MonarchInit/C3PO huggingface dataset:
Compound: Cosmosporaside B
SMILES: CC(CCC=C(C)C)C(=O)CC(OC(C)=O)C(\C)=C\CO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO
Compound: Cosmosporaside C, (rel)-
SMILES: CC(=O)O[C@@H](C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@](C)(O)CCC=C(C)C)C(\C)=C\CO[C@H]([C@H](O)COCC=C(C)C)[C@H](O)[C@H](O)CO
Compound: Cosmosporaside D, (rel)-
SMILES: CCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H](C[C@H](OC(C)=O)C(\C)=C\CO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO)[C@](C)(O)CCC=C(C)C
Compound: Cosmosporaside E, (rel)-
SMILES: CCCCC\C=C/CCC(=O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H](C[C@H](OC(C)=O)C(\C)=C\CO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO)[C@](C)(O)CCC=C(C)C
Compound: ajugaciliatin A
SMILES: CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]2(O)CCl)OC(=O)[C@@H](C)CC)C1=CC(=O)OC1
Compound: ajugaciliatin B
SMILES: CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]2(O)CCl)OC(C)=O)C1=CC(=O)OC1
Compound: ajugaciliatin C
SMILES: CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]2(O)CCl)OC(=O)C(\C)=C\C)C1=CC(=O)OC1
Compound: ajugaciliatin D
SMILES: CC[C@H](C)C(=O)O[C@@H]1CC[C@](O)(CCl)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
Compound: ajugaciliatin E
SMILES: C\C=C(/C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]2(O)CCl)OC(=O)C(\C)=C\C)C1=CC(=O)OC1
Compound: ajugamarin A2 chlorohydrin
SMILES: C\C=C(/C)C(=O)O[C@@H]1CC[C@](O)(CCl)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
Compound: ajugamarin A1 chlorohydrin
SMILES: C\C=C(/C)C(=O)O[C@@H]1CC[C@](O)(CCl)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
Compound: ajugaciliatin F
SMILES: C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]3[C@@H](CC[C@]2(O)CCl)O[C@H](C[C@@]13C)C1=CC(=O)OC1
Compound: ajugaciliatin G
SMILES: C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]3[C@@H](CC[C@]2(O)CO)O[C@H](C[C@@]13C)C1=CC(=O)OC1
Compound: ajugaciliatin H
SMILES: C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]3[C@@H](CC[C@]22CO2)O[C@H](C[C@@]13C)C1=CC(=O)OC1
Compound: ajugaciliatin I
SMILES: C\C=C(/C)C(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)COC(C)=O
Compound: ajugaciliatin J
SMILES: C\C=C(/C)C(=O)OC[C@@]1(O)CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12CO
Compound: ajugacumbin A chlorohydrin
SMILES: C\C=C(/C)C(=O)OC[C@@]12[C@H](C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CCl)OC(C)=O
Compound: ajugacumbin F
SMILES: C\C=C(/C)C(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CO
Compound: ajugatakasin B
SMILES: CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]21CO1)OC(=O)[C@@H](C)CC)C1=CC(=O)OC1
Compound: ajugamarin H1
SMILES: CC[C@H](C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@H](OC(=O)C(\C)=C\C)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
Compound: ajugatakasin A
SMILES: C\C=C(/C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]21CO1)OC(=O)C(\C)=C\C)C1=CC(=O)OC1
Compound: ajugamarin G1
SMILES: CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]21CO1)OC(=O)C(\C)=C\C)C1=CC(=O)OC1
Compound: ajugamarin A1
SMILES: C\C=C(/C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
Compound: ajuganipponin A
SMILES: C\C=C(/C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]21CO1)OC(C)=O)C1=CC(=O)OC1
Compound: monotropein
SMILES: [H][C@]12C=C[C@](O)(CO)[C@@]1([H])[C@@H](OC=C2C(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: ajugacumbin A
SMILES: C\C=C(/C)C(=O)OC[C@@]12[C@H](C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1)OC(C)=O
Compound: ajugamarin B1
SMILES: CC[C@H](C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
Compound: ajugalide C
SMILES: C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](CCC[C@]22CO2)[C@@]1(C)C[C@H](O)C1=CC(=O)OC1
Compound: ajuganipponin B
SMILES: C\C=C(/C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1
Compound: ajugamarin A2
SMILES: C\C=C(/C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
Compound: ajugapantin A
SMILES: C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H]([C@@H](CC[C@]22CO2)OC(C)=O)[C@@]1(C)C[C@H](OC(C)=O)C1=CC(=O)OC1
Compound: ajugalide B
SMILES: C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H]([C@@H](CC[C@]22CO2)OC(C)=O)[C@@]1(C)C[C@H](O)C1=CC(=O)OC1
Compound: Velatumolide, (rel)-
SMILES: [H][C@@]12CCC[C@H](C)[C@@]1(C)[C@@H](OC2=O)C1=C(C)COC1=O
Compound: epi-Velatumolide
SMILES: [H][C@@]12CCC[C@H](C)[C@@]1(C)[C@H](OC2=O)C1=C(C)COC1=O
Compound: Velatumin
SMILES: [H][C@@]12C[C@H](O)C[C@H](C)[C@@]1(C)[C@H](O)c1c(CO)coc1C2=O
Compound: Montanin
SMILES: CCCCCCCCCCCC12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]5(O)[C@@H](C=C(C)C5=O)[C@@]4(O1)[C@H](C)C[C@@]3(O2)C(C)=C
Compound: (3S,4aR,5S)-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
SMILES: C[C@H]1CCCC2=CC(=O)[C@@H](C[C@]12C)C(\C)=C\O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: (3S,4aR,5S,8R)-8-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
SMILES: C[C@H]1CC[C@@H](O)C2=CC(=O)[C@@H](C[C@]12C)C(\C)=C\O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: (3S,4aR,5R,6S)-6-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
SMILES: C[C@H]1[C@@H](O)CCC2=CC(=O)[C@@H](C[C@]12C)C(\C)=C\O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: (3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
