61}C(O)=O)C={54}C6O)=O){55}C(O)=CC=C5)=O 1 compound(s) in CSDB (view)
sennidin B SMILES O{5}C1=CC=CC2=C1C(C3=C(C=C({11}C(O)=O)C={4}C3O)[C@@H]2[C@H]4C5=C(C(C6=C4C=C({61}C(O)=O)C={54}C6O)=O){55}C(O)=CC=C5)=O 1 compound(s) in CSDB (view)
decarboxyquinovic acid SMILES C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC{28}[C@H](O)C(C5CC[C@@]4(C)[C@@H]3CC[C@@]2({3}C(O)=O)CC[C@H]1C)(C)C 1 compound(s) in CSDB (view)
hyrcanoside aglycon SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C{3}[C@@H](O)CC[C@]34C=O){14}[C@@]1(O)CCC2C5=CC(OC5)=O 2 compound(s) in CSDB (view)
nodakenine aglycon SMILES O{54}C(C)(C)[C@H](C1)CC(C1=C2)=CC3=C2OC(C=C3)=O
marmesinine aglycon SMILES O{54}C(C)(C)[C@@H](C1)CC(C1=C2)=CC3=C2OC(C=C3)=O 1 compound(s) in CSDB (view)
(+)-columbianetin SMILES C{52}C(O)(C)[C@@H]1CC2=C(O1)C=CC3=C2OC(C=C3)=O
14-hydroxydiginigenin SMILES C[C@H]1[C@@H]2CC({14}[C@]3([C@@]2([C@@H](O1)C([C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)=O)C)O)=O
2α-hydroxyeudesma-4,11(13)-dien-12,8β-olide SMILES CC1=C(CC(C(C(O2)=O)=C)C2C3)[C@]3(C)C{2}[C@@H](O)C1
tomentoside aglycon SMILES O{23}[C@H]1C[C@@H](C)[C@H]2[C@H](C[C@]3(C)[C@]2(C)CC[C@]45[C@H]3C{6}[C@H](O)[C@@H]6[C@@]4(CC{3}[C@H](O)C6(C)C)C5)O1
sericic acid SMILES C[C@@]12CC[C@@H]3[C@@](C{2}[C@@H](O){3}[C@H](O)[C@@]3({24}CO)C)(C)[C@H]1CC=C4[C@@]2(C)CC[C@]5({28}C(O)=O)[C@H]4{22}[C@H](O)C(C)(C)CC5
cyclopassifloic acid E SMILES CC(C){24}C(O)({31}CO)CC{20}[C@@](O)(C)[C@H]1{16}[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)({28}C(=O)O){3}[C@@H](O)C{1}[C@H](O)[C@@]45C[C@@]35CC[C@]12C 1 compound(s) in CSDB (view)
cyclopassifloic acid A SMILES CC([C@](CO)(C[C@@H](O)[C@H]([C@H]1CC[C@]2([C@@H]3CC[C@H]4[C@]({28}C(O)=O)([C@H](C[C@@H]([C@@]45C[C@@]35CC[C@]12C)O)O)C)C)C)O)C 1 compound(s) in CSDB (view)
cyclopassifloic acid C SMILES CC([C@](CO)(CC[C@@]([C@H]1CC[C@]2([C@@H]3CC[C@H]4[C@]({28}C(O)=O)([C@H](C[C@@H]([C@@]45C[C@@]35CC[C@]12C)O)O)C)C)(O)C)O)C 1 compound(s) in CSDB (view)
cyclopassifloic 4 compound(s) in CSDB (view)
laetiposide E aglycon SMILES CC(C(CC[C@@H]({21}C(O)=O)[C@H]1CC[C@]2(C)[C@]1(C)CCC3=C2{7}[C@H](O)C[C@@H]4[C@]3(C)CC{3}[C@H](O)C4(C)C)=C)C 2 compound(s) in CSDB (view)
laetiposide F aglycon SMILES CC(C(CC[C@@H]({21}C(O)=O)[C@H]1C{15}[C@H](O)[C@]2(C)[C@]1(C)CCC3=C2{7}[C@H](O)C[C@@H]4[C@]3(C)CC{3}[C@H](O)C4(C)C)=C)C 1 compound(s) in CSDB (view)
vomilenine SMILES C/C=C1[C@@H]2C[C@H]3C4=NC5=CC=CC=C5[C@]46C[C@H](N3{21}[C@@H]\1O)C2[C@H]6OC(C)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C=C1[C@@H]2C[C@H]3C4=NC5=CC=CC=C5[C@]46C[C@H](N3[C@@H]\1O)C2[C@H]6OC(C)=O$
dunnisinoside aglycon SMILES COC(C1=CO{1}[C@@H](O)[C@H]2[C@@H]1C=C[C@@]23{10}[C@H](O)[C@@H](CC4=CC={54}C(O)C=C4)C(O3)=O)=O 1 compound(s) in CSDB (view)
skyrin SMILES CC1=CC2=C(C(C3=C(C(C4=C5C(C(C6=C(C=C(C)C={1}C6O)C5=O)=O)={8}C(O)C={6}C4O)={56}C(O)C={58}C3O)C2=O)=O){51}C(O)=C1 3 compound(s) in CSDB (view)
podorhizol SMILES COC1=CC({6}[C@@H](O)[C@@H]2[C@@H](CC3=CC4=C(OCO4)C=C3)COC2=O)=CC(OC)=C1OC 1 compound(s) in CSDB (view)
9-dehydrohecogenin SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C{3}[C@@H](O)CC[C@]5(C)C4=CC([C@@]32C)=O)O[C@]16CC[C@@H](C)CO6 1 compound(s) in CSDB (view)
(22S,23S)-22-(2-methyl-1-propenyl)-16β,23:18,23-diepoxy-24-norchola-5-ene-3β-ol candicanoside A aglycon SMILES C[C@@H]1[C@@H](/C=C(C)\C)[C@H]2OC[C@@]34[C@@H]1[C@H](C[C@H]3[C@@H]5CC=C6C{3}[C@@H](O)CC[C@]6(C)[C@H]5CC4)O2 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H]1[C@@H](/C=C(C)\C)[C@H]2OC[C@@]34[C@@H]1[C@H](C[C@H]3[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC4)O2$
schidigeragenin A SMILES C[C@H]1[C@H]2[C@@H](O[C@]13CCC(CO3)=C)C[C@@H]4[C@]2(C)CC[C@H]5[C@H]4CC[C@H]6[C@]5(C)CC{3}[C@H](O)C6 3 compound(s) in CSDB (view)
schidigeragenin B SMILES C[C@H]1[C@H]2[C@@H](O[C@]13CCC(CO3)=C)C[C@@H]4[C@]2(C)C(C[C@H]5[C@H]4CC[C@H]6[C@]5(C)CC{3}[C@H](O)C6)=O 1 compound(s) in CSDB (view)
schidigeragenin C SMILES C[C@H]1[C@H]2[C@@H](O[C@]13CCC(CO3)=C)C[C@@H]4[C@]2(C)CC[C@H]5[C@H]4CC[C@H]6[C@]5(C)C{2}[C@H](O){3}[C@H](O)C6 5 compound(s) in CSDB (view)
schidigerasaponin D aglycon SMILES C[C@H]1[C@H]2[C@@H](O[C@]13CCC(C)(C)CO3)C[C@@H]4[C@]2(C)CC[C@H]5[C@H]4CC[C@H]6[C@]5(C)CC{3}[C@H](O)C6
schidigerasaponin E1 aglycon SMILES C[C@H]1[C@H]2[C@@H](O[C@]13CCC(C)(C)CO3)C[C@@H]4[C@]2(C)C(C[C@H]5[C@H]4CC[C@H]6[C@]5(C)CC{3}[C@H](O)C6)=O 1 compound(s) in CSDB (view)
schidigerasaponin F aglycon SMILES C[C@H]1[C@H]2[C@@H](O[C@]13CCC(C)(C)CO3)C[C@@H]4[C@]2(C)CC[C@H]5[C@H]4CC[C@H]6[C@]5(C)C{2}[C@H](O){3}[C@H](O)C6 2 compound(s) in CSDB (view)
trifochalcanoloside I aglycon SMILES COC1=C{4}C(O)=C{6}C(O)=C1[C@H]2[C@H]([C@@H](O)C3=CC=CC=C3)O2 1 compound(s) in CSDB (view)
trifochalcanoloside II aglycon SMILES COC1=C([C@H]2[C@H]({9}[C@@H](O)C3=CC=CC=C3)O2){6}C(O)=C{4}C(O)={3}C1O 1 compound(s) in CSDB (view)
trifochalcanoloside III aglycon SMILES COC1=C({6}C(O)=C{4}C(O)={3}C1O){7}[C@@H]({8}[C@@H](O){9}[C@H](C2=CC=CC=C2)O)O 1 compound(s) in CSDB (view)
combretastatin A-1 SMILES COC1={3}C(O){2}C(O)=C(/C=C\C2=CC(OC)=C(OC)C(OC)=C2)C=C1 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES COC1=C(O)C(O)=C(/C=C\C2=CC(OC)=C(OC)C(OC)=C2)C=C1$
combretastatin B-1 SMILES COC1={3}C(O){2}C(O)=C(CCC2=CC(OC)=C(OC)C(OC)=C2)C=C1 1 compound(s) in CSDB (view)
acovenosigenin = 1β-hydroxydigitoxigenin SMILES O{3}[C@H]1C{1}[C@H](O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](C(CO5)=CC5=O)CC{14}[C@]4(O)[C@]3([H])CC[C@@]([H])2C1 3 compound(s) in CSDB (view)
ouabagenin SMILES O{3}[C@H]1C{1}[C@@H](O)[C@]2({23}CO)[C@@H]3[C@H]({14}[C@@]4(O)CC[C@H](C5=CC(OC5)=O)[C@@]4(C)C{11}[C@H]3O)CC{5}[C@]2(O)C1 3 compound(s) in CSDB (view)
escinol aglycon SMILES C[C@]12CC{3}[C@H](O)[C@](C)({24}CO)C1CC[C@]3(C)C2CC=C4[C@@]3(C)C{16}[C@@H](O)[C@]5({28}CO)[C@H]4CC(C)(C){21}[C@H](O){22}[C@H]5O 1 compound(s) in CSDB (view)
6-gingerdiol SMILES CCCCC{5}[C@H](O)C{3}[C@H](O)CCC1=CC(OC)={54}C(O)C=C1 2 compound(s) in CSDB (view)
lactucin SMILES CC1=C2[C@H](C({15}CO)=CC2=O)[C@@H]3[C@H](C(C(O3)=O)=C){8}[C@@H](O)C1 1 compound(s) in CSDB (view)
8-deoxylactucin SMILES CC1=C2[C@H](C({15}CO)=CC2=O)[C@@H]3[C@H](C(C(O3)=O)=C)CC1 1 compound(s) in CSDB (view)
21-hydroxycimigenol SMILES {21}C(O)[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2{25}C(C)(C)O){15}[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C){3}[C@@H](O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 2 compound(s) in CSDB (view)
4-hydroxyalangifolioside aglycon SMILES O{4}C1=CC(CC2={52}C(O)C({57}C(O)=O)={56}C(O)C=C2)={1}C(O)C=C1 1 compound(s) in CSDB (view)
adoxosidic acid aglycon SMILES OC[C@@H]1[C@@H]([C@H](O)OC=C2C(O)=O)[C@@H]2CC1 1 compound(s) in CSDB (view)
8-epiadoxosidic acid aglycon SMILES OC[C@H]1[C@@H]([C@H](O)OC=C2C(O)=O)[C@@H]2CC1
bonaspectin aglycon core SMILES C[C@@H]1[C@@H](C)[C@H](C2=CC(OC)={54}C(O)C(OC)=C2)O[C@@H]1C3=CC(OC)=C(OC)C(OC)=C3 2 compound(s) in CSDB (view)
avenacin A aglycon core SMILES C[C@]12CC{3}[C@H](O)[C@@](C)({23}CO)[C@@H]1CC[C@]3(C)[C@@H]2C[C@@H]4[C@@]5(O4)[C@@]3(C)C{16}[C@H](O)[C@]6(C)[C@H]5C[C@@](C)(C=O){21}[C@@H](O)C6 2 compound(s) in CSDB (view)
avenacin B aglycon core SMILES C[C@]12CC{3}[C@H](O)C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2C[C@@H]4[C@@]5(O4)[C@@]3(C)C{16}[C@H](O)[C@]6(C)[C@H]5C[C@@](C)(C=O){21}[C@@H](O)C6 2 compound(s) in CSDB (view)
betanidin SMILES O{4}C(C=C1/2)={5}C(O)C=C1C[C@@H](C([O-])=O)[N+]2=C/C=C3C[C@@H]({58}C(O)=O)NC({56}C(O)=O)=C/3 1 compound(s) in CSDB (view)
phyllanthusol aglycon core SMILES C[C@H]1CO[C@@]2({7}[C@H](O){6}[C@@]3(O){1}[C@@H](O)C[C@H]({13}C(O)=O)C[C@H]3O2)C{10}[C@H]1O 2 compound(s) in CSDB (view)
pierisformoside B aglycon SMILES C{16}[C@@]1(O)C[C@@]23CC{5}[C@@]4(O)[C@@H](C([C@@H]2CC[C@@H]1C3)=C)C{3}[C@H](O)C4(C)C 1 compound(s) in CSDB (view)
pierisformoside C aglycon SMILES C{16}[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2C(C4=C(C(C)(C){3}[C@@H](O)C4)C=C3)=C 1 compound(s) in CSDB (view)
pierisformoside D-E aglycon SMILES O{3}[C@@H](C1)C(C)(C)C({6}[C@@](C[C@]2(C{16}[C@]3(O)C)[C@H]4CC[C@@H]3C2)(O)[C@H]1C4=C)=O 2 compound(s) in CSDB (view)
pierisformoside F aglycon SMILES O{3}[C@@H](C1)C(C)(C)C([C@H](C[C@]2(C{16}[C@]3(O)C)[C@H]4CC[C@@H]3C2)[C@H]1C4=C)=O 2 compound(s) in CSDB (view)
hydroxyjasmonic acid SMILES O=C1CC[C@H](C{102}C(O)=O)[C@H]1C/C=C\C{55}CO	$Subst // Subst = SMILES O=C1CC[C@H](CC(O)=O)[C@H]1C/C=C\CCO$
(+)-erysopine SMILES CO[C@@H]1C[C@@]23C(C=C1)=CCN2CCC4=C{16}C(O)={15}C(O)C=C34 2 compound(s) in CSDB (view)
3'-hydroxyphloretin SMILES O=C(C1={6}C(C={4}C({3}C={2}C1O)O)O)CCC2=C{53}C(O)={54}C(O)C=C2 1 compound(s) in CSDB (view)
1H-indol-3-ol SMILES O{3}C1={1}CNC2=CC=CC=C21 1 compound(s) in CSDB (view)
(-)-massoniresinol SMILES COC1={104}C(O)C=CC(C{4}[C@@]2(O)CO[C@H](C3=CC(OC)={54}C(O)C=C3){3}[C@@]2(O){153}CO)=C1 1 compound(s) in CSDB (view)
tuberonic acid SMILES O=C1CC[C@H](C{102}C(O)=O)[C@@H]1C/C=C\C{55}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES O=C1CC[C@H](CC(O)=O)[C@@H]1C/C=C\CCO$
diphyllin SMILES COC1=C(C=C2C(=C1)C(=C3C(={9}C2O)COC3=O)C4=CC5=C(C=C4)OCO5)OC 3 compound(s) in CSDB (view)
hellebrigenin = bufotalidin SMILES O{3}[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](C5=COC(C=C5)=O)CC{14}[C@]4(O)[C@@H]3CC{5}[C@]2(O)C1 2 compound(s) in CSDB (view)
5-exo-hydroxycamphor SMILES O=C1[C@@](C)(C2(C)C)C{5}[C@@H](O)[C@@H]2C1 1 compound(s) in CSDB (view)
zaluzanin C SMILES C=C1CC[C@@H]2[C@H](OC(C2=C)=O)[C@@H]3[C@H]1C{3}[C@H](O)C3=C 1 compound(s) in CSDB (view)
bis(3,4-dihydroxyphenyl)methandiol SMILES O{53}C1={54}C(O)C=CC({1}C(O)(O)C2=C{103}C(O)={104}C(O)C=C2)=C1 1 compound(s) in CSDB (view)