SMILES: C[C@H]1[C@H](O)CCC2=CC(=O)[C@@H](C[C@]12C)C(\C)=C\O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: (4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl isobutyrate
SMILES: [H][C@@]12CCC[C@H](C)[C@@]1(C)[C@H](OC(=O)C(C)C)c1c(C)coc1C2=O
Compound: (R)-((4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl) 2-amino-2-methylbutanoate
SMILES: [H][C@@]12CCC[C@H](C)[C@@]1(C)[C@H](OC(=O)[C@](C)(N)CC)c1c(C)coc1C2=O
Compound: (1aR,4S,4aS,5S,9aS)-4,4a,6-Trimethyl-9-oxo-2,3,4,4a,5,9-hexahydro-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5-yl 2-methylpropanoate
SMILES: [H][C@@]12CC[C@H](C)[C@@]3(C)[C@H](OC(=O)C(C)C)c4c(C)coc4C(=O)[C@@]13O2
Compound: PM050511
SMILES: COc1oc(\C=C\C(C)C\C=C\C(C)=C\C(C)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(\C)=C\C)c(C)c(=O)c1C
Compound: PM050463
SMILES: COc1oc(\C=C\C(C)C\C=C\C(C)=C\[C@@H](C)[C@@H](O)C(\C)=C\C)c(C)c(=O)c1C
Compound: PM060054
SMILES: CCc1c(OC)oc(\C=C\C(C)C\C=C\C(C)=C\C(C)C(O)C(\C)=C\C)c(C)c1=O
Compound: Montanin A
SMILES: C[C@@H]1Cc2occ3CCC[C@@H](c23)[C@@]11C[C@H](OC1=O)c1ccoc1
Compound: PM060431
SMILES: CCc1c(OC)oc(\C=C\C(C)C\C=C\C(C)=C\C(C)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(\C)=C\C)c(C)c1=O
Compound: Minutissamide A
SMILES: CCCCCCCC[C@H](C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)\C(NC(=O)[C@H](CC(N)=O)NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@@H]1O)C(C)C)=C/C)=C/C)[C@@H](C)O
Compound: Minutissamide B
SMILES: C\C=C1\NC(=O)[C@H](CC(N)=O)NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O)[C@@H](C)CCCCCCCCCl)C(C)C)=C/C
Compound: Minutissamide C
SMILES: CCC(=O)CCCCCCCCC[C@H](C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)\C(NC(=O)[C@H](CC(N)=O)NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@@H]1O)C(C)C)=C/C)=C/C)[C@@H](C)O
Compound: Minutissamide D
SMILES: CCC(O)CCCCCCCCC[C@H](C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)\C(NC(=O)[C@H](CC(N)=O)NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@@H]1O)C(C)C)=C/C)=C/C)[C@@H](C)O
Compound: Ieodomycin A
SMILES: COC(=O)C[C@@H](O)C[C@H](O)CC\C(C)=C\C=C
Compound: Ieodomycin B
SMILES: C\C(CC[C@@H]1C[C@H](O)CC(=O)O1)=C/C=C
Compound: Ieodomycin C
SMILES: C[C@@H](O)CCC\C=C\C=C\[C@@H](O)CC(O)=O
Compound: Ieodomycin D
SMILES: C[C@@H](O)CCC\C=C\C=C\C(O)=O
Compound: Euphodendrophane A, (rel)-
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(O)C(=O)[C@H](C)\C=C\C(C)(C)[C@H](OC(=O)c1cccnc1)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)C(=C)[C@@H]2OC(C)=O
Compound: Montanol
SMILES: CC(C)C(\C)=C\C(=O)[C@H](C)CCC[C@]1(C)OC\C(CC[C@H]1O)=C\CO
Compound: Euphodendrophane B, (rel)-
SMILES: [H][C@]12[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]1(O)C(=O)[C@H](C)\C=C\C(C)(C)[C@H](OC(=O)c1cccnc1)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)C(=C)[C@@H]2OC(C)=O
Compound: Euphodendrophane C, (rel)-
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)C(=O)[C@H](C)\C=C\C(C)(C)[C@H](OC(=O)c1cccnc1)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)C(=C)[C@@H]2OC(C)=O
Compound: Euphodendrophane D, (rel)-
SMILES: [H][C@]12[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]1(O)C(=O)[C@H](C)\C=C\C(C)(C)[C@H](OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(C)=O)C(=C)[C@@H]2OC(C)=O
Compound: Euphodendrophane E, (rel)-
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(O)C(=O)[C@H](C)\C=C\C(C)(C)[C@H](OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)C(C)C)C(=C)[C@@H]2OC(C)=O
Compound: Euphodendrophane F, (rel)-
SMILES: [H][C@@]12\C=C(COC(C)=O)\[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(=O)c3cccnc3)C(C)(C)\C=C\[C@@H](C)C(=O)[C@]1(C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O)OC(C)=O
Compound: Euphodendriane A, (rel)-
SMILES: [H][C@@]12[C@H](O)C(C)=C[C@@]3([H])[C@]4([H])C(C)(C)[C@]4(OC(=O)C(C)C)[C@H](OC(=O)c4ccccc4)[C@@H](C)[C@]3(O)[C@]1([H])C=C(C)C2=O
Compound: sideroxylin
SMILES: COc1c(C)c(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1C
Compound: 8-desmethylsideroxylin
SMILES: COc1cc2oc(cc(=O)c2c(O)c1C)-c1ccc(O)cc1
Compound: 6-desmethylsideroxylin
SMILES: COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1C
Compound: Hydrastine
SMILES: [H][C@@]1(OC(=O)c2c(OC)c(OC)ccc12)[C@]1([H])N(C)CCc2cc3OCOc3cc12
Compound: JBIR-56
SMILES: CCc1[nH]c(=O)c(nc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O)C(C)C
Compound: JBIR-57
SMILES: CC(C)C[C@@H](NC(=O)c1nc(C(C)C)c(=O)[nH]c1C)C(=O)N[C@@H](C)C(O)=O
Compound: Clauraila A
SMILES: COc1ccc2c(c1)[nH]c1c(OC)cc(C=O)cc21
Compound: Clauraila B
SMILES: Cc1cc2c3cccc(O)c3[nH]c2c2C=CC(C)(C)Oc12
Compound: Clauraila C
SMILES: COC(=O)c1ccc2[nH]c3ccc4OC(C)(C)C=Cc4c3c2c1
Compound: Clauraila D
SMILES: CC1(C)Oc2ccc3[nH]c4cc(O)c(C=O)cc4c3c2C=C1
Compound: Girinimbine
SMILES: Cc1cc2c3ccccc3[nH]c2c2C=CC(C)(C)Oc12
Compound: Heptaphylline
SMILES: CC(C)=CCc1c(O)c(C=O)cc2c3ccccc3[nH]c12
Compound: 7-Methoxyheptaphylline
SMILES: COc1ccc2c(c1)[nH]c1c(CC=C(C)C)c(O)c(C=O)cc21
Compound: Xanthoxyletin
SMILES: COc1c2C=CC(C)(C)Oc2cc2oc(=O)ccc12
Compound: montelukast sodium
SMILES: [Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC1)CC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Compound: Clausine E
SMILES: COC(=O)c1cc(O)c2[nH]c3ccccc3c2c1
Compound: 3-Formyl-1-hydroxy-7-methoxycarbazole
SMILES: COc1ccc2c(c1)[nH]c1c(O)cc(C=O)cc21
Compound: O-Demethylmurrayanine
SMILES: Oc1cc(C=O)cc2c3ccccc3[nH]c12
Compound: 7-Hydroxyheptaphylline
SMILES: CC(C)=CCc1c(O)c(C=O)cc2c3ccc(O)cc3[nH]c12
Compound: Murrayanine
SMILES: COc1cc(C=O)cc2c3ccccc3[nH]c12
Compound: 7-Methoxymurrayacine
SMILES: COc1ccc2c(c1)[nH]c1c3C=CC(C)(C)Oc3c(C=O)cc21
Compound: Clausine O
SMILES: Oc1ccc2c(c1)[nH]c1cc(O)c(C=O)cc21
Compound: Lansine
SMILES: COc1ccc2[nH]c3cc(O)c(C=O)cc3c2c1
Compound: Clausine K
SMILES: COc1ccc2c(c1)[nH]c1cc(OC)c(cc21)C(O)=O
Compound: Dentatin
SMILES: COc1c2C=CC(C)(C)Oc2c(c2oc(=O)ccc12)C(C)(C)C=C
Compound: Moracin A
SMILES: COc1cc(OC)c2cc(oc2c1)-c1cc(O)cc(O)c1
Compound: Nor-dentatin
SMILES: CC1(C)Oc2c(C=C1)c(O)c1ccc(=O)oc1c2C(C)(C)C=C
Compound: rel-(1R,3E,7E,11S,12R)-14-Oxo-3,7,18-dolabellatriene
SMILES: [H][C@@]12CCC(C)=CCC\C(C)=C\C[C@@]1(C)C(=O)C[C@H]2C(C)=C
Compound: (3S,3aS,6E,10E,12aR)-6,10,12a-trimethyl-3-(prop-1-en-2-yl)-3,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulen-1(2H)-one
SMILES: [H][C@@]12CCC(C)=CCC\C(C)=C\C[C@@]1(C)C(=O)C[C@@H]2C(C)=C
Compound: rel-(1R,3Z,7E,11S,12S)-14-Oxo-3,7,18-dolabellatriene
SMILES: [H][C@@]12CC\C(C)=C\CC\C(C)=C/C[C@@]1(C)C(=O)C[C@@H]2C(C)=C
Compound: (1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene
SMILES: [H][C@@]12CCC(C)=CCC\C(C)=C\C[C@@]1(C)CC[C@@H]2C(C)=C
Compound: (1R,3E,7E,11S,12S,14S)-14-Hydroxy-3,7,18-dolabellatriene
SMILES: [H][C@@]12CCC(C)=CCC\C(C)=C\C[C@@]1(C)[C@@H](O)C[C@@H]2C(C)=C
Compound: (1R,3E,7E,11S,12S,14S)-14-Acetoxy-3,7,18-dolabellatriene
SMILES: [H][C@@]12CCC(C)=CCC\C(C)=C\C[C@@]1(C)[C@H](C[C@@H]2C(C)=C)OC(C)=O
Compound: Dolabellane analog-7
SMILES: [H][C@]12C[C@@]3(C)C(=O)C[C@H](C(C)=C)[C@]3([H])CCC(C)=CCC[C@]1(C)O2
Compound: Dolabellane analog-8
SMILES: [H][C@]12C[C@@]3(C)CC[C@H](C(C)=C)[C@]3([H])CCC(C)=CCC[C@]1(C)O2
Compound: (1R,3S,4S,7E,11S,12S,14S)-14-Acetoxy-3,4-epoxy-7,18-dolabelladiene
SMILES: [H][C@]12C[C@@]3(C)[C@H](C[C@H](C(C)=C)[C@]3([H])CCC(C)=CCC[C@]1(C)O2)OC(C)=O
Compound: morellin
SMILES: [H][C@@]12C[C@@]3([H])C(C)(C)O[C@@](C\C=C(\C)C=O)(C1=O)[C@]31Oc3c(CC=C(C)C)c4OC(C)(C)C=Cc4c(O)c3C(=O)C1=C2
Compound: (1R,3E,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene
SMILES: [H][C@]12CC\C(C)=C\C[C@@]3(C)C(=O)C[C@H](C(C)=C)[C@]3([H])CC[C@]1(C)O2
Compound: rel-(1R,3Z,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene
SMILES: [H][C@]12CC\C(C)=C/C[C@@]3(C)C(=O)C[C@H](C(C)=C)[C@]3([H])CC[C@]1(C)O2
Compound: (1S,4S,5S,12R,15S)-15-Isopropenyl-4,9,12-trimethyl-5-oxa-tricyclo[10.3.0.0(4,6)]pentadec-9-ene
SMILES: [H][C@]12CC\C(C)=C\C[C@@]3(C)CC[C@H](C(C)=C)[C@]3([H])CC[C@]1(C)O2
Compound: 2-((1S,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl)propan-2-ol
SMILES: [H][C@@]12CC\C(C)=C\CC\C(C)=C\C[C@@]1(C)CC[C@@H]2C(C)(C)O
Compound: rel-(1R,3E,7E,11R,12R)-12-Hydroxy-3,7-dolabelladiene
SMILES: [H][C@@]12CCC(C)=CCC\C(C)=C\C[C@@]1(C)CC[C@@]2(O)C(C)C
Compound: rel-(1R,2E,4R,7E,11S,12R)-2,7,18-Dolabellatriene
SMILES: [H][C@@]12CCC(C)=CCC[C@@H](C)\C=C\[C@@]1(C)CC[C@H]2C(C)=C
Compound: (1R,2E,4R,7E,11S,12R)-18-hydroxy-2,7-dolabelladiene
SMILES: [H][C@@]12CCC(C)=CCC[C@@H](C)\C=C\[C@@]1(C)CC[C@H]2C(C)(C)O
Compound: (1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene
SMILES: [H][C@@]12[C@H](CC(C)=CCC[C@@H](C)\C=C\[C@@]1(C)CC[C@H]2C(C)(C)O)OC(C)=O
Compound: Atractylenolide III
SMILES: [H][C@@]12CC3=C(C)C(=O)O[C@@]3(O)C[C@@]1(C)CCCC2=C
Compound: Lauroside B
SMILES: [H][C@@]1(O[C@H](C)\C=C\[C@@]2(O)[C@H](CO)CC(=O)CC2(C)C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Morfamquat
SMILES: [Cl-].[Cl-].CC1COCC(C)N1C(=O)C[n+]1ccc(cc1)-c1cc[n+](CC(=O)N2C(C)COCC2C)cc1
Compound: Metaseglyptorin A
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@H](C(C)(C)O)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H](C)CCC(CC)C(C)=C
Compound: Metasequoic acid C, (rel)-
SMILES: [H][C@@]12CCC(=C)[C@H](CC\C(C)=C\C(O)=O)[C@@]1(C)CC[C@@H](C)[C@@]2(C)O
Compound: 12alpha-hydroxy-8,15-isopimaradien-18-oic acid
SMILES: [H][C@@]12CCC3=C(C[C@H](O)[C@@](C)(C3)C=C)[C@@]1(C)CCC[C@@]2(C)C(O)=O
Compound: (-)-rel-acora-2,4(14),8-trien-15-oic acid
SMILES: CC(C)[C@@H]1C=CC(=C)[C@]11CCC(=CC1)C(O)=O
Compound: Metasequirin D
SMILES: COc1cc(\C=C\[C@H]([C@H](O)CO)c2ccc(O)c(OC)c2)ccc1O
Compound: Metasequirin E
SMILES: [H][C@@]1(OC[C@@H](O)[C@H]1c1ccc(O)c(OC)c1)[C@H](O)c1ccc(O)c(OC)c1
Compound: Metasequirin F
SMILES: [H][C@@]1(OC[C@@H](O)[C@H]1c1ccc(O)cc1)[C@H](O)c1ccc(O)c(OC)c1
Compound: 3-hydroxylabda-8(20),13-dien-15-oic acid
SMILES: [H][C@@]12CCC(=C)[C@H](CC\C(C)=C\C(O)=O)[C@@]1(C)CCC(O)C2(C)C
Compound: 3-acetoxylabda-8(20),13-dien-15-oic acid
SMILES: [H][C@@]12CCC(=C)[C@H](CC\C(C)=C\C(O)=O)[C@@]1(C)CCC(OC(C)=O)C2(C)C
Compound: 8alpha-hydroxylabda-13(16),14-dien-19-yl-cis-4-hydroxycinnamate
SMILES: [H][C@@]12CC[C@@](C)(O)[C@H](CCC(=C)C=C)[C@@]1(C)CCC[C@]2(C)COC(=O)\C=C/c1ccc(O)cc1
Compound: moricizine
SMILES: CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN3CCOCC3)c2c1
Compound: 12S,13R-dihydroxylabda-8(17),14-dien-19-oic acid
SMILES: [H][C@@]12CCC(=C)[C@H](C[C@H](O)[C@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C(O)=O
Compound: 12S,13S-dihydroxylabda-8(17),14-dien-19-oic acid
SMILES: [H][C@@]12CCC(=C)[C@H](C[C@H](O)[C@@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C(O)=O
Compound: 15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid
SMILES: [H][C@@]12CCC(=C)[C@H](C\C=C(/C)C=O)[C@@]1(C)CCC[C@]2(C)C(O)=O