(-)-cis-chrysanthenol SMILES O{1}[C@@H]1[C@H]2C(C)=CC[C@@H]1C2(C)C 2 compound(s) in CSDB (view)
3β,16α,23α-epoxycucurbita-5,24-dien-ll-one SMILES C{20}[C@]1(O)C[C@H](/C=C(C)\C)O[C@H]2[C@H]1[C@](CC([C@]3(C)[C@H]4CC=C5C3CC{3}C(O)C5(C)C)=O)(C)[C@@]4(C)C2 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]1(O)C[C@H](/C=C(C)\C)O[C@H]2[C@H]1[C@](CC([C@]3(C)[C@H]4CC=C5C3CCC(O)C5(C)C)=O)(C)[C@@]4(C)C2$
canavaliol SMILES C[C@@]12CCC[C@@](C)({19}C(O)=O)[C@H]1{6}[C@H](O){7}[C@H](O)[C@]34[C@H]2CC{13}[C@]({16}[C@]({17}CO)(O)C4)(O)C3 1 compound(s) in CSDB (view)
tracherogenin SMILES COC1=C(OC)C=CC(C[C@@H]2COC({2}[C@@]2(CC3=CC(OC)={54}C(O)C=C3)O)=O)=C1 1 compound(s) in CSDB (view)
sesquiterpene 1 SMILES CC1={3}C(O)C=C2{5}[C@](C)(O){6}[C@@H](O)C[C@@H](C(C)C)C2=C1 2 compound(s) in CSDB (view)
12β,21,23ξ,29-tetrahydroxytirucalla-7,24-dien-3-one SMILES C/C(C)=C\{23}C(O)C[C@H]([C@@H]1CC[C@@]2(C)[C@@]1(C){12}[C@H](O)CC3C2=CC[C@@H]4[C@]3(C)CCC([C@@]4({29}CO)C)=O){21}CO 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\C(O)C[C@H]([C@@H]1CC[C@@]2(C)[C@@]1(C)[C@H](O)CC3C2=CC[C@@H]4[C@]3(C)CCC([C@@]4(CO)C)=O)CO$
integrifoside A aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](C(C)=C){8}[C@H](O)C2){4}[C@@]1(O)C 1 compound(s) in CSDB (view)
integrifoside B aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](C(C)=C){8}[C@@H](O)C2){4}[C@@]1(O)C 1 compound(s) in CSDB (view)
integrifonol A SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](C{7}[C@](C(C)=C)(O){8}[C@H](O)C2){4}[C@@]1(O)C 1 compound(s) in CSDB (view)
integrifoside D aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](C[C@H]({11}C(C)(O)C)C(C2)=O){4}[C@@]1(O)C 1 compound(s) in CSDB (view)
(2S,3R)-dihydrodehydroconiferyl alcohol SMILES O{54}C1=CC=C([C@H]2OC3=C(C=C(CCCO)C=C3OC)[C@@H]2CO)C=C1OC 3 compound(s) in CSDB (view)
euscaphic acid SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C{2}[C@H]({3}[C@H](C5(C)C)O)O)C)C)[C@@H]2{19}[C@]1(C)O)C){28}C(=O)O 1 compound(s) in CSDB (view)
inermoside aglycon SMILES O{28}C([C@]12CC[C@@H](C(C)=C)[C@@H]1[C@H]3C{11}[C@@H](O)[C@H]4[C@](CC[C@@H](C(C)=C)[C@@]4(CCC(OC)=O)C)(C)[C@]3(C)CC2)=O 1 compound(s) in CSDB (view)
1-deoxychiisanoside aglycon SMILES O{28}C([C@]12CC[C@@H](C(C)=C)[C@@H]1[C@H]3C[C@@H]4[C@H]5[C@](CC[C@@H](C(C)=C)[C@]5(C)CCC(O4)=O)(C)[C@]3(C)CC2)=O 1 compound(s) in CSDB (view)
24-hydroxychiisanogenin SMILES O{28}C([C@]12CC[C@@H](C(C)=C)[C@@H]1[C@H]3C[C@@H]4[C@H]5[C@](CC[C@@H](C({24}CO)=C)[C@]5(C){1}[C@H](O)CC(O4)=O)(C)[C@]3(C)CC2)=O 1 compound(s) in CSDB (view)
11-deoxyisochiisanoside aglycon SMILES O{28}C([C@]12CC[C@@H](C(C)=C)[C@@H]1[C@H]3CC[C@H]4[C@](CC[C@@H]5[C@]4(C)[C@@H](C{3}C(O)=O)OC5(C)C)(C)[C@]3(C)CC2)=O 1 compound(s) in CSDB (view)
pachygenol SMILES C[C@]12CCC3C(CC=C4[C@]3({23}CO)CC{3}[C@H](O)C4){14}[C@@]1(O)CCC2C5=CC(OC5)=O 1 compound(s) in CSDB (view)
obtusine SMILES C[C@]12CCC3C(CC=C4[C@]3(C)CC{3}[C@H](O)C4)C1[C@@H](OC{22}[C@](C)(O)N5)[C@H]5{17}[C@]2({20}[C@H](O)C)O 1 compound(s) in CSDB (view)
obtusolactam SMILES C[C@]12CCC3C(CC=C4[C@]3(C)CC{3}[C@H](O)C4)C1[C@@](CC(N5)=O)(C)[C@H]5{17}[C@]2({20}[C@H](O)C)O 1 compound(s) in CSDB (view)
integristerone A SMILES C[C@]12CC[C@H]3C({14}[C@]1(O)CC[C@@H]2{20}[C@]({22}[C@H](O)CC{25}C(C)(O)C)(O)C)=CC([C@H]4[C@]3(C){1}[C@H](O){2}[C@H](O){3}[C@H](O)C4)=O 1 compound(s) in CSDB (view)
randiasaponin I aglycon SMILES C[C@]12CC{3}[C@H](O)[C@@](C)({23}CO)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)CC[C@]5({28}C(O)=O)[C@H]4{19}[C@](C)(O)C(CC5)=C 1 compound(s) in CSDB (view)
randiasaponin V aglycon SMILES C[C@]12CC{3}[C@H](O)C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)CC[C@]5({28}C(O)=O)[C@H]4{19}[C@](C)(O)C(C)(C)CC5
randiasaponin VI,VII aglycon SMILES C[C@]12CC{3}[C@H](O)[C@@](C)({23}CO)[C@@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)CC[C@]5({28}C(O)=O)[C@H]4{19}[C@](C)(O)C(C)(C)CC5
rocaglaol SMILES COC1=CC=C([C@]23[C@H](C4=CC=CC=C4)C{1}[C@@H](O){208}[C@@]2(O)C5=C(C=C(OC)C=C5OC)O3)C=C1 1 compound(s) in CSDB (view)
14,16-dianhydrogitoxigenin SMILES C[C@]12CC{3}[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C(C5=CC(OC5)=O)=CC=C34)C)O 1 compound(s) in CSDB (view)
sitakisogenin SMILES CC1(C){21}[C@@H](O)C[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 1 compound(s) in CSDB (view)
(-)-dihydrocubebin SMILES O{8}C[C@@H]([C@H]({58}CO)CC1=CC2=C(OCO2)C=C1)CC(C=C3)=CC4=C3OCO4 1 compound(s) in CSDB (view)
cartormin aglycon SMILES O=C(C(C(/C=C/C1=CC={13}C(O)C=C1)=O)={5}C2O){2}[C@@H](O)C3=C2C=C([C@H]4{19}[C@H](O){20}[C@H](O)CO4)N3 1 compound(s) in CSDB (view)
3β,15α-dihydroxy-24-methylene-5α-lanosta-8-ene-21-oic acid sulfurenic acid SMILES CC(C(CC[C@@H]({21}C(O)=O)[C@H]1C{15}[C@H](O)[C@]2(C)[C@]1(C)CCC3=C2CC[C@@H]4[C@]3(C)CC{3}[C@H](O)C4(C)C)=C)C 1 compound(s) in CSDB (view)
eupteleogenin SMILES C[C@]12CC{3}[C@@H](C([C@@H]1CC[C@@]3([C@@H]2[C@H]4[C@H](O4)[C@@]56[C@]3(CC[C@@]7([C@H]5CC(=C)CC7)C(=O)O6)C)C)(C)C)O 2 compound(s) in CSDB (view)
gibberellin A34 SMILES O{2}[C@@H]1{3}[C@H](O)[C@]2(C)[C@@H]([C@H]({16}C(O)=O)[C@@]3(CC4=C)C[C@H]4CC[C@H]35)[C@@]5(OC2=O)C1 3 compound(s) in CSDB (view)
13-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxytridecan-4-one broussonetinine A SMILES O{6}C[C@@H](N1){3}[C@H](O){4}[C@H](O)[C@H]1CCCCCCCCCC(CC{63}CO)=O 1 compound(s) in CSDB (view)
4-(cyclohexen-1-yl)but-3-yn-2-ol enyne alcohol SMILES C{9}C(O)C#CC1=CCCCC1 1 compound(s) in CSDB (view)
(1S)-4-[(3R)-3-hydroxybut-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol enynediol SMILES C{9}[C@@H](O)C#CC1=C(C)C{4}[C@H](O)CC1(C)C 1 compound(s) in CSDB (view)
hemsleyanoside A aglycon SMILES O{61}C(C=C/12)={62}C{63}C(O)=C2[C@H](C3=C{11}C(O)={12}C{13}C(O)=C3)[C@@H](C4=CC={4}C(O)C=C4)C1=C\C5=CC={54}C(O)C=C5 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC(C=C/12)=CC(O)=C2[C@H](C3=CC(O)=CC(O)=C3)[C@@H](C4=CC=C(O)C=C4)C1=C\C5=CC=C(O)C=C5$
hemsleyanoside B aglycon SMILES O{4}C(C=C1)=CC=C1[C@H](O2)[C@H](C3=C{11}C(O)={12}C{13}C(O)=C3)C4=C2{62}C={61}C(O)C=C4/C=C/C5=CC={54}C(O)C=C5 1 compound(s) in CSDB (view)
hemsleyanoside C aglycon SMILES OC(C=C12)={112}CC(O)=C2[C@@H](C3=CC=C(O)C=C3)[C@H](C4=C5C(O)={62}CC6=C4[C@@H](C7=CC(O)=CC(O)=C7)[C@H](C8=CC=C(O)C=C8)O6)[C@@H]1[C@@H]5C9=CC=C(O)C=C9 1 compound(s) in CSDB (view)
hemsleyanoside D aglycon SMILES OC(C=C12)={62}CC(O)=C2[C@@H](C3=CC=C(O)C=C3)[C@H](C4=C5[C@@H](C6=C7C(O)=CC(O)=C6)[C@H](C8=CC=C(O)C=C8)OC5=CC(O)=C4)[C@H]1[C@H]7C9=CC=C(O)C=C9 1 compound(s) in CSDB (view)
wistariasapogenol C SMILES C[C@]1({24}CO){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@](C)({29}C(O)=O)C{22}[C@@H](O)[C@@](C)5CC[C@](C)4[C@@](C)3CC[C@@]12[H]
scandenoside R1 aglycon SMILES C/C({23}CO)=C\CC{18}C([C@H]1CC[C@]2(C)[C@]1(C)CC([C@]3(C)[C@H]2CC=C4[C@H]3CC{3}[C@H](O)C4(C)C)=O)(O)C	$Subst // Subst = SMILES C/C(CO)=C\CCC([C@H]1CC[C@]2(C)[C@]1(C)CC([C@]3(C)[C@H]2CC=C4[C@H]3CC[C@H](O)C4(C)C)=O)(O)C$
scandenoside R2 aglycon SMILES C/C({23}CO)=C/CC{18}C([C@H]1CC[C@]2(C)[C@]1(C)CC([C@]3(C)[C@H]2CC=C4[C@H]3CC{3}[C@H](O)C4(C)C)=O)(O)C
scandenoside R5 aglycon SMILES C[C@@H]([C@H]1CC[C@]2(C)[C@]1(C)CC([C@]3(C)[C@H]2CC=C4[C@H]3CC{3}[C@H](O)C4(C)C)=O)CC/C=C({23}CO)/C
scandenoside R6 aglycon SMILES C[C@@H]([C@H]1CC[C@]2(C)[C@]1(C)C{11}[C@@H](O)[C@]3(C)[C@H]2CC=C4[C@H]3CC{3}[C@H](O)C4(C)C)CC/C=C({23}CO)/C
scandenoside R7 aglycon SMILES C[C@@H]([C@H]1CC[C@]2(C)[C@]1(C)C{11}[C@H](O)[C@]3(C)[C@H]2CC=C4[C@H]3CC{3}[C@H](O)C4(C)C)CC/C=C(C)/C
carnosifloside I aglycon SMILES C[C@@H]([C@H]1CC[C@]2(C)[C@]1(C)CC([C@]3(C)[C@H]2CC=C4[C@H]3CC{3}[C@H](O)C4(C)C)=O)CC/C=C({23}CO)\C	$Subst // Subst = SMILES C[C@@H]([C@H]1CC[C@]2(C)[C@]1(C)CC([C@]3(C)[C@H]2CC=C4[C@H]3CC[C@H](O)C4(C)C)=O)CC/C=C(CO)\C$
carnosifloside V aglycon SMILES C[C@@H]([C@H]1CC[C@]2(C)[C@]1(C)C{11}[C@@H](O)[C@]3(C)[C@H]2CC=C4[C@H]3CC{3}[C@H](O)C4(C)C)CC/C=C({23}CO)\C	$Subst // Subst = SMILES C[C@@H]([C@H]1CC[C@]2(C)[C@]1(C)C[C@@H](O)[C@]3(C)[C@H]2CC=C4[C@H]3CC[C@H](O)C4(C)C)CC/C=C(CO)\C$
dihydrocucurbitacin F SMILES C[C@@]12C{16}[C@@H](O)[C@H]({18}[C@](C(CC{22}C(C)(O)C)=O)(O)C)[C@@]1(C)CC([C@]3(C)[C@H]2CC=C4[C@H]3C{2}[C@H](O){3}[C@@H](O)C4(C)C)=O
crotaramosmin SMILES O{54}C1=CC=C(C=C1)C(O2)CC(C3=C2C=CC(C/C=C(C)\C)={5}C3O)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC1=CC=C(C=C1)C(O2)CC(C3=C2C=CC(C/C=C(C)\C)=C3O)=O$
annuioinone G SMILES CC(C{3}[C@H](O)C{5}[C@@]1(C)O)(C)C1=C=C{9}[C@H](O)C 1 compound(s) in CSDB (view)
3β,4β-bis(4-hydroxyphenyl)cyclobutane-1α,2α-dicarboxylic acid 4,4'-dihydroxy-β-truxinic acid SMILES O={9}C(O)[C@@H]1[C@H]({59}C(O)=O)[C@@H](C2=CC={4}C(O)C=C2)[C@H]1C3=CC={54}C(O)C=C3 1 compound(s) in CSDB (view)
moracin P SMILES CC1(C){3}C(O)CC2=C(C=C3C(C=C(C4=C{53}C(O)=C{55}C(O)=C4)O3)=C2)O1 1 compound(s) in CSDB (view)
peaoniflorigenin SMILES C[C@]12C{4}[C@]3(O)[C@@H]4C{1}[C@@]1(O)[C@]4(COC(C5=CC=CC=C5)=O)[C@@H](O3)O2 1 compound(s) in CSDB (view)
3-oxo-12,16β,21β,22-tetrahydroxyhopane glinoside A aglycon SMILES C[C@]12CCC(C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2C{12}[C@@H](O)[C@H]4[C@@]3(C)C{16}[C@H](O)[C@H]5[C@]4(C)CC{21}[C@]5(O){22}C(C)(O)C)=O 1 compound(s) in CSDB (view)
3-oxo-12,16β,22-trihydroxyhopane glinoside B aglycon SMILES C[C@]12CCC(C(C)(C)[C@@H]1CC[C@]3(C)[C@@H]2C{12}[C@@H](O)[C@H]4[C@@]3(C)C{16}[C@H](O)[C@H]5[C@]4(C)CC[C@@H]5{22}C(C)(O)C)=O 1 compound(s) in CSDB (view)
1-hydroxy-5(E)-tridecene-7,9,11-triyne SMILES CC#CC#CC#C/C=C/CC{2}C({1}CO)O 1 compound(s) in CSDB (view)
1-hydroxy-6(E)-tetradecene-8,10,12-triyne SMILES CC#CC#CC#C/C=C/CC{3}C(C{1}CO)O 1 compound(s) in CSDB (view)