Compound: 15,16-bisnor-13-oxo-8(17),11Elabdadien-19-oic acid
SMILES: [H][C@@]12CCC(=C)[C@H](\C=C\C(C)=O)[C@@]1(C)CCC[C@]2(C)C(O)=O
Compound: 8beta-hydroxy-isopimar-15-en-19-oic acid
SMILES: [H][C@]12CC[C@@](C)(C[C@]1(O)CC[C@@]1([H])[C@](C)(CCC[C@]21C)C(O)=O)C=C
Compound: Sequosempervirin B
SMILES: COc1cc(ccc1O)[C@H](\C=C\c1ccc(O)cc1)[C@H](O)CO
Compound: Sequosempervirin D
SMILES: [H][C@@]1(COC(C)(C)O1)[C@@H](\C=C\c1ccc(O)cc1)c1ccc(O)c(OC)c1
Compound: Sequosempervirin F
SMILES: COc1cc(ccc1O)[C@@H]1C[C@@H](OC[C@H]1O)c1ccc(O)cc1
Compound: Agatharesinol acetonide
SMILES: [H][C@@]1(COC(C)(C)O1)[C@@H](\C=C\c1ccc(O)cc1)c1ccc(O)cc1
Compound: Mammea F/BB, (-)-
SMILES: CCCC[C@H](O)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(O)c12
Compound: Mammea F/BA, (-)-
SMILES: CCCC[C@H](O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12
Compound: Mammea C/AA
SMILES: CCCCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c(O)c12
Compound: Mammea C/AB, (-)-
SMILES: CCCCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)[C@@H](C)CC)c(O)c12
Compound: 5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutanoyl)-4-pentyl-2H-chromen-2-one
SMILES: CCCCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12
Compound: Mammea C/BB, (-)-
SMILES: CCCCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(O)c12
Compound: 5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one
SMILES: CCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c(O)c12
Compound: Mammea B/AB, (-)-
SMILES: CCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)[C@@H](C)CC)c(O)c12
Compound: Mammea B/BA
SMILES: CCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12
Compound: Mammea B/BB, (-)-
SMILES: CCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(O)c12
Compound: Morindaparvin A
SMILES: O=C1c2ccccc2C(=O)c2c3OCOc3ccc12
Compound: Mammea A/AA
SMILES: CC(C)CC(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O
Compound: Mammea A/AB, (-)-
SMILES: CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O
Compound: Mammea A/BA
SMILES: CC(C)CC(=O)c1c(O)c(CC=C(C)C)c(O)c2c(cc(=O)oc12)-c1ccccc1
Compound: Mammea A/BB, (-)-
SMILES: CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c(cc(=O)oc12)-c1ccccc1
Compound: Mammea E/BB
SMILES: CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c(cc(=O)oc12)[C@H](CC)OC(C)=O
Compound: combretanone A
SMILES: C[C@H](C[C@@H](O)[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
Compound: combretanone B
SMILES: C[C@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)[C@@]4(C)CO
Compound: combretanone C
SMILES: C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
Compound: combretanone D
SMILES: C[C@H](C[C@@H](O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
Compound: combretanone E
SMILES: C[C@H](CCC(C)(O)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
Compound: (+)-car-3-ene
SMILES: [H][C@@]12CC=C(C)C[C@]1([H])C2(C)C
Compound: Morindone
SMILES: Cc1ccc2C(=O)c3c(O)c(O)ccc3C(=O)c2c1O
Compound: combretanone F
SMILES: C[C@H](CC(O)C(C)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
Compound: combretanone G
SMILES: COC(C)(C)\C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
Compound: combretic acid A
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@H](C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(O)=O)OC(C)=O
Compound: combretic acid B
SMILES: C[C@H](CC[C@H](O)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3[C@H](C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(O)=O)OC(C)=O
Compound: 5,7,3',5'-tetrahydroxy-3,4'-dimethyoxyflavone
SMILES: COc1c(O)cc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1OC
Compound: combretol
SMILES: COc1cc(O)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OC)c2=O
Compound: 3',5-dihydroxy-3,4',5',7-tetramethoxyflavone
SMILES: COc1cc(O)c2c(c1)oc(-c1cc(O)c(OC)c(OC)c1)c(OC)c2=O
Compound: pachypodol
SMILES: COc1cc(O)c2c(c1)oc(-c1ccc(O)c(OC)c1)c(OC)c2=O
Compound: quercetin 3,4'-dimethyl ether
SMILES: COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1OC
Compound: 3',5,7-trihydroxy-3,4',5'-trimethoxyflavone
SMILES: COc1cc(cc(O)c1OC)-c1oc2cc(O)cc(O)c2c(=O)c1OC
Compound: comazaphilone A
SMILES: CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)cc1OC)[C@H](O)C2
Compound: comazaphilone B
SMILES: CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)c(O)c1OC)[C@H](O)C2
Compound: comazaphilone C
SMILES: COc1c(O)c(O)cc(C)c1C(=O)O[C@]1(C)[C@H](O)CC2=C(COC(\C=C\C)=C2)C1=O
Compound: comazaphilone D
SMILES: C\C=C\C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@@H](C2)OC(=O)c1c(C)cc(O)cc1O
Compound: comazaphilone E
SMILES: COc1c(O)c(O)cc(C)c1C(=O)O[C@@H]1CC2=C(COC(\C=C\C)=C2)C(=O)[C@]1(C)O
Compound: comazaphilone F
SMILES: CCCC1=CC2=C(CO1)C(=O)[C@](C)(O)[C@@H](C2)OC(=O)c1c(C)cc(O)c(O)c1OC
Compound: (22E,24R)-ergosta-7,22-diene-3,6-dione
SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: asperamide B
SMILES: CCCCCCCCCCCC\C=C\[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CC\C=C(/C)CCCCCCCCCCC
Compound: (2S)-5,7,3'-trihydroxy-4'-methoxy-8-(3''-methylbut-2''-enyl)-flavonone
SMILES: COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1
Compound: (S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one
SMILES: CC(C)=CCc1c(O)c(CC=C(C)C)c2O[C@@H](CC(=O)c2c1O)c1cc(O)cc(O)c1
Compound: Morphine N-oxide
SMILES: C[N+]1([O-])CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Compound: (2S)-5,7,3',5'-tetrahydroxy-8-[3'',8''-dimethylocta-2''(E),7''-dienyl]flavonone
SMILES: CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1cc(O)cc(O)c1
Compound: (S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
SMILES: COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1
Compound: macarangin
SMILES: CC(C)=CCC\C(C)=C\Cc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O
Compound: sophoraflavanone A
SMILES: CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Compound: quercetin 7,3',4'-trimethyl ether
SMILES: COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(O)c2=O
Compound: 5,7,3'-trihydroxy-3,5'-dimethoxy-2'-(3'-methylbut-2-enyl)flavone
SMILES: COc1cc(O)c(CC=C(C)C)c(c1)-c1oc2cc(O)cc(O)c2c(=O)c1OC
Compound: 5-hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one
SMILES: C\C(CO)=C\Cc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1cc(O)c(O)cc1O
Compound: Dinoxin B
SMILES: [H][C@@]1(CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1)[C@@H](CO)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C
Compound: Lachnoisoflavones A, (rac)-
SMILES: CC(=C)C1Cc2c(O)cc3occ(-c4ccc(O)cc4O)c(=O)c3c2O1
Compound: Lachnoisoflavones B
SMILES: CC(=C)C1Cc2c(O1)cc1oc3oc4cc(O)ccc4c3c(=O)c1c2O
Compound: morphine sulfate
SMILES: OS(O)(=O)=O.[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45.[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45
Compound: luteolin-7-O-alpha-L-rhamnoside
SMILES: C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Compound: 2'-hydroxygenistein
SMILES: Oc1ccc(c(O)c1)-c1coc2cc(O)cc(O)c2c1=O
Compound: 3'-O-methylorobol
SMILES: COc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
Compound: 7-O-methyltectorigenin
SMILES: COc1cc2occ(-c3ccc(O)cc3)c(=O)c2c(O)c1OC
Compound: cajanol
SMILES: COc1cc(O)c2C(=O)[C@H](COc2c1)c1ccc(O)cc1OC
Compound: Licoagroisoflavone
SMILES: CC(=C)[C@H]1Cc2c(O1)cc1occ(-c3ccc(O)cc3)c(=O)c1c2O
Compound: Cajanin
SMILES: COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1O)c2=O
Compound: Oroidine
SMILES: Nc1nc(\C=C\CNC(=O)c2cc(Br)c(Br)[nH]2)c[nH]1
Compound: Sapotexanthin
SMILES: CC(\C=C\C=C(C)\C=C\C(=O)[C@]1(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
Compound: Cytosporin D
SMILES: [H][C@@]12O[C@@]11C[C@H](O)C(C)(C)O[C@@]1([H])C(CO)=C([C@H]2O)\C=C\CCCCC
Compound: Pestaloquinol A
SMILES: [H][C@@]12O[C@@]11C[C@H](O)C(C)(C)O[C@@]1([H])C1=C(C2=O)[C@@]2([H])[C@@H](CCCCC)O[C@@H]1[C@]13C(=O)[C@]4([H])O[C@@]44C[C@H](O)C(C)(C)O[C@@]4([H])C1=CO[C@@H](CCCCC)[C@]23[H]
Compound: Pestaloquinol B
SMILES: [H][C@@]12O[C@@]11C[C@H](O)C(C)(C)O[C@@]1([H])C1=C(C2=O)[C@]2([H])[C@H](CCCCC)O[C@H]1[C@]13C(=O)[C@]4([H])O[C@@]44C[C@H](O)C(C)(C)O[C@@]4([H])C1=CO[C@@H](CCCCC)[C@]23[H]
Compound: Carijodienone
SMILES: [H][C@@]12CC[C@@]3(C=CC(=O)C=C3C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C=C
Compound: rel-(R)-1-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl acetate
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)OC(C)=O
Compound: Pregna-1,4,20-trien-3-one
SMILES: [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C=C
Compound: Stereumin H
SMILES: [H][C@]12CC[C@](C)(O)[C@@]3([H])[C@@H](O)C(=C)[C@@](O)(C(=O)C[C@H]1C)[C@@]23[H]
Compound: Stereumin I
SMILES: [H][C@@]12CC[C@@](C)(O)[C@]3([H])[C@@H](O)C(=C)[C@](O)(C(=O)C[C@H]1C)[C@]23[H]
Compound: Stereumin J
SMILES: [H][C@@]12CC[C@](C)(O)[C@]3([H])[C@@H](O)C(=C)[C@](O)([C@@H](O)C[C@@H]1C)[C@]23[H]
Compound: Xylopimarane
SMILES: CC1(C)CCCc2c3CC[C@](C)(C=C)[C@H](O)c3c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
Compound: Clonostachydiol
SMILES: C[C@@H]1CC[C@H](O)\C=C\C(=O)O[C@H](C)[C@@H](O)\C=C\C(=O)O1
Compound: morusin
SMILES: CC(C)=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O
Compound: 5,6-anhydrolandomycinone
SMILES: Cc1cc(O)c2c3C(=O)c4c(O)ccc(O)c4C(=O)c3ccc2c1
Compound: Landomycin R
SMILES: [H][C@@]1(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O[C@H](C[C@H]1O)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12
Compound: Landomycin O
SMILES: [H][C@@]1(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O[C@H](C[C@H]1O)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12
Compound: Landomycin P
SMILES: [H][C@]1(C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1CC[C@H](O)[C@H](C)O1
Compound: Landomycin Q
SMILES: [H][C@]1(C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1CC[C@H](O)[C@H](C)O1
Compound: Landomycin W
SMILES: [H][C@@]1(CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1C[C@@H](O)[C@]([H])(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1
Compound: Landomycin M
SMILES: [H][C@@]1(CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1C[C@@H](O)[C@]([H])(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1
Compound: Landomycin T
SMILES: [H][C@@]1(C[C@@H](O)[C@H](O[C@@]2([H])C[C@@]([H])(O[C@H]3CC[C@H](O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12
Compound: Landomycin U
SMILES: [H][C@@]1(C[C@@H](O)[C@H](O[C@@]2([H])C[C@@]([H])(O[C@H]3CC[C@H](O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12
Compound: Landomycinone
SMILES: Cc1cc(O)c2c(C[C@@H](O)C3=C2C(=O)c2c(O)ccc(O)c2C3=O)c1
Compound: Landomycin D
SMILES: [H][C@@]1(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O[C@H](C[C@H]1O)Oc1ccc(O)c2C(=O)C3=C([C@H](O)Cc4cc(C)cc(O)c34)C(=O)c12
Compound: Landomycin F