(E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N 12 compound(s) in CSDB (view)	$Subst // Subst = SMILES O[C@H]1C[C@@H](O)/C([C@H](O)[C@H]1O)=C\C#N$
13-hydroxyblumenol C = nicoblumin aglycon SMILES O=C(CC(C)(C)[C@H]1CC{11}[C@H](O)C)C=C1{13}CO 1 compound(s) in CSDB (view)
13-carboxyblumenol C SMILES O=C(CC(C)(C)[C@H]1CC{11}[C@H](O)C)C=C1{13}C(O)=O 1 compound(s) in CSDB (view)
19-oxo-5α-carda-14,20(22)-dien-3-ol SMILES O{3}C1CC[C@@]2(C)C(CCC3C2CC[C@@]4(C)C3=CCC4C(CO5)=CC5=O)C1 1 compound(s) in CSDB (view)
cucurbitacin I SMILES C[C@@]12C{16}[C@@H](O)[C@H]({20}[C@](C(/C=C/{25}C(C)(O)C)=O)(O)C)[C@@]1(C)CC([C@]3(C)[C@H]2CC=C4[C@H]3C={2}C(O)C(C4(C)C)=O)=O 2 compound(s) in CSDB (view)
quadranoside VI aglycon SMILES CC1=C(C)[C@H]2C3=CC[C@H]4[C@](C{6}[C@@H](O)[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5({24}CO)C)(C)[C@]3(C)CC[C@@]2({28}C(O)=O)CC1 1 compound(s) in CSDB (view)
quadranoside VII aglycon SMILES C[C@@]1({24}CO){3}[C@@H](O){2}[C@H](O)C[C@@]2(C)[C@H]1{6}[C@H](O)C[C@]3(C)[C@@H]2CC=C([C@@H]45)[C@@]3(C)CC[C@@]4({28}C(O)=O)CC[C@@H](C)C5=C 1 compound(s) in CSDB (view)
2α,3β,23-trihydroxyurs-12,19(29)-diene-28-oic acid quadranoside VIII aglycon SMILES C[C@@]1({24}CO){3}[C@@H](O){2}[C@H](O)C[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC=C([C@@H]45)[C@@]3(C)CC[C@@]4({28}C(O)=O)CC[C@@H](C)C5=C 1 compound(s) in CSDB (view)
6β,23-dihydroxytormentic acid SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{22}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)C{6}[C@@H](O)[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5({24}CO)C 2 compound(s) in CSDB (view)
quadranoside X aglycon SMILES C[C@@]1({24}CO){3}[C@@H](O){2}[C@H](O)C[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CCC4=C5[C@](CC[C@]43C)({28}C(O)=O)CCC(C)(C)C5 1 compound(s) in CSDB (view)
6β-hydroxyhovenic acid SMILES CC([C@@H]1CC[C@@]2({28}C(O)=O)[C@H]1[C@H]3CC[C@@H]4[C@@]5(C){2}C[C@@H](O){3}[C@H](O)[C@@](C)({24}CO)[C@@H]5{6}[C@H](O)C[C@@]4(C)[C@]3(C)CC2)=C 2 compound(s) in CSDB (view)
tormentic acid = jacarandic acid SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{22}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)C5(C)C 1 compound(s) in CSDB (view)
arjunic acid SMILES C[C@@]12CC[C@@H]3[C@@](C{2}[C@@H](O){3}[C@H](O)C3(C)C)(C)[C@H]1CC=C4[C@@]2(C)CC[C@]5({28}C(O)=O)[C@H]4{22}[C@H](O)C(C)(C)CC5 1 compound(s) in CSDB (view)
combregenin SMILES C[C@@]12CC[C@@]3({28}C(O)=O)CCC(C)(C){22}[C@@H](O)[C@H]3C1=CC[C@H]4[C@@]2(C)C{6}[C@@H](O)[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@@]5({24}CO)C 1 compound(s) in CSDB (view)
2α,3β,23-trihydroxyurs-12,19-dien-28-oic acid SMILES CC1=C(C)[C@H]2C3=CC[C@H]4[C@](C[C@@H][C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5({24}CO)C)(C)[C@]3(C)CC[C@@]2({28}C(O)=O)CC1 1 compound(s) in CSDB (view)
2α,6β-dihydroxybetulic acid quadranoside I aglycon SMILES CC([C@@H]1CC[C@@]2({28}C(O)=O)[C@H]1[C@H]3CC[C@@H]4[C@@]5(C)C{2}[C@@H](O){3}[C@H](O)C(C)(C)[C@@H]5{6}[C@H](O)C[C@@]4(C)[C@]3(C)CC2)=C 1 compound(s) in CSDB (view)
stachlic acid A SMILES C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C{2}[C@H]({3}[C@@H]([C@@]5(C){23}CO)O)O)C)C)[C@@H]2C1)C){28}C(=O)O){29}CO 1 compound(s) in CSDB (view)
asiatic acid = dammarolic acid = quadranoside IV aglycon SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2[C@H]1C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5({23}CO)C 3 compound(s) in CSDB (view)
madecassic acid SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2[C@H]1C)=CC[C@H]4[C@@]3(C)C{6}[C@@H](O)[C@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5({23}CO)C 1 compound(s) in CSDB (view)
quadranoside V aglycon SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C(C2=C1C)=CC[C@H]4[C@@]3(C)C{6}[C@@H](O)[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5({23}CO)C 1 compound(s) in CSDB (view)
2α,3β,6β,19,23-pentahydroxyurs-12-ene-28-oic acid SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)C{6}[C@@H](O)[C@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5({23}CO)C
pinfaensin aglycon SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)C{6}[C@@H](O)[C@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5(C=O)C
tormentic acid SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)C{6}[C@@H](O)[C@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)C5(C)C 1 compound(s) in CSDB (view)
23-dehydroxyquadranoside V aglycon SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C(C2=C1C)=CC[C@H]4[C@@]3(C)C{6}[C@@H](O)[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)C5(C)C
23-dehydroxyquadranoside VI aglycon SMILES CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)C{2}[C@@H](O){3}[C@H](O)C([C@@H]5{6}[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2({28}C(O)=O)CC1)(C)C
macrophyllosaponins aglycon SMILES O{3}[C@H]1C{1}[C@H](O)[C@]23C[C@]24CC[C@]5(C)C([C@@H](CC{21}[C@H](O){22}C(C)(O)C)C)CC[C@@]5(C)C4{7}[C@@H](O)CC3C1(C)C 4 compound(s) in CSDB (view)
isoterrestrosin B aglycon SMILES C[C@H]1CC[C@]2(O{23}C1O)[C@@H](C)[C@H]3[C@H](C[C@@H]4[C@]3(C)CC[C@H]5[C@H]4CC[C@H]6[C@]5(C)CC{3}[C@H](O)C6)O2 1 compound(s) in CSDB (view)
23-hydroxytormentic acid SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{22}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5({24}CO)C 1 compound(s) in CSDB (view)
24-oxotormentic acid SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{22}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5(C=O)C 1 compound(s) in CSDB (view)
6-desoxyquadranoside V aglycon SMILES C[C@@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C(C2=C1C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5({23}CO)C 1 compound(s) in CSDB (view)
6-desoxyquadranoside VI aglycon SMILES CC1=C(C)[C@H]2C3=CC[C@H]4[C@](CC[C@@H]5[C@]4(C)C{2}[C@@H](O){3}[C@H](O)[C@]5({24}CO)C)(C)[C@]3(C)CC[C@@]2({28}C(O)=O)CC1 1 compound(s) in CSDB (view)
arjungenin SMILES C[C@@]12CC[C@@H]3[C@@](C{2}[C@@H](O){3}[C@H](O)[C@]3({24}CO)C)(C)[C@H]1CC=C4[C@@]2(C)CC[C@]5({28}C(O)=O)[C@H]4{22}[C@H](O)C(C)(C)CC5 1 compound(s) in CSDB (view)
pleurogenin SMILES CC([C@H]1{16}[C@H](O){15}[C@@H](O){14}[C@@]2(O)[C@]1(C)CC[C@H]3{8}[C@@]2(O)CC[C@@H]4[C@]3(C)CC{3}[C@H](O)C4)=O 3 compound(s) in CSDB (view)
pregn-5-ene-3β,14β-dihydroxy-7,20-dione SMILES O{3}[C@H](C1)CCC2(C)C1=CC(C3C2CCC4(C){14}[C@]3(O)CC[C@H]4C(C)=O)=O 1 compound(s) in CSDB (view)
17β-pregn-5-en-3β,8β,12β,14β-tetrol-20-one isolineolon SMILES CC([C@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O 22 compound(s) in CSDB (view)
17α-pregn-5-en-3β,8β,12β,14β,15β-pentol-20-one 15β-hydroxylineolon SMILES CC([C@@H]1C{15}[C@@H](O){14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O 15 compound(s) in CSDB (view)
17β-pregn-5-en-3β,8β,12β,14β,15β-pentol-20-one SMILES CC([C@H]1C{15}[C@@H](O){14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O 2 compound(s) in CSDB (view)
17α-pregnan-3β,8β,12β,14β-tetrol-20-one 5,6-dihydrolineolon SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CCC4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O 4 compound(s) in CSDB (view)
(1R,6R,9R)-6,9,11-trihydroxy-4-megastigmen-3-one SMILES CC1=CC(C[C@](C)({11}CO){6}[C@@]1(O)/C=C/{9}[C@H](O)C)=O 1 compound(s) in CSDB (view)
(24S)-β-stigmast-25-ene-3β,5α,7α-triol colebrin B aglycon SMILES CC[C@H](C(C)=C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2{7}[C@H](O)C{5}[C@]4(O)[C@]3(C)CC{3}[C@H](O)C4)C
(3R,8E)-3-hydroxy-5,8-megastigmadien-7-one SMILES CC1(C)C(C(/C=C/C)=O)=C(C)C{4}C(O)C1 1 compound(s) in CSDB (view)
(3S,5R,6S,9R)-megastigmane-3,9-diol SMILES C[C@@H]1C{3}[C@H](O)CC(C)(C)[C@H]1CC{9}[C@H](O)C 2 compound(s) in CSDB (view)
(22R,24E)-16β,22-epoxy-5α-cycloarta-24-ene-3β,26-diol SMILES C[C@@H]1[C@@H](C/C=C({26}CO)\C)O[C@@H]2[C@H]1[C@@]3(C)CC[C@@]45C[C@@]46CC{3}[C@H](O)C(C)(C)[C@@H]6CC[C@H]5[C@]3(C)C2 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H]1[C@@H](C/C=C(CO)\C)O[C@@H]2[C@H]1[C@@]3(C)CC[C@@]45C[C@@]46CC[C@H](O)C(C)(C)[C@@H]6CC[C@H]5[C@]3(C)C2$
(22R,24S)-22,25-epoxy-5α-cycloartane-3β,16β,24-triol SMILES C[C@@H]([C@H]1{16}[C@@H](O)C[C@]2(C)[C@]1(C)CC[C@]34[C@H]2CC[C@@H]5[C@@]3(CC{3}[C@H](O)C5(C)C)C4)[C@H]6C{26}[C@H](O)C(C)(C)O6 1 compound(s) in CSDB (view)
(22S,24Z)-cycloart-24-en-3β,22,26-triol thalictoside C aglycon SMILES O{3}[C@H]1CC[C@]23C[C@]24CC[C@]5(C)[C@@H]([C@@H]({22}C(O)C/C=C({26}CO)/C)C)CC[C@@]5(C)[C@@H]4CC[C@H]3C1(C)C 2 compound(s) in CSDB (view)
stilbene-2,3,4',5-tetrol SMILES O{5}C1=CC(/C=C/C2=CC={54}C(O)C=C2)={2}C(O){3}C(O)=C1 1 compound(s) in CSDB (view)
olean-11,13(18)-dien-3β,16α,23,28,30-pentol SMILES C[C@]1({30}CO)CC[C@@]2({28}CO)C(C1)=C3C=CC4[C@@]5(C)CC{3}[C@H](O)[C@@](C5CC[C@@]4(C)[C@]3(C)C{16}[C@H]2O)(C){23}CO 1 compound(s) in CSDB (view)
2α,3α-dihydroxy-19-oxo-olean-12-en-28-oic acid SMILES O{2}[C@@H]1C[C@@]2(C)[C@H](C(C)(C){3}[C@@H]1O)CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)CC[C@]5({28}C(O)=O)[C@H]4C(C(C)(C)CC5)=O 4 compound(s) in CSDB (view)
2α,3α,19α-trihydroxyolean-12-en-28-oic acid thomandertriol SMILES O{2}[C@@H]1C[C@@]2(C)[C@H](C(C)(C){3}[C@@H]1O)CC[C@]3(C)[C@@H]2CC=C4[C@@]3(C)CC[C@]5({28}C(O)=O)[C@H]4{19}[C@H](O)C(C)(C)CC5 2 compound(s) in CSDB (view)
3β,16α,22β-trihydroxy-23-oxooleana-12-ene-28-oic acid SMILES CC1(C)C{22}[C@@H](O)[C@]2({28}C(O)=O){16}[C@H](O)C[C@]3(C)C([C@@H]2C1)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)[C@]5(C=O)C 6 compound(s) in CSDB (view)
olean-12-en-27-al-28-oic acid SMILES CC1(CC[C@@]2(CC[C@@]3(C([C@@H]2C1)=CC[C@@H]4[C@]5(CC{3}[C@@H](C(C)([C@@H]5CC[C@]43C)C)O)C)C=O){28}C(O)=O)C 1 compound(s) in CSDB (view)
3β,6β,23-trihydroxy-2-oxo-olean-12-ene-28-oic acid 2-oxo-uncargenin A SMILES C[C@@]12CC[C@@]3({28}C(O)=O)CCC(C)(C)C[C@H]3C1=CC[C@H]4[C@@]2(C)C{3}[C@@H](O)[C@H]5[C@]4(C)CC({6}[C@H](O)[C@]5({23}CO)C)=O 2 compound(s) in CSDB (view)
13,28-epoxyolean-11-en-3β,16β,23,29-tetrol sandrosaponin II,VII aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@@]45[C@@]3(C)C{16}[C@H](O)[C@]6(CO5)[C@H]4C[C@](C)({29}CO)CC6)[C@@]1({23}CO)C 2 compound(s) in CSDB (view)
3β,16α,23,29-tetrahydroxy-11,13(18)-oleanedien-30-oic acid sandrosaponin VIII aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=CC4=C5C[C@@]({29}CO)({30}C(O)=O)CC[C@]5(C){16}[C@H](O)C[C@]43C)[C@@]1({23}CO)C 1 compound(s) in CSDB (view)
sandrosaponin V aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@@]45[C@@]3(C)C{16}[C@H](O)[C@]6(CO5)[C@H]4C[C@@](C)({29}CO)CC6)[C@@]1({23}CO)C 1 compound(s) in CSDB (view)
sandrosaponin VI aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=CC4=C5C[C@](C)({31}CO)CC[C@]5({29}CO){16}[C@H](O)C[C@]43C)[C@@]1({23}CO)C 1 compound(s) in CSDB (view)
sandrosaponin III aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@@]45[C@@]3(C)C{16}[C@H](O)[C@]6(CO5)[C@H]4C[C@@](C)({29}C(O)=O)CC6)[C@@]1({23}CO)C 1 compound(s) in CSDB (view)
sandrosaponin IV aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@@]45[C@@]3(C)C{16}[C@H](O)[C@]6(CO5)[C@H]4C[C@@]({30}CO)({29}C(O)=O)CC6)[C@@]1({23}CO)C 1 compound(s) in CSDB (view)
(3β,4α)-23-hydroxyolean-12-en-28-oic acid SMILES O{3}[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5({28}C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2C1({23}CO)C 1 compound(s) in CSDB (view)
ergosta-5,24-dien-3β-ol 24-methyldesmosterol SMILES C[C@H](CC/C(C)=C(C)\C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2CC=C4[C@]3(C)CC{3}[C@H](O)C4 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H](CC/C(C)=C(C)\C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2CC=C4[C@]3(C)CC[C@H](O)C4$
24,25-epoxyergosta-5-en-3β-ol SMILES C[C@H](CCC(C1(C)C)(O1)C)[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC=C5[C@]4(C)CC{3}[C@H](O)C5 1 compound(s) in CSDB (view)
ergostane 1 SMILES C[C@@H](C1CCC2[C@]1(C)CCC3C2CC=C4[C@]3(C)CC{3}C(O)C4)C5O{52}C(O){53}C(C)(O){54}C(O)(C)C5 1 compound(s) in CSDB (view)
ergostane dimer SMILES O=C1CCC[C@@]2([C@]34CCCC([C@]3(C)[C@@H](CC[C@@]5(C)[C@H]6CC[C@@H]5[C@@H](C7CC(C)(O)C(O)(C)C(O)O7)C)[C@H]6[C@H]8{3}[C@@H]4O)=O)[C@@]1(C)[C@@H](CC[C@@]9(C)[C@H]%10CC[C@@H]9[C@H](C)C%11OC(O)C(O)(C)C(C)(O)C%11)[C@H]%10[C@H]8{53}[C@@H]2O 2 compound(s) in CSDB (view)
(3β,5α,22R,23R,24S)-3,22,23-trihydroxyergostan-6-one teasterone SMILES C[C@H]({19}[C@@H](O){20}[C@H](O)[C@H](C(C)C)C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2CC([C@@H]4[C@]3(C)CC{3}[C@H](O)C4)=O 1 compound(s) in CSDB (view)
2,5-dihydroxy-3-methyl-2,3-dihydronaphthalene-1,4-dione droserone SMILES CC(C(C1=C2{5}C(O)=CC=C1)=O){3}C(O)C2=O
2,5,8-trihydroxy-3-methyl-2,3-dihydronaphthalene-1,4-dione 8-hydroxydroserone SMILES CC(C(C1=C2{5}C(O)=CC={8}C1O)=O){3}C(O)C2=O
7-methyl-1,4,5-naphthalenetriol SMILES CC1=CC2={1}C(O)C=C{4}C(O)=C2{5}C(O)=C1
5,8-dihydroxy-2-methylnaphthalene-1,4-dione 2-methylnaphthazarin = ramentone SMILES CC1=CC(C2={4}C(O)C=C{1}C(O)=C2C1=O)=O
diospyroside C aglycon SMILES CC1=CC2=C({55}C(O)=C1C3=C(C)C={5}C(O)C4={4}C(O)C=C{1}C(O)=C34)C(C=CC2=O)=O
diospyroside D aglycon SMILES CC1=CC2={1}C(O)C=C{4}C(O)=C2{5}C(O)=C1C3=C4C(C=CC(C4={55}C(O)C=C3C)=O)=O
aloesin aglycon SMILES CC(CC1=CC(C2=C(C)C={7}C(O){8}C=C2O1)=O)=O 3 compound(s) in CSDB (view)
(E)-5-(3,5-dihydroxystyryl)benzene-1,2,3-triol SMILES O{55}C1=CC(/C=C/C2=C{3}C(O)={4}C(O){5}C(O)=C2)=C{53}C(O)=C1 2 compound(s) in CSDB (view)
(-)-epipinoresinol SMILES COC1={54}C(C=CC([C@H]2[C@@H]3CO[C@@H]([C@@H]3CO2)C4=CC(OC)={4}C(C=C4)O)=C1)O 1 compound(s) in CSDB (view)
erythro-guaiacylglycerol SMILES O{7}[C@@H](C1=CC(OC)={4}C(O)C(OC)=C1){8}[C@H](O){9}CO 5 compound(s) in CSDB (view)
(4-hydroxyphenyl)-(2,3,5,6-tetrahydroxyphenyl)methanone SMILES O{54}C1=CC=C(C(C2={2}C(O){3}C(O)={4}C{5}C(O)={6}C2O)=O)C=C1 1 compound(s) in CSDB (view)
(4-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone iriflophenone SMILES O{54}C1=CC=C(C(C2={2}C(O)C={4}C(O)C={6}C2O)=O)C=C1 2 compound(s) in CSDB (view)
(2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-propan-1-one hesperetin dihydrochalcone SMILES COc1ccc(CCC(=O)c2{2}c(O)c{4}c(O)c{6}c2O)c{53}c1O 2 compound(s) in CSDB (view)
naringenin chalcone SMILES O=C(/C=C/C1=CC={54}C(O)C=C1)C2={2}C(O)C={4}C(O)C={6}C2O 2 compound(s) in CSDB (view)
goodyerin aglycon SMILES O{3}C1=C(C2=C{53}C(O)={54}C(O)C=C2)OC3=C(CC4=CC(OC)={104}C(O)C(OC)=C4){7}C(O)=C{5}C(O)=C3C1=O 1 compound(s) in CSDB (view)
2'-hydroxy-6-prenylgenistein = luteone SMILES C/C(C)=C\CC1={5}C(O)C2=C(OC=C(C3={52}C(O)C={54}C(O)C=C3)C2=O)C={7}C1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C(O)C2=C(OC=C(C3=C(O)C=C(O)C=C3)C2=O)C=C1O$
2'-hydroxy-3'-prenylgenistein = licoisoflavone A SMILES C/C(C)=C\CC1={54}C(O)C=CC(C2=COC3=C{7}C(O)=C{5}C(O)=C3C2=O)={52}C1O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC1=C(O)C=CC(C2=COC3=CC(O)=CC(O)=C3C2=O)=C1O$
2-hydroxynaringenin SMILES O=C1C{2}[C@](C2=CC={54}C(O)C=C2)(O)OC3=C{7}C(O)=C{5}C(O)=C13 1 compound(s) in CSDB (view)
(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan astraisoflavan SMILES O{52}C(C(OC)=C(OC)C=C1)=C1[C@H]2CC3=CC={7}C(O)C=C3OC2 2 compound(s) in CSDB (view)
3',4',6,7-tetrahydroxyisoflavone SMILES O{54}C1=CC=C(C2=COC3=C{7}C(O)={6}C(O)C=C3C2=O)C={53}C1O 1 compound(s) in CSDB (view)
2′,4′,5,5′,7-pentahydroxyflavone isoetin SMILES O=C(C1={5}C(O){6}C={7}C(O)C=C1O2)C=C2C3={52}C(O)C={54}C(O){55}C(O)=C3 1 compound(s) in CSDB (view)
dalcochinin = 12-dihydroamorphigenin SMILES COC1=C(OC)C=C2C([C@H]3[C@H](OC4=C(C=CC5=C4C[C@H](C({58}CO)=C)O5){12}[C@@H]3O)CO2)=C1
3,5,6,7,8,4'-hexahydroxyflavone SMILES O=c({3}c(O)c(c1cc{54}c(O)cc1)o2)c3c2{8}c(O){7}c(O){6}c(O){5}c3O 2 compound(s) in CSDB (view)
5,6,7,8,2',3',4'-heptahydroxyflavone SMILES O{54}C1={53}C(O){52}C(O)=C(C=C1)C(O2)={3}C(O)C(C3=C2{8}C(O)={7}C(O){6}C(O)={5}C3O)=O 1 compound(s) in CSDB (view)
1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione aloe-emodin SMILES O=C1c2c(C(c3{1}c(O)cc({11}CO)cc31)=O){8}c(O)ccc2 1 compound(s) in CSDB (view)
1,2,8-trihydroxy-6-methylanthraquinone nataloe-emodin SMILES CC1=CC2=C({8}C(=C1)O)C(=O)C3=C(C2=O)C=C{2}C(={1}C3O)O
aloesaponol I SMILES CC1=C(C(OC)=O){3}C(O)=CC2=CC3=C({9}C(O)=C12)C(C{6}C(O)C3)=O
aloesaponol II SMILES CC1=C{6}C(O)=CC2=CC3=C({9}C(O)=C12)C(C{3}C(O)C3)=O
aloesaponol III SMILES CC1=CC2=CC3=C(C(CC{4}C3O)=O){9}C(O)=C2{8}C(O)=C1
demethyl aloesaponol IV SMILES CC1=CC2=CC3=C({9}C(O)=C2{8}C(O)=C1)C({2}C(O)C{4}C3O)=O
elgonicardine aglycon SMILES O{8}C1=CC=CC({9}C(C2=CC=C(C(C3=CC({61}CO)=C{51}C(O)=C3C4=O)=O)C4={58}C2O)C5=C6{1}C(O)=CC({11}CO)=C5)=C1C6=O
7-hydroxyaloin aglycon SMILES O=C2c1{8}c(O){7}c(O)ccc1{10}Cc3cc({15}CO)c{1}c(O)c23
5-hydroxyaloin aglycon SMILES O=C2c1{8}c(O)cc{5}c(O)c1{10}Cc3cc({15}CO)c{1}c(O)c23
10-hydroxyaloin B aglycon SMILES O=C2c1{8}c(O)cccc1{10}C(O)c3cc({15}CO)c{1}c(O)c23
littoraloin aglycon SMILES O=C2c1{8}c(O)cccc1{10}[C@H](O)c3cc({15}CO)c{1}c(O)c23
(1S,3S)-1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione (1S,3S)-austrocortilutein SMILES C{3}[C@@]1(O)C{1}[C@H](O)C2=C(C(C3=C({8}C(O)=CC(OC)=C3)C2=O)=O)C1 1 compound(s) in CSDB (view)
(5S,7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione (1S,3S)-austrocortirubin SMILES C{3}[C@@]1(O)C{1}[C@H](O)C2=C(C(C3=C({8}C(O)=CC(OC)={5}C3O)C2=O)=O)C1 2 compound(s) in CSDB (view)
(1S,3R)-1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione (1S,3R)-austrocortilutein SMILES C{3}[C@]1(O)C{1}[C@H](O)C2=C(C(C3=C({8}C(O)=CC(OC)=C3)C2=O)=O)C1 2 compound(s) in CSDB (view)
1,3-dihydroxy-6-methylanthracene-9,10-dione SMILES CC1=CC2=C(C(C3=C(C={3}C(O)C={1}C3O)C2=O)=O)C=C1 1 compound(s) in CSDB (view)
austrocortinin SMILES CC1=CC2=C(C(C3=C({1}C(O)=C(OC)C={4}C3O)C2=O)=O)C=C1 1 compound(s) in CSDB (view)
5-hydroxyemodin SMILES CC1=CC2=C(C(C3=C({1}C(O)={2}C(O)C={4}C3O)C2=O)=O){5}C(O)=C1 1 compound(s) in CSDB (view)
(24S)-24-ethyl-5α-cholesta-7,25-dien-3β-ol SMILES CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC{3}[C@@H](C4)O)C)C)C(=C)C 1 compound(s) in CSDB (view)
3β,16α,26-trihydroxy-5α-cholestan-22-one abutiloside D,F aglycon SMILES O{3}[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C{16}[C@@H](O)[C@@H]4[C@@H](C(CCC({26}CO)C)=O)C)C1 2 compound(s) in CSDB (view)
3β,16α,26-trihydroxycholest-5-en-22-one abutiloside E,G aglycon SMILES O{3}[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C{16}[C@@H](O)[C@@H]4[C@@H](C(CCC({26}CO)C)=O)C 2 compound(s) in CSDB (view)
spirosta-5,25(27)-dien-1β,2α,3β-triol SMILES O{3}[C@H](C1){2}[C@H](O){1}[C@@H](O)[C@@]2(C)C1=CC[C@@H]3[C@@H]2CC[C@H]4[C@H]3C[C@H]5[C@@H]4[C@H](C)[C@@](OCC6=C)(CC6)O5 2 compound(s) in CSDB (view)
(25R)-spirost-5-en-1β,2α,3βtriol SMILES O{3}[C@H](C1){2}[C@H](O){1}[C@@H](O)[C@@]2(C)C1=CC[C@@H]3[C@@H]2CC[C@H]4[C@H]3C[C@H]5[C@@H]4[C@H](C)[C@]6(OC[C@@H](C)CC6)O5 1 compound(s) in CSDB (view)
(25R)-5α-spirostan-1β,2α,3β-triol SMILES O{3}[C@H]1{2}[C@H](O){1}[C@@H](O)[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@H]4[C@H]3C[C@H]5[C@@H]4[C@H](C)[C@]6(OC[C@@H](C)CC6)O5)C1 1 compound(s) in CSDB (view)
5α-spirost-25(27)-en-1β,2α,3β-triol SMILES O{3}[C@H]1{2}[C@H](O){1}[C@@H](O)[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@H]4[C@H]3C[C@H]5[C@@H]4[C@H](C)[C@@](OCC6=C)(CC6)O5)C1 1 compound(s) in CSDB (view)