SMILES: [H][C@@]1(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O[C@H](C[C@H]1O)Oc1cccc2C(=O)C3=C([C@H](O)Cc4cc(C)cc(O)c34)C(=O)c12
Compound: Landomycin B
SMILES: [H][C@@]1(CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1ccc(O)c2C(=O)C3=C([C@H](O)Cc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1C[C@@H](O)[C@]([H])(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1
Compound: Landomycin V
SMILES: [H][C@@]1(CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1cccc2C(=O)C3=C([C@H](O)Cc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1C[C@@H](O)[C@]([H])(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1
Compound: Landomycin A
SMILES: [H][C@@]1(C[C@@H](O)[C@H](O[C@@]2([H])C[C@@]([H])(O[C@H]3CC[C@H](O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1ccc(O)c2C(=O)C3=C([C@H](O)Cc4cc(C)cc(O)c34)C(=O)c12
Compound: Landomycin S
SMILES: [H][C@@]1(C[C@@H](O)[C@H](O[C@@]2([H])C[C@@]([H])(O[C@H]3CC[C@H](O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1cccc2C(=O)C3=C([C@H](O)Cc4cc(C)cc(O)c34)C(=O)c12
Compound: Macrophyllionium
SMILES: [H][C@@]1(C[C@]2([H])[C@]3(CC[N@+]2(C)C[C@@H]1CC)C([O-])=Nc1ccccc31)C(=C/OC)\C(=O)OC
Compound: Macrophylline A
SMILES: [H][C@@]1(C[C@]2([H])N(CC[C@]22C(=O)Nc3ccccc23)[C@@H](CC(C)=O)[C@@H]1CC)C(=C/OC)\C(=O)OC
Compound: Macrophylline B
SMILES: [H][C@@]1(C[C@]2([H])N(CC[C@@]22C(=O)Nc3ccccc23)[C@@H](CC(C)=O)[C@@H]1CC)C(=C/OC)\C(=O)OC
Compound: Rhynchophylline
SMILES: [H][C@@]1(C[C@]2([H])N(CC[C@]22C(=O)Nc3ccccc23)C[C@@H]1CC)C(=C/OC)\C(=O)OC
Compound: Corynoxine B
SMILES: [H][C@@]1(C[C@]2([H])N(CC[C@]22C(=O)Nc3ccccc23)C[C@H]1CC)C(=C/OC)\C(=O)OC
Compound: Isorhynchophylline
SMILES: [H][C@@]1(C[C@]2([H])N(CC[C@@]22C(=O)Nc3ccccc23)C[C@@H]1CC)C(=C/OC)\C(=O)OC
Compound: Corynoxine
SMILES: [H][C@@]1(C[C@]2([H])N(CC[C@@]22C(=O)Nc3ccccc23)C[C@H]1CC)C(=C/OC)\C(=O)OC
Compound: Corynantheidine
SMILES: [H][C@@]1(C[C@]2([H])N(CCc3c2[nH]c2ccccc32)C[C@H]1CC)C(=C/OC)\C(=O)OC
Compound: Dihydrocorynantheine
SMILES: [H][C@@]1(C[C@]2([H])N(CCc3c2[nH]c2ccccc32)C[C@@H]1CC)C(=C/OC)\C(=O)OC
Compound: Stachyline A, (E and Z)-
SMILES: CC(=C)[C@H](O)COc1ccc(CC=NO)cc1
Compound: Stachyline B
SMILES: CC(=C)[C@H](O)COc1ccc(CC(O)=O)cc1
Compound: Stachyline C
SMILES: CC(=C)[C@H](O)COc1ccc(CCO)cc1
Compound: Stachyline D
SMILES: CC(C)[C@H](O)COc1ccc(CC(O)=O)cc1
Compound: Etrogol
SMILES: CC(C)=CCOc1ccc(CCO)cc1
Compound: moxifloxacin hydrochloride
SMILES: Cl.[H][C@@]12CCCN[C@]1([H])CN(C2)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1
Compound: 4-hydroxycordoin
SMILES: CC(C)=CCOc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1
Compound: (+)-aR,11S-Myricanol
SMILES: COc1c(O)c2CCCC[C@H](O)CCc3ccc(O)c(c3)-c(c2)c1OC
Compound: myricitrin
SMILES: C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Compound: (2E,4E)-N-[2-(methylsulfinyl)ethyl]-2,4-decadienamide
SMILES: CCCCC\C=C\C=C\C(=O)NCCS(C)=O
Compound: (2E,4E)-N-[(4-hydroxy-3-methoxyphenyl)ethyl]-2,4-decadienamide
SMILES: CCCCC\C=C\C=C\C(=O)NCCc1ccc(O)c(OC)c1
Compound: 3-(4-hydroxy-3,5-dimethoxyphenyl)propanoylpyrrole
SMILES: COc1cc(CCC(=O)n2cccc2)cc(OC)c1O
Compound: 3-(3,4,5-timethoxyphenyl)propanoylpyrrole
SMILES: COc1cc(CCC(=O)n2cccc2)cc(OC)c1OC
Compound: 1-[(2E,4E,6E)-2,4,6-dodecatrienoyl]pyrrolidine
SMILES: CCCCC\C=C\C=C\C=C\C(=O)N1CCCC1
Compound: 1-[(2E,4Z,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine
SMILES: O=C(\C=C\C=C/CC\C=C\c1ccc2OCOc2c1)N1CCCC1
Compound: 1-[(2E,4E,10E)-10-(3,4-methylenedioxyphenyl)-2,4,10-undecatrienoyl]pyrrolidine
SMILES: O=C(\C=C\C=C\CCCC\C=C\c1ccc2OCOc2c1)N1CCCC1
Compound: Moxonidine
SMILES: COc1nc(C)nc(Cl)c1NC1=NCCN1
Compound: 1-[(4E,10E)-11-(3,4-methylenedioxyphenyl)-4,10-undecadienoyl]pyrrolidine
SMILES: O=C(CC\C=C\CCCC\C=C\c1ccc2OCOc2c1)N1CCCC1
Compound: 1-[(9E)-10-(3,4-methylenedioxyphenyl)-9-decenoyl]pyrrolidine
SMILES: O=C(CCCCCCC\C=C\c1ccc2OCOc2c1)N1CCCC1
Compound: 1-[(2E,4E)-2,4-decadienoyl]pyrrolidine
SMILES: CCCCC\C=C\C=C\C(=O)N1CCCC1
Compound: 1-[(2E,4E)-2,4-dodecadienoyl]pyrrolidine
SMILES: CCCCCCC\C=C\C=C\C(=O)N1CCCC1
Compound: 1-[(2E)-7-(3,4-methylenedioxyphenyl)-2-heptenoyl]pyrrolidine
SMILES: O=C(\C=C\CCCCc1ccc2OCOc2c1)N1CCCC1
Compound: 1-[(2E,4E)-7-(3,4-methylenedioxyphenyl)-2,4-heptadienoyl]pyrrolidine
SMILES: O=C(\C=C\C=C\CCc1ccc2OCOc2c1)N1CCCC1
Compound: 1-[(2E,8E)-9-(3,4-methylenedioxyphenyl)-2,8-nonadienoyl]pyrrolidine
SMILES: O=C(\C=C\CCCC\C=C\c1ccc2OCOc2c1)N1CCCC1
Compound: 1-[(8E)-9-(3,4-methylenedioxyphenyl)-8-nonenoyl]pyrrolidine
SMILES: O=C(CCCCCC\C=C\c1ccc2OCOc2c1)N1CCCC1
Compound: 1-[(2E,4E,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine
SMILES: O=C(\C=C\C=C\CC\C=C\c1ccc2OCOc2c1)N1CCCC1
Compound: 1-[(2E,4E)-11-(3,4-methylenedioxyphenyl)-2,4-undecadienoyl]pyrrolidine
SMILES: O=C(\C=C\C=C\CCCCCCc1ccc2OCOc2c1)N1CCCC1
Compound: licarbazepine
SMILES: NC(=O)N1c2ccccc2CC(O)c2ccccc12
Compound: 1-[(2E,10E)-11-(3,4-methylenedioxyphenyl)-2,10-undecadienoyl]pyrrolidine
SMILES: O=C(\C=C\CCCCCC\C=C\c1ccc2OCOc2c1)N1CCCC1
Compound: (2E,4E)-N-isobutyl-2,4-dodecadienamide
SMILES: CCCCCCC\C=C\C=C\C(=O)NCC(C)C
Compound: (2E,4E)-N-isobutyl-7-(3,4-methylenedioxyphenyl)-hepta-2,4-dienamide
SMILES: CC(C)CNC(=O)\C=C\C=C\CCc1ccc2OCOc2c1
Compound: (8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide
SMILES: CC(C)CNC(=O)CCCCCC\C=C\c1ccc2OCOc2c1
Compound: (2E,4E,8E)-N-isobutyl-11-(3,4-methylenedioxyphenyl)undeca-2,4,8-trienamide