actein aglycon SMILES C[C@@H]1C[C@]2(O[C@@H]3[C@H]1[C@@]4(C)[C@H](OC(C)=O)C[C@@]56C[C@@]57CC{3}[C@H](O)C(C)(C)[C@@H]7CC[C@H]6[C@]4(C)C3)[C@H]8[C@]({26}[C@@H](O)O2)(C)O8 1 compound(s) in CSDB (view)
26-deoxyactein aglycon SMILES C[C@@H]1C[C@]2(O[C@@H]3[C@H]1[C@@]4(C)[C@H](OC(C)=O)C[C@@]56C[C@@]57CC{3}[C@H](O)C(C)(C)[C@@H]7CC[C@H]6[C@]4(C)C3)[C@H]8[C@](CO2)(C)O8 1 compound(s) in CSDB (view)
25S-spirost-5-en-2α,3β-diol lilagenin SMILES C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(C{2}[C@H]({3}[C@@H](C6)O)O)C)C)C)OC1 1 compound(s) in CSDB (view)
25S-spirostane-3β,5β,6α-triol SMILES C[C@H]1CC[C@]2(OC1)[C@@H](C)[C@H]3[C@H](C[C@@H]4[C@]3(C)CC[C@H]5[C@H]4C{6}[C@@H](O){5}[C@@]6(O)[C@]5(C)CC{3}[C@H](O)C6)O2 1 compound(s) in CSDB (view)
25S-5β-spirostane-3β,6α-diol 25epi-ruizgenin SMILES C[C@H]1CC[C@]2(OC1)[C@@H](C)[C@H]3[C@H](C[C@@H]4[C@]3(C)CC[C@H]5[C@H]4C{6}[C@@H](O)[C@@H]6[C@]5(C)CC{3}[C@H](O)C6)O2 1 compound(s) in CSDB (view)
(25R)-3β,17α-dihydroxy-5α-spirostan-12-one 17-hydroxyhecogenin SMILES C[C@H]1{17}[C@@]2(O)[C@@H](O[C@]13CC[C@H](CO3)C)C[C@H]4[C@@H]5CC[C@H]6C{3}[C@H](CC[C@@]6([C@H]5CC([C@@]42C)=O)C)O 1 compound(s) in CSDB (view)
(25R)-3β,6α-dihydroxy-5α-spirostan-12-one SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C{6}[C@H](O)[C@H]5C{3}[C@@H](O)CC[C@]5(C)[C@H]4CC([C@@]32C)=O)O[C@]16CC[C@@H](C)CO6 1 compound(s) in CSDB (view)
(24S,25R)-spirost-5-en-1β,3β,24-triol surculoside aglycon SMILES C[C@@H]1CO[C@]2([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){1}[C@H](O)C{3}[C@H](O)C6)O2)C{24}[C@@H]1O 3 compound(s) in CSDB (view)
(22R,25S)-spirost-5-en-3β,15α-diol luciamin aglycon SMILES C[C@H]1CC[C@]2(OC1)[C@@H](C)[C@H]3[C@H]({15}[C@H](O)[C@@H]4[C@]3(C)CC[C@H]5[C@H]4CC=C6[C@]5(C)CC{3}[C@H](O)C6)O2 1 compound(s) in CSDB (view)
25R-furost-5-en-3β,17α,22α,26-tetrol SMILES C[C@@H]1{22}[C@@](CC[C@H]({26}CO)C)(O[C@H]2C[C@H]3[C@@H]4CC=C5C{3}[C@H](CC[C@@]5([C@H]4CC[C@@]3({17}[C@]21O)C)C)O)O 1 compound(s) in CSDB (view)
(25S)-furost-5-en-1β,3β,22,26-tetrol SMILES O{22}[C@]1([C@@H](C)[C@H]2[C@H](C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CC=C5[C@]4(C){1}[C@H](O)C{3}[C@H](O)C5)O1)CC[C@H](C){26}CO 3 compound(s) in CSDB (view)
25S-furost-4-en-3β,22,26-triol SMILES C[C@H]1[C@H]2[C@@H](O{22}C1(O)CC[C@@H]({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CCC5[C@]4(C)CC{3}[C@H](O)C=5 1 compound(s) in CSDB (view)
25R-furost-4-en-3β,22,26-triol SMILES C[C@H]1[C@H]2[C@@H](O{22}C1(O)CC[C@H]({26}[CH2]O)C)C[C@@H]3[C@]2(C)CC[C@H]4[C@H]3CCC5[C@]4(C)CC{3}[C@H](O)C=5 1 compound(s) in CSDB (view)
(3R)-3-hydroxy-5-phenylpentanoic acid SMILES O={1}C(O)C{3}[C@H](O)CCC1=CC=CC=C1 4 compound(s) in CSDB (view)
11-hydroxystearic acid SMILES CCCCCCC{11}C(O)CCCCCCCCC{1}C(O)=O 1 compound(s) in CSDB (view)
3-hydroxycoumarin SMILES C1=CC=C2C(=C1)C={3}C(C(=O)O2)O 1 compound(s) in CSDB (view)
4-hydroxycoumarin SMILES C1=CC=C2C(=C1){4}C(=CC(=O)O2)O 1 compound(s) in CSDB (view)
7-hydroxycoumarin = umbelliferone SMILES C1=C{7}C(=CC2=C1C=CC(=O)O2)O 8 compound(s) in CSDB (view)
6,7,8-trihydroxycoumarin SMILES O{6}C1={7}C(O){8}C(O)=C2C(C=CC(O2)=O)=C1 3 compound(s) in CSDB (view)
dammar-24-en-3β,12β,19,20S-tetrol SMILES C/C(C)=C\CC{20}[C@](O)([C@H]1CC[C@@]2([C@@H]1{12}[C@H](O)C[C@@H]3[C@]4(CC{3}[C@@H](C(C)(C4CC[C@]32C)C)O){19}CO)C)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC[C@](O)([C@H]1CC[C@@]2([C@@H]1[C@H](O)C[C@@H]3[C@]4(CC[C@@H](C(C)(C4CC[C@]32C)C)O)CO)C)C$
16,22-epoxy-24-methylidene-dammarane-3β,15α,16α,20β-tetrol joazeiroside A,B aglycon SMILES CC(C(C[C@@H]1{20}[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC{3}[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C){15}[C@@H](O){16}[C@]2(O)O1)=C)C 2 compound(s) in CSDB (view)
3β,7β,18,20,26-pentahydroxy-(20S)-dammar-24-ene SMILES CC1(C){3}[C@@H](O)CC[C@@]2(C)C1C{7}[C@H](O)[C@]3({20}CO)C2CCC4({18}[C@@](C)(CC/C=C({26}CO)\C)O)[C@]3(CCC4)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1(C)[C@@H](O)CC[C@@]2(C)C1C[C@H](O)[C@]3(CO)C2CCC4([C@@](C)(CC/C=C(CO)\C)O)[C@]3(CCC4)C$
20(S)-19α,24-dihydroxyursolic acid brevicuspisaponin 1 SMILES [C@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)[C@@]5({24}CO)C 1 compound(s) in CSDB (view)
20(S)-19α,23,24-trihydroxyursolic acid brevicuspisaponin 2 SMILES C[C@H]1CC[C@]2({28}C(O)=O)CC[C@]3(C)C([C@@H]2{19}[C@@]1(O)C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC{3}[C@H](O)C5({23}CO){24}CO 1 compound(s) in CSDB (view)
2α,3α,19α,23-tetrahydroxyurs-12-ene-24,28-dioic acid SMILES C[C@@H]5CC[C@]4({28}C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2[C@@]1(C)C{2}[C@@H](O){3}[C@@H](O)[C@@]({24}C(=O)O)({23}C(=O)O)C1CC[C@]23C)[C@@H]4{19}[C@]5(C)O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H]5CC[C@]4(C(=O)O)CC[C@]3(C)/C(=C\C[C@@H]2[C@@]1(C)C[C@@H](O)[C@@H](O)[C@@](C(=O)O)(C(=O)O)C1CC[C@]23C)[C@@H]4[C@]5(C)O$
3-(hydroxymethyl)-2-pentylphenol SMILES O{4}C1=CC=CC({12}CO)=C1CCCCC 1 compound(s) in CSDB (view)
(1S,4R)-4-hydroxy-1,2,2-trimethyl-1-(p-tolyl)cyclopentan-3-one dunnianoside B aglycon SMILES O=C1C(C)(C)[C@@](C2=CC=C(C)C=C2)(C)C{4}[C@H]1O 1 compound(s) in CSDB (view)
16-hydroxyisopimar-7-en-19,6α-olide hypoxyloside A aglycon SMILES C[C@]1(C(O2)=O)CCC[C@]3(C)[C@@]4([H])CC[C@](C)(C{16}CO)CC4=C[C@]2([H])[C@@]13[H] 1 compound(s) in CSDB (view)
3-methyl-16-hydroxy-18-norisopimara-3(4),7-dien-19-oic acid hypoxyloside B aglycon SMILES C[C@@]1(C{16}CO)CC2=CC[C@@]3([H])C({19}C(O)=O)=C(C)CC[C@]3(C)[C@@]2([H])CC1 1 compound(s) in CSDB (view)
16,18-dihydroxyisopimar-7-en-19-oic acid hypoxyloside C aglycon SMILES C[C@]1(CC2=CC[C@]3([C@@]({19}C(O)=O)(CCC[C@@]3([C@]2(CC1)[H])C){18}CO)[H])C{16}CO 1 compound(s) in CSDB (view)
3S,16-dihydroxyisopimar-7-en-19-oic acid hypoxyloside D aglycon SMILES C[C@@]1({3}[C@H](CC[C@@]2([C@]3(CC[C@](C{16}CO)(CC3=CC[C@@]12[H])C)[H])C)O){19}C(O)=O 1 compound(s) in CSDB (view)
hypoxyloside E aglycon SMILES O=C1[C@H](C)CC[C@]2(C)[C@@]3([H])CC[C@](C)({15}[C@H](O){16}CO)CC3=CC[C@@]12[H] 1 compound(s) in CSDB (view)
15R,16-dihydroxyisopimar-7-en-19-oic acid hypoxyloside F aglycon SMILES C[C@]1({19}C(O)=O)CCC[C@@]2(C)[C@H]1CC=C3[C@@H]2CC[C@](C)({15}[C@@H](O){16}CO)C3 1 compound(s) in CSDB (view)
15S,16-dihydroxyisopimar-7-en-19-oic acid hypoxyloside G aglycon SMILES C[C@]1({19}C(O)=O)CCC[C@@]2(C)[C@H]1CC=C3[C@@H]2CC[C@](C)({15}[C@H](O){16}CO)C3 2 compound(s) in CSDB (view)
YM-202204 aglycon SMILES CC(C/C=C/C(C)=C/C(CC(C)CC)C){14}C(C(/C=C(C)/C=C/{8}C(O)C(C)c1oc(=O){3}c{4}c(O)c1)C)O 1 compound(s) in CSDB (view)
S39163/F–I aglycon SMILES CC(C/C=C/C(C)=C/C(CC(C)CC)C){14}C(C(/C=C(C)/C=C/{8}C(O)C(C)(C)c1oc(=O){3}c{4}c(O)c1)C)O 1 compound(s) in CSDB (view)
dactylfungin A aglycon SMILES CC(CC({31}CO)/C=C(/C=C/{8}C(C(c(c{4}c(O){3}c1)oc1=O)(C)C)O)C)CC(C)C/C(C)=C/C=C/C(C)=C/C(CC)C 1 compound(s) in CSDB (view)
dactylfungin B aglycon SMILES CC(CC({31}CO)/C=C(/C=C/{8}C(C(c(c1)o{2}c(O){3}cc1=O)(C)C)O)C)CC(C)C/C(C)=C/C=C/C(C)=C/C(CC)C 1 compound(s) in CSDB (view)
akanthopyrone A aglycon SMILES O=c1c({7}CO)c(OC)cc({8}[C@@H](O)CCCCCCCCC)o1 2 compound(s) in CSDB (view)
akanthopyrone B aglycon SMILES O=c1c({7}CO)c(OC)cc({8}[C@@H](O)CCCCCCCC{17}CO)o1 2 compound(s) in CSDB (view)
akanthopyrone C aglycon SMILES O=c1c(C)c(OC)cc({8}[C@@H](O)CCCCCCCC{17}CO)o1 2 compound(s) in CSDB (view)
akanthopyrone D aglycon SMILES CCCCCCC{8}[C@H](O)c(o1)cc(OC)c({7}CO)c1=O 2 compound(s) in CSDB (view)
3-(3,3-dichloro-2-hydroxypropyl)-6-methoxy-8-hydroxy-1H-2-benzopyran-1-one SMILES O{8}C1=C2C(C=C(C{10}C(O)C(Cl)Cl)OC2=O)=CC(OC)=C1 1 compound(s) in CSDB (view)
R-(-)-mellein SMILES C[C@@H]1CC2=CC=C{8}C(O)=C2C(O1)=O 2 compound(s) in CSDB (view)
nigrosphaerin A aglycon SMILES O{6}C1=CC({4}C(O)=C2C3=C{53}C(O)={54}C(O)C=C3)=C(C(O2)=O){8}C(O)=C1 1 compound(s) in CSDB (view)
virescenoside R1 aglycon SMILES C[C@]1(C=C)CC[C@H]2C(C=C[C@@H]3[C@]2(C)C{2}[C@@H](O){3}[C@H](O)[C@@]3({19}CO)C)=C1 1 compound(s) in CSDB (view)
virescenoside R3 aglycon SMILES C[C@]1(C=C)CC[C@@]2(C)C(C1)=CC[C@@H]3[C@]2(C)C{2}[C@@H](O){3}[C@H](O)[C@@]3({19}CO)C 1 compound(s) in CSDB (view)
virescenoside Z aglycon SMILES C[C@]1(C=C)CC[C@H]2C(C1)=CC([C@@H]3[C@]2(C)C{2}[C@@H](O){3}[C@H](O)[C@@]3({19}CO)C)=O
3-α-hydroxyfusicoccin J aglycon SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC[C@](O)({16}CO)C1=C\[C@@]2(C){12}[C@@H](O)C3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@](O)(CO)C1=C\[C@@]2(C)[C@@H](O)C3$
fusicoccin R aglycon SMILES C[C@@H]({17}CO)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC[C@](O)({16}CO)C1=C\[C@@]2(C){12}[C@@H](O)C3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@H](CO)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@](O)(CO)C1=C\[C@@]2(C)[C@@H](O)C3$
(2S,5S,10R)-2-((S)-1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one SMILES O=C1C[C@@H](C)[C@@]2(CC[C@H]({11}[C@](C)(O){12}CO)C2)C(C)=C1 1 compound(s) in CSDB (view)
(2S,5S,10R)-2-((R)-1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one SMILES O=C1C[C@@H](C)[C@@]2(CC[C@H]({11}[C@@](C)(O){12}CO)C2)C(C)=C1 1 compound(s) in CSDB (view)
versicolorin B SMILES C1CO[C@H]2[C@@H]1C3=C(O2)C=C4C(={4}C3O)C(=O)C5=C(C4=O)C={6}C(C={8}C5O)O 1 compound(s) in CSDB (view)
1-hydroxyversicolorin B SMILES O{4}C1=C(C(C2=C(C={6}C(O)C={8}C2O)C3=O)=O)C3=CC(O4)=C1[C@H]5[C@@H]4OC{1}[C@H]5O 1 compound(s) in CSDB (view)
nidurufin SMILES C[C@]12CC{1}[C@@H]([C@H](O1)C3=C(O2)C=C4C(={4}C3O)C(=O)C5=C(C4=O)C={6}C(C={8}C5O)O)O 1 compound(s) in CSDB (view)
(S)-torosachrysone SMILES COc1c{8}c(O)c2{9}c(O)c3c(cc2c1)C{3}[C@@](C)(O)CC3=O 2 compound(s) in CSDB (view)