SMILES: CC(C)CNC(=O)\C=C\C=C\CC\C=C\CCc1ccc2OCOc2c1
Compound: N-trans-sinapoyltyramine
SMILES: COc1cc(cc(OC)c1O)\C=C\C(=O)NCCc1ccc(O)cc1
Compound: Schizanthine N
SMILES: [H][C@]12C[C@H](C[C@]([H])([C@@H](C1)OC(=O)C(\C)=C/C)N2C)OC(=O)\C=C(/C)CO
Compound: Schizanthine O
SMILES: [H][C@]12C[C@H](C[C@]([H])([C@@H](C1)OC(=O)C=C(C)C)N2C)OC(=O)\C=C(/C)CO
Compound: Schizanthine P
SMILES: [H][C@]12C[C@H](C[C@]([H])([C@@H](C1)OC(=O)C=C(C)C)N2C)OC(=O)\C=C(/C)C(O)=O
Compound: cornusalterin A
SMILES: COC(C)(C)\C=C\C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
Compound: cornusalterin B
SMILES: COC(C)(C)\C=C\C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
Compound: cornusalterin C
SMILES: COC(C)(C)\C=C\C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
Compound: cornusalterin D
SMILES: C[C@@H](C\C=C\C(C)=C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
Compound: cornusalterin E
SMILES: CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]12C
Compound: cornusalterin F
SMILES: CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C=CC(=O)[C@]4(C)[C@H]3CC[C@@]12C
Compound: cornusalterin G
SMILES: CO[C@H](C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C=C(C)C
Compound: cornusalterin H
SMILES: CO[C@@H](C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C=C(C)C
Compound: cornusalterin I
SMILES: CO[C@@H](C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]12C)C=C(C)C
Compound: cornusalterin J
SMILES: CO[C@H](C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C=C(C)C
Compound: cornusalterin K
SMILES: CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]12C
Compound: Mucronine A
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc(ccc2OC)\C=C/NC(=O)[C@H](Cc2ccccc2)NC1=O)N(C)C
Compound: cornusalterin L
SMILES: CC(C)=C[C@@H]1C[C@H](CO1)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
Compound: deoxyflindissone
SMILES: CC(C)=C[C@H]1C[C@H](CO1)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
Compound: (-)-leucophyllone
SMILES: COC(C)(C)\C=C\C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
Compound: (2'S)-Hydroxystemofoline
SMILES: [H][C@]12C[C@]3([H])N4CC[C@@]([H])([C@]5(O\C([C@@H](C)[C@]35[H])=C3OC(=O)C(C)=C/3OC)O1)[C@@]24C[C@@H](O)CC
Compound: (2'S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)-
SMILES: [H][C@]12C[C@]3([H])N4CC[C@@]([H])([C@@]5(O1)O[C@@]([H])([C@@H](C)[C@]35[H])[C@@]1([H])OC(=O)C(C)=C1OC)[C@@]24C[C@@H](O)CC
Compound: Stemofuran E
SMILES: COc1cc(c(C)c(O)c1C)-c1cc2c(O)cccc2o1
Compound: Stilbostemin F
SMILES: COc1cc(O)c(C)c(CCc2cccc(O)c2OC)c1
Compound: Stemofuran M
SMILES: COc1cc(O)c(C)c(c1)-c1cc2c(O)cc(OC)cc2o1
Compound: Stemofuran N
SMILES: COc1cc(OC)cc(c1)-c1cc2c(O)cc(OC)cc2o1
Compound: Stemofuran O
SMILES: COc1c(C)c(OC)c(C)c(c1C)-c1cc2c(O)cccc2o1
Compound: Mucronine B
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc(ccc2OC)\C=C/NC(=O)[C@H](Cc2ccccc2)NC1=O)NC
Compound: Stemofuran P
SMILES: COc1cc(OC)c(C)c(c1)-c1cc2c(O)cc(OC)cc2o1
Compound: Stemofuran Q
SMILES: COc1cc(O)c(C)c(c1)-c1cc2c(O)c(C)c(OC)cc2o1
Compound: Stemofuran R
SMILES: COc1cc(O)c2cc(oc2c1)-c1cc(OC)c(C)c(OC)c1C
Compound: Ilimaquinone
SMILES: [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OC)C1=O
Compound: 5-epi-ilimaquinone
SMILES: [H][C@@]12CCCC(=C)[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OC)C1=O
Compound: Nakijinol B
SMILES: [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(O)c(O)cc2ncoc12
Compound: Smenospongines B
SMILES: [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCC(O)=O)C1=O
Compound: smenospongines C
SMILES: C[C@H]1CC[C@@]2(C)[C@@H](CCCC2=C)[C@]1(C)CC1=C(O)C(=O)C=C(NCCC(O)=O)C1=O
Compound: Agminoside A
SMILES: [H][C@@]1(O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]1O[C@@]1([H])[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]1([H])[C@@H](COC(C)=O)O[C@@H](O[C@]2([H])[C@@H](CO)O[C@@H](O[C@H](CCC)CCCCCCCCCCCCCCCCOC[C@@H](OC(C)=O)C(O)=O)[C@]([H])(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]2O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Compound: Agminoside B
SMILES: [H][C@@]1(O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]1O[C@@]1([H])[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]1([H])[C@@H](COC(C)=O)O[C@@H](O[C@]2([H])[C@@H](CO)O[C@@H](O[C@H](CCC)CCCCCCCCCCCCCCCCOC[C@@H](OC(C)=O)C(O)=O)[C@]([H])(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O)[C@H]2O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Compound: mucronulatol
SMILES: COc1ccc([C@H]2COc3cc(O)ccc3C2)c(OC)c1O
Compound: Agminoside C
SMILES: [H][C@@]1(O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]1O[C@@]1([H])[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]1([H])[C@@H](COC(C)=O)O[C@@H](O[C@]2([H])[C@@H](CO)O[C@@H](O[C@H](CCC)CCCCCCCCCCCCCCCCOC[C@@H](O)C(O)=O)[C@]([H])(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]2O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Compound: Agminoside D
SMILES: [H][C@@]1(O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]1O[C@@]1([H])[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]1([H])[C@@H](COC(C)=O)O[C@@H](O[C@]2([H])[C@@H](CO)O[C@@H](O[C@H](CCC)CCCCCCCCCCCCCCCCOC[C@@H](O)C(O)=O)[C@]([H])(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O)[C@H]2O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Compound: Agminoside E