(1S,3S)-1,3,5,8-tetrahydroxy-6-methoxy-3-methyl-1,2,3,4,4a,9a-hexahydroanthracene-9,10-dione SMILES O{1}[C@@H]1C(C(C2=C({5}C(O)=C(OC)C={8}C2O)C3=O)=O)C3C{3}[C@](C)(O)C1 1 compound(s) in CSDB (view)
(1S,3S)-1,3,8-trihydroxy-6-methoxy-3-methyl-1,2,3,4,4a,9a-hexahydroanthracene-9,10-dione SMILES O{1}[C@@H]1C(C(C2=C(C=C(OC)C={8}C2O)C3=O)=O)C3C{3}[C@](C)(O)C1 1 compound(s) in CSDB (view)
1,4-dihydroxy-2-methoxyanthracene-9,10-dione SMILES O=C1C2=C({1}C(O)=C(OC)C={4}C2O)C(C3=C1C=CC=C3)=O 1 compound(s) in CSDB (view)
1,4,5-trihydroxy-2-methoxyanthracene-9,10-dione SMILES O=C1C2=C({1}C(O)=C(OC)C={4}C2O)C(C3=C1{5}C(O)=CC=C3)=O 1 compound(s) in CSDB (view)
1-hydroxy-3-methoxyanthracene-9,10-dione SMILES O=C1C2=C(C=C(OC)C={1}C2O)C(C3=C1C=CC=C3)=O 1 compound(s) in CSDB (view)
ω-hydroxyxanthorin SMILES OC1=CC({11}CO)=CC2=C1C(C3=C({6}C(O)=C(OC)C={8}C3O)C2=O)=O 1 compound(s) in CSDB (view)
xanthorin SMILES CC1=CC2=C(C(C3=C({6}C(O)=C(OC)C={8}C3O)C2=O)=O)C(O)=C1 1 compound(s) in CSDB (view)
dermochrysone SMILES O=C1C2={9}C(O)C3=C(C=C(OC)C={8}C3O)C=C2C{3}[C@@](C1)(O)CC(C)=O 1 compound(s) in CSDB (view)
6-demethylsterigmatocystin SMILES O=C1C2=C(C([C@H](C=CO3)[C@H]3O4)=C4C={11}C2O)OC5=C1{15}C(O)=CC=C5 1 compound(s) in CSDB (view)
(2E,4E,7S,12E)-7-hydroxy-8,14-dimethylhexadeca-2,4,12-trienoic acid SMILES O{1}C(/C=C/C=C/C{7}[C@H](O)C(CCC/C=C/C(CC)C)C)=O
(S,2E,4E,8E,10E)-7-hydroxy-8-methyltetradeca-2,4,8,10-tetraenoic acid SMILES O{1}C(/C=C/C=C/C{7}[C@H](O)/C(C)=C/C=C/CCC)=O
2-nonyl-4,6-dihydroxybenzoic acid SMILES O{6}C1={5}C{4}C(O)=CC(CCCCCCCCC)=C1{7}C(O)=O 1 compound(s) in CSDB (view)
2-octyl-4,6-dihydroxybenzoic acid SMILES O{6}C1={5}C{4}C(O)=CC(CCCCCCCC)=C1{7}C(O)=O 2 compound(s) in CSDB (view)
5-octylresorcinol SMILES O{3}C1=C{1}C(O)=CC(CCCCCCCC)=C1
F-16438 aglycon SMILES C{23}[C@H](CCCCCCCCCCCCCCCC(=O)CC1=C({1}C(O)=O){3}C(O)=CC=C1)O
fulicinerine SMILES CC[C@H]({111}[C@@H](O)[C@H]1[C@H](C[C@@H](/C=C/C=C(C2=C{1}C(O)=C3C(OC4=C3{9}C(O)=C(CC[C@H]({54}CO)C)C=C4)=C2)\C)C)O1)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC[C@H]([C@@H](O)[C@H]1[C@H](C[C@@H](/C=C/C=C(C2=CC(O)=C3C(OC4=C3C(O)=C(CC[C@H](CO)C)C=C4)=C2)\C)C)O1)C$
ophioglonin SMILES C1C2=C(C=C{3}C(={4}C2O)O)C3=C(O1)C(=O)C4={8}C(C={10}C(C=C4O3)O)O 1 compound(s) in CSDB (view)
3,6-diphenylbenzene-1,2,4-triol SMILES O{2}C1=C(C2=CC=CC=C2){4}C(O)=CC(C3=CC=CC=C3)={1}C1O 1 compound(s) in CSDB (view)
(2Z,3Z,5E,7E,9E,11E,13E)-14-(4-hydroxy-2-oxo-2H-pyran-6-yl)-2-(4,6-dimethyloctylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid SMILES CCC(C)CC(C)CC/C=C({29}C(O)=O)/C=C(\C=C\C=C\C=C\C=C\C=C\C(O1)=C{4}C(O)={3}CC1=O)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCC(C)CC(C)CC/C=C(C(O)=O)/C=C(\C=C\C=C\C=C\C=C\C=C\C(O1)=CC(O)=CC1=O)C$
R-(-)-5-hydroxymellein SMILES C[C@@H]1CC2={5}C(O)C=C{8}C(O)=C2C(O1)=O 3 compound(s) in CSDB (view)
3-methoxy-8-methylnaphthalene-1,2-diol SMILES CC1=CC=CC2=C1{1}C(O)={2}C(O)C(OC)=C2 2 compound(s) in CSDB (view)
epifusicoccin H aglycon SMILES CC(C)/C3=C/2{9}[C@@H](O){8}[C@H](O)[C@H](C)[C@@H]/1CC[C@@H]({16}CO)C1=C\[C@@]2(C)CC3 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC(C)/C3=C/2[C@@H](O)[C@H](O)[C@H](C)[C@@H]/1CC[C@@H](CO)C1=C\[C@@]2(C)CC3$
fusicoccin S aglycon SMILES CC(C1=C2{8}[C@H]({9}[C@@H]([C@@H]([C@@H]3CC{3}[C@@](/C3=C/[C@]2({12}[C@H](C1)O)C)(O){19}CO)C)O)O)C 1 compound(s) in CSDB (view)
5-hydroxy-9,10-dioxo-9,10-dihydroanthracene-1,3-dicarboxylic acid SMILES O=C1C2=C(C(C3=C1C(C(O)=O)=CC(C(O)=O)=C3)=O){5}C(O)=CC=C2 1 compound(s) in CSDB (view)
3-hydroxy-1,4-dimethoxy-9H-xanthen-9-one SMILES O=C1C(C=CC=C2)=C2OC3=C1C(OC)=C{3}C(O)=C3OC 1 compound(s) in CSDB (view)
(Z)-4,6-dihydroxy-7-methoxy-2-(4-methoxybenzylidene)benzofuran-3(2H)-one SMILES COC1=CC=C(C=C1)/C=C(O2)/C(C3=C2C(OC)={6}C(O)C={4}C3O)=O 1 compound(s) in CSDB (view)
(2E,4E,12E)-7-hydroxy-8,14-dimethylhexadeca-2,4,12-trienoic acid SMILES CCC(C)/C=C/CCCC(C){7}C(O)C/C=C/C=C/{1}C(=O)O 9 compound(s) in CSDB (view)
(2E,4E,8E,10E)-7-hydroxy-8-methyltetradeca-2,4,8,10-tetraenoic acid SMILES CCC/C=C/C=C(C)/{7}C(O)C/C=C/C=C/{1}C(=O)O 1 compound(s) in CSDB (view)
F-16438 A aglycon SMILES C{23}[C@H](CCCCCCCCCCCCCC(=O)CC1=C({1}C(O)=O){3}C(O)=CC=C1)O 4 compound(s) in CSDB (view)
chartarlactam D aglycon SMILES O{5}C1=C(CC2([C@](CC{18}[C@@H](O)C3(C)C)(C)[C@H]3CC[C@H]2C)O4)C4=C(CNC5=O)C5=C1 1 compound(s) in CSDB (view)
orbiocrellin A aglycon SMILES O{54}C1=CC=C(C2=C{1}N(O)C(C(C3C(C)CCC(C)O3)={4}C2O)=O)C=C1 1 compound(s) in CSDB (view)
2,4-dihydroxy-6-pentylbenzoic acid SMILES O={7}C(O)C1={2}C(O)C={4}C(O)C=C1CCCCC 1 compound(s) in CSDB (view)
CID 15127108 SMILES O{3}[C@H](C1=C)C[C@@H]2[C@H]1[C@@H](OC(C3=C)=O)[C@H]3CC{6}[C@]2(O)C
dihydrosarcostin SMILES C{20}[C@H](O){17}[C@]1(O)CC{14}[C@@]2(O)[C@]1(C){12}[C@H](O)C[C@H]3{8}[C@@]2(O)CCC4[C@]3(C)CC{3}[C@H](O)C4 2 compound(s) in CSDB (view)
1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid pityriacitrin D aglycon SMILES O=C(C1=CC2=C(C(C(C3=CNC4=C3C=CC=C4)=O)=N1)NC5=C2C=CC=C5){3}O 1 compound(s) in CSDB (view)
3-(methylthio)propanoic acid SMILES O={1}C(O)C{3}CSC 1 compound(s) in CSDB (view)
8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3Z,5E,9E,11Z,17E,19E-hexaen-2-one macrolactin A SMILES CC1CCC/C=C/C=C/C(CC(C/C=C\C=C\C(C/C=C/C=C\C(=O)O1){7}O{13})O){15}O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES CC1CCC/C=C/C=C/C(CC(C/C=C\C=C\C(C/C=C/C=C\C(=O)O1)O)O)O$
8-[[3-hydroxy-16-[(2-hydroxy-4-methylpentanoyl)amino]-4,9-dimethylhexadeca-4Z,6Z,8E,10E,12Z-pentaenoyl]amino]-2-methylnona-3E,5E,7Z-trienoic acid 12',13'-trans-14',15'-dihydrobacillaene B aglycon SMILES C/C(NC(C{12}C(O)/C(C)=C\C=C/C=C(C)/C=C/C=C\CCCNC({28}C(O)CC(C)C)=O)=O)=C/C=C/C=C/C(C){1}C(O)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(NC(CC(O)/C(C)=C\C=C/C=C(C)/C=C/C=C\CCCNC(C(O)CC(C)C)=O)=O)=C/C=C/C=C/C(C)C(O)=O$
3R,4aS,8,12bS-tetrahydroxy-3-methyl-5-(methylthio)-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione urdamycinone E aglycon SMILES O=C1C2=C(C=C(SC)[C@@](C[C@](O)(C)C3)(O){12}[C@]2(O)C3=O)C(C4=C(O){9}C=CC=C41)=O 7 compound(s) in CSDB (view)
4-(1,5-dihydroxy-9,10-dioxoanthracen-2-yl)-3R-hydroxy-3-methylbutanoic acid fridamycin E SMILES O=C1C2=C(C=CC(C[C@@](C)(O)CC(O)=O)=C2O)C(C3=C1C=C{6}C=C3O)=O 3 compound(s) in CSDB (view)
3R,4aR,8,12bS-tetrahydroxy-3-methyl-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione urdamycin A aglycon SMILES O=C1C2=C(C(C3=C({9}C=CC=C31)O)=O)C=C[C@@](O)({12}[C@@]24O)C[C@](C)(CC4=O)O 2 compound(s) in CSDB (view)
3R,4aS,6R,8,12bS-pentahydroxy-3-methyl-3,4,4a,5,6,12b-hexahydrotetraphene-1,7,12(2H)-trione urdamycinone A aglycon SMILES O=C1C[C@](C)(O)C[C@]2(O){12}[C@@]1(O)C(C(C3=CC={9}CC(O)=C3C4=O)=O)=C4[C@H](O)C2 1 compound(s) in CSDB (view)
3R,8-dihydroxy-3-methyl-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione urdamycinone B aglycon SMILES O=C1C2=C(C=CC(C[C@](C3)(O)C)C2C3=O)C(C4=C(O){9}C=CC=C41)=O 2 compound(s) in CSDB (view)
3R,5,8-trihydroxy-3-methyl-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione 5-hydroxyurdamycin B aglycon SMILES O=C1C2=C(C=C(C(C[C@](C)(C3)O)=C2C3=O)O)C(C4=C(O){9}C=CC=C41)=O 1 compound(s) in CSDB (view)
7,8-dihydroxy-5-(hydroxymethyl)-2-phenylchroman-4-one SMILES O=C1CC(C2=CC=CC=C2)OC3=C1{5}C(CO)=C{7}C(O)={8}C3O 2 compound(s) in CSDB (view)
krasilnikolide A aglycon SMILES C/C({3}[C@H](O)[C@@H](C)C(O1)=O)=C\C=C\[C@H](C)C/C(C)=C/[C@@H](C){13}[C@H](O)C{15}[C@@H](O)/C(C)=C/[C@@H](C)[C@H]1/C(C)=C/C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C([C@H](O)[C@@H](C)C(O1)=O)=C\C=C\[C@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](O)/C(C)=C/[C@@H](C)[C@H]1/C(C)=C/C$
9-fluorenylmethoxycarbonyl (Fmoc) SMILES O={1}C(O)OCC1C2=C(C3=C1C=CC=C3)C=CC=C2 2 compound(s) in CSDB (view)
1,27-septacosandioic acid SMILES O={1}C(O)CCCCCCCCCCCCCCCCCCCCCCCCC{27}C(O)=O 2 compound(s) in CSDB (view)
tetraether lipid (C95H189O16P) SMILES O{51}CC1OCC[C@H](C)CCCC2CCC([C@H](C)CCC[C@H](C)CC[C@@H](C)CCC[C@@H](C)CCC[C@H](CCC[C@@H](C)CCOCC({1}CO)OCC[C@H](C)CCCC3CCC([C@@H](CCC[C@@H](CC[C@H](CCC[C@H](CCC[C@H](CCC[C@H](CCOC1)C)C)C)C)C)C)C3)C)C2 1 compound(s) in CSDB (view)
3-hydroxyheneicosanoic acid SMILES CCCCCCCCCCCCCCCCCCC(O)C{1}C(O)=O 1 compound(s) in CSDB (view)
octacosane-1,3R,27R-triol SMILES C[C@H](O)CCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C{1}CO 1 compound(s) in CSDB (view)
3-formyl-rifamycin SV SMILES C[C@@]([C@@](O)([H])[C@@]({23}[C@](O)([H])[C@@]([C@@](OC(C)=O)([H])[C@]([C@](OC)([H])/C=C/O[C@@]1(C(C2=C(O1)C(C)=C(O)C3=C(O)C4=C(C=O)C(O)=C32)=O)C)([H])C)([H])C)([H])C)([H])/C=C/C=C(\C(O)=N\4)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@@]([C@@](O)([H])[C@@]([C@](O)([H])[C@@]([C@@](OC(C)=O)([H])[C@]([C@](OC)([H])/C=C/O[C@@]1(C(C2=C(O1)C(C)=C(O)C3=C(O)C4=C(C=O)C(O)=C32)=O)C)([H])C)([H])C)([H])C)([H])/C=C/C=C(\C(O)=N\4)C$
3R,7R,11R,15R,15'R,11'R,7'R,3'R-octamethyl-dotriacontan-1,32-diol diphytanol SMILES O{1}CCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)C{32}CO 16 compound(s) in CSDB (view)
3-hydroxyphytanol SMILES CC(CCCC(CCCC(CCCC(C)C)C)C)(O)C{1}CO 1 compound(s) in CSDB (view)
pseudoaglycon 1 (NAc-pAG-Ub,Lb) SMILES O=C(C(C)C(O)/C=C/CC(O)C1CCC(C)C(CC2(O)C(O)C(O)CC3O2)O1)OC(CC(CCCCC(C)C(O)C(C)CCC(O)C(C){47}C(C)O)O)C(/C=C/C=C/C(O)C(C)C(O)CC(O)C{21}C(O)C3C)C 1 compound(s) in CSDB (view)
(9S)-9-dihydroerythronolide A SMILES CC[C@@H](O1)[C@](O)(C)[C@H](O)[C@@H](C){9}[C@@H](O)[C@H](C)C[C@](O)(C){5}[C@H](O)[C@@H](C){3}[C@H](O)[C@@H](C)C1=O 1 compound(s) in CSDB (view)
3-hydroxy-13E-eicosenoic acid SMILES CCCCCC/C=C/CCCCCCCCC{3}C(O)C{1}C(O)=O 3 compound(s) in CSDB (view)
bleomycin aglycon SMILES CC1=C(C(N[C@H](C(N[C@@H]([C@@H](O)[C@@H](C(N[C@H](C(NCCC2=NC(C3=NC(C(NCCC[S+](C)C)=O)=CS3)=CS2)=O)[C@H](O)C)=O)C)C)=O){3}C(O)C4=CN=CN4)=O)N=C([C@@H](NC[C@H](N)C(N)=O)CC(N)=O)N=C1N 1 compound(s) in CSDB (view)
34-carboxyl-2β-methyl-bacteriohopane-32,33-diol SMILES CC(CCC(O)C(O){34}C(O)=O)C1C2CC[C@@]3(C)[C@]4(C)CCC5C(C)(C)C[C@@H](C)C[C@]5(C)C4CCC3[C@@]2(C)CC1 1 compound(s) in CSDB (view)
15-methylhexadecasphinganine SMILES CC(C)CCCCCCCCCCC[C@@H](O){2}[C@@H](N){1}CO 2 compound(s) in CSDB (view)
amycolamicin aglycon 2 SMILES C=C2CC{6}[C@@H](O)[C@@H]3/C=C\[C@H](C)[C@H](C(=O)/C1=C(O)/{1}C(C(C)C)NC1=O)[C@@H]23 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C=C2CC[C@@H](O)[C@@H]3/C=C\[C@H](C)[C@H](C(=O)/C1=C(O)/C(C(C)C)NC1=O)[C@@H]23$
4-(2,4,22-trihydroxy-21-methyl)tetracosylphenol SMILES CC{28}C(O)C(C)CCCCCCCCCCCCCCCC{10}C(O)C{8}C(O)Cc1cc{1}c(O)cc1 1 compound(s) in CSDB (view)
2,4,6-trimethylcerotic acid SMILES CCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C){1}C(=O)O 1 compound(s) in CSDB (view)
rubiginone A2 SMILES C[C@H]4CC(=O)c2c(ccc3c(=O)c1{8}c(O)cccc1c(=O)c23)[C@@H]4O 1 compound(s) in CSDB (view)
angucyclinone SMILES C[C@H]4CC(=O)/C2=C(CC[C@]3(O){7}[C@@H](O)c1{8}c(O)cccc1[C@H](O)[C@@H]23)\C4 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@H]4CC(=O)/C2=C(CC[C@]3(O)[C@@H](O)c1c(O)cccc1[C@H](O)[C@@H]23)\C4$
hydroxyphthioceranic acid SMILES CCCCCCCCCCCCCCCCCC([C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C){1}C(=O)O)O 2 compound(s) in CSDB (view)
balhimycin aglycon SMILES CN[C@H](CC(C)C)C(=O)N[C@H]6C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]4C(=O)N[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c1cc(O)cc(O)c1c3cc2ccc3O){2}[C@H:1](O)c8ccc(Oc7cc4cc(Oc5ccc(cc5Cl)[C@H]6O){1}c7O)c(Cl)c8 1 compound(s) in CSDB (view)
rifampin SMILES CO[C@H]1/C=C/O[C@@]5(C)Oc4c(C)c(O)c3c(O)c(NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C){23}[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(/C=N\N2CCN(C)CC2)c(O)c3c4C5=O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CO[C@H]1/C=C/O[C@@]5(C)Oc4c(C)c(O)c3c(O)c(NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(/C=N\N2CCN(C)CC2)c(O)c3c4C5=O$
3-amino-5,6,7-trihydroxy-octadecanoic acid SMILES CCCCCCCCCCC{7}C(O)C(O)C(O)C{3}C(N)C{1}C(=O)O 6 compound(s) in CSDB (view)
14-hydroxy-15-methylhexadecanoic acid 14-hydroxy-isomargaric acid SMILES CC(C){14}[C@@H](O)CCCCCCCCCCCC{1}C(=O)O 2 compound(s) in CSDB (view)
zeaxanthin SMILES C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)/C{1}[C@@H](O)CC1(C)C)/C=C/C=C(C)\C=C\C2=C(C)\C{32}[C@@H](O)CC2(C)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)/C[C@@H](O)CC1(C)C)/C=C/C=C(C)\C=C\C2=C(C)\C[C@@H](O)CC2(C)C$
phenolphthiocerol dimycocerosate SMILES CCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)CC(C)C(=O)OC(CCCCC(C)C(C)OC)CC(CCCCCCCCCCCCCCCCc1ccc{1}(O)cc1)OC(=O)C(C)CC(C)CC(C)CC(C)CC(C)CCCCCCCCCCCCCCCCCCC 7 compound(s) in CSDB (view)
5,8-tetradecadienoic acid SMILES CCCCCC=CCC=CCCCC{1}(O)=O 1 compound(s) in CSDB (view)
tetrangomycin SMILES C{3}[C@]4(O)CC(=O)c2c(ccc3c(=O)c1c(O){9}cccc1c(=O)c23)C4 2 compound(s) in CSDB (view)
γ-rhodomycinone SMILES CCC4(O)CCc3c(O)c2c(=O)c1c(O)cccc1c(=O)c2c(O)c3{10}C4O 4 compound(s) in CSDB (view)
α-mycolic acid SMILES CCCCCCCCCCCCCCCCCCCCCCCC[C@H]({1}C(=O)O)[C@@H](O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCC 2 compound(s) in CSDB (view)
porphyra-334 SMILES CC(O)C(N/C1={1}C(O)/C(=N/CC(=O)O)CC(O)({7}CO)C1)C(=O)O 1 compound(s) in CSDB (view)
2,3-dihydroxytetradecanoic acid 2,3-dihydroxymyristic acid SMILES CCCCCCCCCCCC(O)C(O){1}C(=O)O 1 compound(s) in CSDB (view)
6-(1-hydroxyethyl)-phenazine-1-carboxylic acid 12-hydroxysaphenic acid SMILES C{12}C(O)c2cccc3nc1c({11}C(=O)O)cccc1nc23 6 compound(s) in CSDB (view)
11-cyclohexylundecanoic acid SMILES O={1}C(O)CCCCCCCCCCC1CCCCC1 2 compound(s) in CSDB (view)
1,3R,27R-octacosanetriol SMILES C[C@H](O)CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C{1}CO 1 compound(s) in CSDB (view)
27-oxo-1,3R-octacosanediol SMILES CC(=O)CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C{1}CO 1 compound(s) in CSDB (view)
myxol SMILES C/C(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)\CC(O)CC1(C)C)/C=C/C=C(C)/C=C/C=C(C)/C=C/{29}C(O)C(C)(C)O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)\CC(O)CC1(C)C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C(O)C(C)(C)O$
1,3R,25R-hexacosanetriol SMILES C[C@H](O)CCCCCCCCCCC[C@@H](O)C{1}CO 1 compound(s) in CSDB (view)
1,3S,25R-hexacosanetriol SMILES C[C@H](O)CCCCCCCCCCC[C@H](O)C{1}CO 1 compound(s) in CSDB (view)
3-oxo-1,25R-hexacosanediol SMILES C[C@H](O)CCCCCCCCCCCC(=O)C{1}CO 1 compound(s) in CSDB (view)
1,3,25-hexacosanetriol SMILES CC(O)CCCCCCCCCCCC(O)C{1}CO 1 compound(s) in CSDB (view)
11-chloroarcyriaflavin A SMILES O=c1{6}[nH]c(=O)c6c1c3c2ccccc2[nH]c3c5{12}[nH]c4c(Cl)cccc4c56 4 compound(s) in CSDB (view)
arcyriaflavin A SMILES O=c1{6}[nH]c(=O)c6c1c3c2ccccc2[nH]c3c5{12}[nH]c4ccccc4c56 4 compound(s) in CSDB (view)
1,11-dichloroarcyriaflavin A SMILES O=c1[nH]c(=O)c6c1c3c2cccc(Cl)c2{12}[nH]c3c5[nH]c4c(Cl)cccc4c56 1 compound(s) in CSDB (view)
4,4'-diapolycopenedioic acid SMILES C/C(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\C=C(C)/{4}C(=O)O)/C=C/C=C(C)\C=C\C=C(C)/C(=O)O 4 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\C=C(C)/C(=O)O)/C=C/C=C(C)\C=C\C=C(C)/C(=O)O$
13-methyltridecanoic acid isomyristic acid SMILES CC(C)CCCCCCCCCC{1}C(=O)O 2 compound(s) in CSDB (view)
14R-hydroxyhexadecanoic acid 14R-hydroxypalmitic acid SMILES CC{14}[C@@H](O)CCCCCCCCCCCCCCCCCCC{1}C(=O)O 1 compound(s) in CSDB (view)
10-methylundecanoic acid isolauric acid SMILES CC(C)CCCCCCCC{1}C(=O)O 4 compound(s) in CSDB (view)
3-hydroxy-26-oxo-kijanolide SMILES C/C2=C/C{17}[C@H](O)/C(C)=C\[C@H]1\C=C(CO)/[C@H](C)CC15OC(=O)/C(=C(O)\[C@]4(C)[C@H]2/C=C\[C@@H]3{9}[C@@H](O)[C@@H](C)C[C@H](C)[C@H]34)C5=O 3 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C2=C/C[C@H](O)/C(C)=C\[C@H]1\C=C(CO)/[C@H](C)CC15OC(=O)/C(=C(O)\[C@]4(C)[C@H]2/C=C\[C@@H]3[C@@H](O)[C@@H](C)C[C@H](C)[C@H]34)C5=O$
kijanolide SMILES C/C3=C/C{17}[C@H](O)/C(C)=C\[C@H]1\C=C(CO)/[C@H](C)C[C@]12OC(=O)/C(=C2/O)C(=O)[C@]5(C)[C@H]3/C=C\[C@@H]4{9}[C@@H](O)[C@@H](C)C[C@H](C)[C@H]45 5 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C3=C/C[C@H](O)/C(C)=C\[C@H]1\C=C(CO)/[C@H](C)C[C@]12OC(=O)/C(=C2/O)C(=O)[C@]5(C)[C@H]3/C=C\[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]45$
2-dodecanoyl-3-hydroxy-docosanoic acid SMILES CCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCC){1}C(=O)O 1 compound(s) in CSDB (view)
(+)-corynomycolic acid SMILES CCCCCCCCCCCCCCC{2}[C@@H](O)[C@@H](CCCCCCCCCCCCCC){1}C(=O)O 3 compound(s) in CSDB (view)
corynomycolic acid SMILES CCCCCCCCCCCCCCCC{2}C(O)C(CCCCCCCCCCCCCC){1}C(=O)O 2 compound(s) in CSDB (view)
2,4,6,8,10,12,14,16-octamethyl-17-hydroxytetratriacontanoic acid SMILES CCCCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C){1}C(=O)O 1 compound(s) in CSDB (view)
4,8,12,16,20-pentamethyltricosanol SMILES CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CC{1}CO 1 compound(s) in CSDB (view)
phenolphtiocerol SMILES CCC{31}(O)C(C)CCCCC{25}(O)CC{23}(O)CCCCCCCCCCCCCCCCc1cc{1}c(O)cc1 1 compound(s) in CSDB (view)
2,4,6,8-tetramethylhexacosanoic acid SMILES CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C){1}C(=O)O 1 compound(s) in CSDB (view)
decaprenol SMILES C/C(C)=C\CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\{1}CO 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C(C)=C\CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CO$
auramycinone SMILES O{4}[C@H]1C[C@@](C)(O)[C@H](C(OC)=O)C2=CC3=C(C(C4=C(C=CC=C4O)C3=O)=O)C(O)=C12 6 compound(s) in CSDB (view)
sulfurmycinone SMILES O{4}[C@H]1C[C@@](CC(C)=O)(O)[C@H](C(OC)=O)C2=CC3=C(C(C4=C(C=CC=C4O)C3=O)=O)C(O)=C12 6 compound(s) in CSDB (view)
1-phenazinecarboxylic acid SMILES O{11}C(C1=CC=CC2=NC3=C(C/C=C(C)\C)C=CC=C3N=C21)=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES OC(C1=CC=CC2=NC3=C(C/C=C(C)\C)C=CC=C3N=C21)=O$
4-hydroxyphenazine-1-carboxylic acid SMILES O=C(O)C1=CC=C{4}(O)C2=NC3=CC=CC=C3N=C21 1 compound(s) in CSDB (view)
aquayamycin-type angucycline SMILES O=C1C2(O)C(CCC(CC(O)(C)C3)(O)C2(O)C3=O)(O)C(C4=C1C=C{9}C=C4O)=O 2 compound(s) in CSDB (view)
sodium 6E,10E,14E-13-hydroxy-3S-geranyllinalool-16-oate SMILES C=C{3}[C@@](C)(O)CC/C=C(C)/CC/C=C(C)/C{13}[CH](O)/C=C(C)/{16}C([O-])=O 1 compound(s) in CSDB (view)
20R-18,20-epoxystrophanthidin SMILES O{14}[C@@]12[C@H](CC{5}[C@@]3(O)[C@]4(C=O)CC{3}[C@H](O)C3)[C@@H]4CC[C@@]15CO[C@@]6(COC(C6)=O)[C@H]5CC2 1 compound(s) in CSDB (view)
20S-18,20-epoxycannogenin SMILES O{14}[C@@]12[C@H](CC[C@@]3([H])[C@]4(C=O)CC{3}[C@H](O)C3)[C@@H]4CC[C@@]15CO[C@]6(COC(C6)=O)[C@H]5CC2 1 compound(s) in CSDB (view)
7S,8S-dehydrodiconiferol derivative SMILES O{4}C1=C(OC)C=C(C=C1)[C@@]([C@@]([H])2{9}CO)([H])OC3=C2C=C(C=C3OC)/C=C/{59}C(O)=O 1 compound(s) in CSDB (view)
furost-5-en-1β,3β,22,26-tetrol SMILES [H][C@]1(O{22}C(CCC(C){26}CO)(O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC=C5C{3}[C@@H](O)C{1}[C@@H](O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H] 1 compound(s) in CSDB (view)
ilexgenin B SMILES CC1(C){3}[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H]){19}[C@](C)(O)[C@@H](C)CC[C@@]({28}C(O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H] 4 compound(s) in CSDB (view)
2R-hydroxy-pentadec-3E-enoic acid SMILES CCCCCCCCCCC/C=C/[C@@H](O)C{1}(O)=O 1 compound(s) in CSDB (view)
E-3-(1-hydroxypropan-2-ylidene)-8a-methyl-1,2,3,3aR,4,5,8,8aR-octahydroazulene-6-carboxylic acid asperalacid E aglycon SMILES C[C@]1(CC/2)[C@@H](CCC({14}C(O)=O)=CC1)C2=C(C)\C{12}O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C[C@]1(CC/2)[C@@H](CCC(C(O)=O)=CC1)C2=C(C)\CO$
5-ethyl-2-methylbenzene-1,3-diol SMILES O{3}C1=CC(CC)=C{1}C(O)=C1C 1 compound(s) in CSDB (view)
6-methoxy-7-methylisoquinolin-8-ol puniceusine O aglycon SMILES CC1={8}C(O)C(C=NC=C2)=C2C=C1OC 1 compound(s) in CSDB (view)
3-[4,6R-dimethylocta-2E,4E-dienoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one tenellin SMILES O=C1C(C(/C=C/C(C)=C/[C@H](C)CC)=O)=C(O)C(C2=CC=C(O)C=C2)=CN1{1}O 1 compound(s) in CSDB (view)
(1R,4R,5S,7R)-guaiane-3R,10R,11R,12-tetrol xylarioxide B aglycon SMILES C{11}[C@]([C@H](CC[C@]1(O)C)C[C@@]2([H])[C@@H](C){3}[C@H](O)C[C@]21[H])(O){12}CO 1 compound(s) in CSDB (view)
(1R,4R,5S,7R)-guaiane-3R,10R,11S,12-tetrol xylarioxide C aglycon SMILES C{11}[C@@]([C@H](CC[C@]1(O)C)C[C@@]2([H])[C@@H](C){3}[C@H](O)C[C@]21[H])(O){12}CO
(1R,5R,7R)-guaiane-4R,10R,11S,12-tetrol xylarioxide D aglycon SMILES C{11}[C@@]([C@H](CC{10}[C@]1(O)C)C[C@@]2([H]){4}[C@](C)(O)CC[C@]21[H])(O){12}CO 1 compound(s) in CSDB (view)
(20S,24R)-3,4-seco-ergosta-7-en-5a,6a,22R,23S-tetrol-3,4-olide xylarioxide E aglycon SMILES C[C@H](C(C)C){23}[C@H](O){22}[C@H](O)[C@@H](C)[C@H]1CC[C@@]2([H])C3=C{6}[C@H](O){5}[C@@]4(O)COC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O 1 compound(s) in CSDB (view)
(20R,24S)-ergosta-22-en-7-one-3β,5α,6β,25-tetrol xylarioxide F aglycon SMILES C[C@H]({25}C(C)(O)C)/C=C/[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])C({6}[C@@H](O){5}[C@@]4(O)C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O 1 compound(s) in CSDB (view)
8-hydroxymethyl-1R-isopropyl-4R-methylspiro[4.5S]dec-7-en-2S-ol trichoacorside A aglycon SMILES O{15}CC1=CC[C@]2(CC1)[C@@H](C(C)C){2}[C@@H](O)C[C@H]2C 1 compound(s) in CSDB (view)
3-methyl-acetobenzene-2,4-diol SMILES CC(C1=CC={4}C(O)C(C)={2}C1O)=O 1 compound(s) in CSDB (view)
11R,12R-dihydroxy-6S,14R-dimethyl-1,7-dioxacyclotetradeca-3E,9E-diene-2,8-dione halosmysin C aglycon SMILES O=C1/C=C/{11}[C@@H](O){12}[C@H](O)C[C@@H](C)OC(/C=C/C[C@H](C)O1)=O 1 compound(s) in CSDB (view)
5Z,7Z-14-heptyl-2,10-dihydroxy-6-methyl-2R,3aS,3,4S,9R,10S-hexahydro-1H-4,10-methanocyclopenta[10]annulen-12-one penostatin F SMILES [H][C@@]12C(C{5}[C@H](O)C2)=C{1}[C@@](O)([C@H](CCCCCCC)/C=C\C(C)=C/[C@]31[H])C3=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES [H][C@@]12C(C[C@H](O)C2)=C[C@@](O)([C@H](CCCCCCC)/C=C\C(C)=C/[C@]31[H])C3=O$
5Z,7Z-14-heptyl-2,10-dihydroxy-6-methyl-2R,3aR,3,4R,9S,10R-hexahydro-1H-4,10-methanocyclopenta[10]annulen-12-one penostatin I SMILES [H][C@]12C(C{5}[C@H](O)C2)=C{1}[C@](O)([C@@H](CCCCCCC)/C=C\C(C)=C/[C@@]31[H])C3=O 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES [H][C@]12C(C[C@H](O)C2)=C[C@](O)([C@@H](CCCCCCC)/C=C\C(C)=C/[C@@]31[H])C3=O$
jejucarboside B aglycon SMILES C=CC1=CC(Cl)=C({8}[C@](O)([H]){158}[C@]2(O)C3=C[C@@]4([H])[C@]2([H])OC(O4)=O)C3=C1 1 compound(s) in CSDB (view)
jejucarboside C aglycon SMILES O[C@]1([H]){9}[C@]2(O){8}[C@@](O)([H])C3=CC=C(C=C)C(Cl)=C3C2=C[C@]1([H])O 1 compound(s) in CSDB (view)
jejucarboside D aglycon SMILES O[C@]1([H]){9}[C@]2(O){8}[C@@](O)([H])C3=C(Cl)C=C(C=C)C=C3C2=C[C@]1([H])O 1 compound(s) in CSDB (view)
jejucarboside E aglycon SMILES O[C@]1([H]){9}[C@]2(O){8}[C@@](O)([H])C3=C(Cl)C=C(C=C)C=C3C2=C[C@]1([H])OC(OC)=O 1 compound(s) in CSDB (view)
iezoside aglycon SMILES CC(C)C[C@H](NC([C@@H](C)N(C)C(/C(C)=C/C=C(C)/[C@@H](C){19}[C@H](O)/C=C/C(C)=C/CC)=O)=O)C1=NC=CS1 3 compound(s) in CSDB (view)
2S,4S,6R,8R-tetramethyl-9R-hydroxy-tetracosanoic acid C28-HPA SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C{1}(O)=O 4 compound(s) in CSDB (view)
2S,4S,6S,8S,10S-pentamethyl-hexacosanoic acid C31PA SMILES CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C){1}C(O)=O 1 compound(s) in CSDB (view)
2S,4S,6S,8R,10R-pentamethyl-11R-hydroxy-hexacosanoic acid C31-HPA SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C){1}C(O)=O 2 compound(s) in CSDB (view)
2S,4S,6S,8R,10R,12R-hexamethyl-13R-hydroxy-octacosanoic acid C34-HPA SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C){1}C(O)=O 1 compound(s) in CSDB (view)
5,7-dihydroxy-6-((2E,6E)-11-hydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl)isobenzofuran-1(3H)-one 10'-dehydroxy-3-oxo-memnoconol SMILES O=C(OC1)C2=C1C=C(O)C(C/C=C(C)/CC/C=C(C)/CCCC(C){61}(O)C)=C2O 1 compound(s) in CSDB (view)
2S-methyl-4-oxo-5S-((3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hexanoic acid ganoderic acid C2 SMILES O=C(C[C@H](C)C(O)=O)[C@@H](C)[C@@]1([H])C{15}[C@H](O)[C@@]([C@]1(C)CC2=O)(C)C3=C2[C@]4(C)[C@](C[C@@H]3O)([H])C(C)(C){3}[C@@H](O)CC4 2 compound(s) in CSDB (view)
4,8-dihydroxy-3-methyl-dihydroisocumarin SMILES O{8}C1=C(C(O[C@@H](C){4}C2O)=O)C2=CC=C1 2 compound(s) in CSDB (view)
5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methyl-4H-chromen-4-one 9-hydroxyeugenetin SMILES O{9}CC(OC1=CC(OC)=C(C){5}C(O)=C12)=CC2=O 1 compound(s) in CSDB (view)
6-((1S,4S)-4-(hydroxymethyl)cyclohex-2-en-1-yl)-2-methylheptane-2,3-diol trichobisabolin X SMILES CC(CC{10}C(O){11}C(C)(O)C)[C@]1([H])CC[C@H]({14}CO)C=C1 1 compound(s) in CSDB (view)
3R-((R)-2-hydroxy-6-methylhept-5-en-2-yl)-2S-methylcyclopentan-1R-ol cyclonerodiol SMILES O{3}[C@H]1[C@@H](C)[C@]([H])({7}[C@](C)(O)CC/C=C(C)/C)CC1 1 compound(s) in CSDB (view)
2S,3S,6R,7R,10R-13-O-isoepicyclonerodiol oxide cycloneroside B aglycon SMILES C[C@H]1[C@]([H])([C@]2(C)O[C@@H]({11}C(C)(O)C)CC2)CC[C@@H]1{13}CO 1 compound(s) in CSDB (view)
2-((2R,5R)-5-((R)-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-yl)-5-methyltetrahydrofuran-2-yl)propan-2-ol cycloneroside С aglycon SMILES [H][C@]1([C@]2(C)O[C@@H]({11}C(C)(O)C)CC2)C(C)=C({13}CO)CC1 1 compound(s) in CSDB (view)
2-((2R,5R)-5-((1R,2S)-3-(hydroxymethyl)-2-methylcyclopent-3-en-1-yl)-5-methyltetrahydrofuran-2-yl)propan-2-ol cycloneroside D aglycon SMILES [H][C@]1([C@]2(C)O[C@@H]({11}C(C)(O)C)CC2)[C@H](C)C({13}CO)=CC1
(R)-5-((1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl)-2,2,5-trimethyldihydrofuran-3(2H)-one cycloneroside E aglycon SMILES C[C@H]1[C@]([H])([C@]2(C)OC(C)(C)C(C2)=O)CC{3}[C@]1(O)C 1 compound(s) in CSDB (view)
harzianoside A aglycon SMILES O{3}[C@H]1C[C@@H](C)[C@]2(CCC(C)=C3C4=O)[C@]([H])([C@@]3(C4)C)C[C@H]1C2(C)C 1 compound(s) in CSDB (view)
11R-methoxy-5,9,13-proharzitrien-19-ol harzianoside B aglycon SMILES C/C1=C\{11}[C@@H](O)C/C({19}CO)=C/C[C@@H]2CCC(C)=C(CC1)C2(C)C 1 compound(s) in CSDB (view)	$Subst // Subst = SMILES C/C1=C\[C@@H](O)C/C(CO)=C/C[C@@H]2CCC(C)=C(CC1)C2(C)C$
4-hydroxy-6-pentyl-2H-pyran-2-one 4-hydroxy-6-pentyl-2-pyrone SMILES O=C1C={4}C(O)C=C(CCCCC)O1 1 compound(s) in CSDB (view)
6-(7R-hydroxypentyl)-4-methoxy-6-pentyl-2-pyrone SMILES O=C1C=C(OC)C=C({7}[C@H](O)CCCC)O1 1 compound(s) in CSDB (view)
6-(7S-hydroxypentyl)-4-methoxy-6-pentyl-2-pyrone SMILES O=C1C=C(OC)C=C({7}[C@@H](O)CCCC)O1 1 compound(s) in CSDB (view)
1-(4-hydroxy-3-methoxyphenyl)ethan-1-one lecaniside D aglycon SMILES CC(C1=CC(OC)={4}C(C=C1)O)=O 1 compound(s) in CSDB (view)
2,2-dimethyl-3-oxoicosa-4E,10E,14E,18E-tetraenoic acid SMILES C/C=C/CC/C=C/CC/C=C/CCCC/C=C/C(C(C)(C){1}C(O)=O)=O 1 compound(s) in CSDB (view)
3α,21R-3-O-(3'-hydroxy-3'-methyl)glutaroyl-lanostan-8,24(31)-diene-21-oic acid forpinioside B aglycon SMILES CC1(C)[C@H](OC(C[C@@](C)(O)CC(O)=O)=O)CC[C@@]2(C)C1CCC3=C2CC[C@@]4(C)[C@@]3(C)CC[C@@H]4[C@@H](CCC(C(C)C)=C){21}C(O)=O 1 compound(s) in CSDB (view)
2α-hydroxy,3α-[(3'S)-4'-carboxyl-3'-hydroxy-3'-methylbutanoyloxy]lanosta-8,24(31)-dien-21-oic acid forpinioside C aglycon SMILES CC1(C)[C@H](OC(C[C@@](C)(O)CC(O)=O)=O)[C@H](O)C[C@@]2(C)[C@@]1([H])CCC3=C2CC[C@@]4(C)[C@@]3(C)CC[C@@H]4[C@@H](CCC(C(C)C)=C){21}C(O)=O 1 compound(s) in CSDB (view)
(R)-8-hydroxy-3,5-dimethylisochroman-1-one xylaphenoside A aglycon SMILES O{8}C1=CC=C(C)C(C[C@@H](C)O2)=C1C2=O 1 compound(s) in CSDB (view)
(21-oxo-3,6,9,12,15,18-hexaoxa-22-azapentacosan-1-yl)amine SMILES {19}NCCOCCOCCOCCOCCOCCOCCC(=O)NCC{1}CO 9 compound(s) in CSDB (view)
2S-aminododecanol SMILES O{1}C{2}[C@@H](N)CCCCCCCCCC 5 compound(s) in CSDB (view)
2S-aminooctadecanol SMILES O{1}C{2}[C@@H](N)CCCCCCCCCCCCCC 2 compound(s) in CSDB (view)
dithiohexanol SMILES O{1}CCCCCCSSCCCCC{12}CO 3 compound(s) in CSDB (view)
2,4R-dimethyl-docos-2E-enoic acid SMILES CCCCCCCCCCCCCCCCC{4}C[C@@H](C)/C={2}C(C)/{1}C(=O)O 1 compound(s) in CSDB (view)
4S,8S,12S,16S,20S-pentamethylheptacosanol SMILES CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC{1}CO 3 compound(s) in CSDB (view)
3-hydroxy-35-[(icosan-2-yl)oxy]-35-oxo-2-pentacosylpentatriacont-21E-enoic acid SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCCCCCCCCC)O){80}C(=O)O 2 compound(s) in CSDB (view)
2R-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid SMILES CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O){85}C(=O)O 2 compound(s) in CSDB (view)
8-phenyloctanoic acid SMILES O={1}C(O)CCCCCCCC1=CC=CC=C1 1 compound(s) in CSDB (view)
17-hydroxyphthioceranoic acid SMILES CCCCCCCCCCCCCCCC(O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C){1}C(=O)O
11,14-icosadienoic acid SMILES CCCCC/C=C\C\C=C/CCCCCCCCC{1}C(=O)O 2 compound(s) in CSDB (view)	$Subst // Subst = SMILES CCCCC/C=C\C\C=C/CCCCCCCCCC(=O)O$

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