SMILES: [H][C@@]1(O[C@@H]2O[C@H](COC(C)=O)[C@@]([H])(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3([H])O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](CO)O[C@@H](O[C@H](CCC)CCCCCCCCCCCCCCCCOC[C@@H](OC(C)=O)C(O)=O)[C@]([H])(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1O
Compound: robustaside E
SMILES: OC1CC(=O)C(O)(C=C1)\C=C\C(=O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: robustaside F
SMILES: COc1ccc(O)c(\C=C/C(=O)OC[C@H]2O[C@@H](Oc3ccc(O)cc3)[C@H](OC(=O)\C=C/c3cc(OC)ccc3O)[C@@H](O)[C@@H]2O)c1
Compound: robustaside G
SMILES: O[C@@H]1[C@@H](COC(=O)\C=C\C2(O)C=CC(=O)C=C2)O[C@@H](Oc2ccc(O)cc2)[C@H](OC(=O)\C=C\C2(O)C=CC(=O)C=C2)[C@H]1O
Compound: robustaside D
SMILES: O[C@@H]1[C@@H](COC(=O)\C=C\C2(O)C=CC(=O)C=C2)O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@H]1O
Compound: quercetin-7-O-[alpha-L-rhamnopyranosyl(1->6)-beta-D-galactopyranoside]
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(-c3ccc(O)c(O)c3)c(O)c4=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: Monocerin
SMILES: [H][C@@]12C[C@H](CCC)O[C@]1([H])c1cc(OC)c(OC)c(O)c1C(=O)O2
Compound: (2S,3aR,9bR)-6,7-dihydroxy-8-methoxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c]isochromen-5(9bH)-one
SMILES: [H][C@@]12C[C@H](CCC)O[C@]1([H])c1cc(OC)c(O)c(O)c1C(=O)O2
Compound: Fusarentin 6,7-dimethyl ether
SMILES: CCC[C@H](O)C[C@@H]1Cc2cc(OC)c(OC)c(O)c2C(=O)O1
Compound: Fusarentin 6-methyl ether
SMILES: CCC[C@H](O)C[C@@H]1Cc2cc(OC)c(O)c(O)c2C(=O)O1
Compound: (3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
SMILES: CCC[C@@H](O)C[C@H]1OC(=O)c2c(O)c(OC)c(OC)cc2[C@H]1O
Compound: Colletotrialide, (+)-
SMILES: CCCC(=O)CC[C@H]1OC(=O)c2c(O)c(OC)c(OC)cc12
Compound: (3R)-Dunnione, (rel)-
SMILES: C[C@H]1OC2=C(C(=O)C(=O)c3ccccc23)C1(C)C
Compound: (3R)-alpha-dunnione
SMILES: C[C@H]1OC2=C(C(=O)c3ccccc3C2=O)C1(C)C
Compound: (3R)-7-hydroxy-alpha-dunnione
SMILES: C[C@H]1OC2=C(C(=O)c3ccc(O)cc3C2=O)C1(C)C
Compound: (3R)-7-methoxy-alpha-dunnione, (-)-
SMILES: COc1ccc2C(=O)C3C(O[C@H](C)C3(C)C)C(=O)c2c1
Compound: (3R)-6-hydroxy-7-methoxy-alpha-dunnione, (-)-
SMILES: COc1cc2C(=O)C3=C(C(=O)c2cc1O)C(C)(C)[C@@H](C)O3
Compound: (+)-(S)-ar-turmerone
SMILES: C[C@@H](CC(=O)C=C(C)C)c1ccc(C)cc1
Compound: Mukaadial
SMILES: CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](O)C=C(C=O)[C@]2(O)C=O
Compound: (+)-(S)-dihydro-ar-turmerone
SMILES: CC(C)CC(=O)C[C@H](C)c1ccc(C)cc1
Compound: Malyngamide 2
SMILES: CCCCCCC[C@@H](C\C=C\CCC(=O)NC\C(=C\Cl)[C@@H]1C(=O)[C@H](O)C[C@@H](O)[C@]1(C)O)OC
Compound: Majusculamide A/B
SMILES: CCCCCCCC(=O)C(C)C(=O)N(C)[C@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@@H](C(C)C)C(N)=O
Compound: Wewakazole
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2nc(oc2C)[C@@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)c2coc1n2)C(C)C
Compound: eutypoid B
SMILES: Oc1ccc(CC2=C(C(=O)OC2)c2ccc(O)cc2)cc1
Compound: eutypoid C
SMILES: Oc1ccc(cc1)C1=C(Cc2ccc(O)c(O)c2)COC1=O
Compound: eutypoid D
SMILES: Oc1ccc(CC2=C(C(=O)OC2)c2cc(O)cc(O)c2)cc1
Compound: eutypoid E
SMILES: Oc1cc(O)cc(c1)C1=C(Cc2ccc(O)c(O)c2)COC1=O
Compound: fellutanine
SMILES: O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]1Cc1c[nH]c2ccccc12
Compound: Narciclasine
SMILES: [H][C@@]12NC(=O)c3c(O)c4OCOc4cc3C1=C[C@H](O)[C@@H](O)[C@H]2O
Compound: mulberrofuran A
SMILES: COc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1C\C=C(/C)CCC=C(C)C
Compound: Pitiprolamide
SMILES: CCC[C@H]1OC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](OC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)C1(C)C)C(C)C)C(C)C)[C@H](C)Cc1ccccc1
Compound: Chlorajapolide A, (rel)-
SMILES: [H][C@]12C[C@]3(C)C([C@@H](O)C1=C(C)C(=O)O2)=C(C=O)[C@@]1([H])C[C@@]31[H]
Compound: Chlorajapolide B, (rel)-
SMILES: [H][C@]12C[C@]3(C)C4=C([C@@H](O)O[C@@]4([H])C1=C(C)C(=O)O2)[C@@]1([H])C[C@@]31[H]
Compound: Chlorajapolide C, (rel)-
SMILES: [H][C@]12C[C@]3(C)C(CC1=C(C)C(=O)O2)=C(CO)[C@@]1([H])C[C@@]31[H]
Compound: Chlorajapolide D, (rel)-
SMILES: [H][C@]12C[C@@]3(C)[C@]4([H])C[C@]4([H])[C@](O)(CO)[C@]3([H])CC1=C(C)C(=O)O2
Compound: Chlorajapolide E, (rel)-
SMILES: [H][C@]12C[C@@]1([H])[C@]1(C)[C@H](O)[C@]3(OC)OC(=O)C(CO)=C3C[C@@]1([H])[C@@H]2COC(C)=O
Compound: Chlorajaposide, (rel)-
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@]12C[C@]3(C)[C@@]([H])(CC1=C(C)C(=O)O2)C(=C)[C@@]1([H])C[C@@]31[H]
Compound: Chlorajaponol, (rel)-
SMILES: [H][C@]12C[C@@]1([H])[C@]1(C)[C@@H](O)C(=O)\C(=C(\C)C(=O)OC)[C@@]3([H])C1=C2C[C@@]1([H])[C@]2(C)C(CC4=C(COC(=O)CCC(=O)OC)C(=O)O[C@]314)[C@](O)(COC(=O)C(\C)=C\C)[C@@]1([H])C[C@@]21[H]
Compound: Chloraeudolide, (rel)-
SMILES: [H][C@@]12CC3=C(C)C(=O)O[C@@]3(O)C[C@@]1(C)[C@H](O)CC[C@@]2(C)O
Compound: Militarinone E, (rel)-
SMILES: CC[C@@H](C)C[C@@H](C)\C=C(C)\C=C\C=C\C(=O)c1c(O)c(cn(O)c1=O)C1=CC[C@@H](O)CC1
Compound: mulberrofuran C
SMILES: CC1=C[C@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1
Compound: Militarinone F, (rel)-
SMILES: CC[C@@H](C)C[C@@H](C)\C=C(C)\C=C\C=C\C(=O)c1c(O)c(cn(O)c1=O)C12CCC(CC1)O2
Compound: Farylhydrazone A
SMILES: C\C(=N/Nc1ccccc1C(O)=O)C(=O)NCC(O)=O
Compound: Farylhydrazone B
SMILES: C\C(=N/Nc1ccccc1C(O)=O)C(O)=O
Compound: militarinone B
SMILES: CC[C@@H](C)C[C@@H](C)\C=C(C)\C=C\C=C\C(O)=C1/C(=O)NC(C(O)c2ccc(O)cc2)C1=O
Compound: Tuberatolide A
SMILES: CC(=O)CC\C=C(/C)C[C@H]1OC(=O)C(CCC=C(C)C)=C1
Compound: Tuberatolide B
SMILES: CC(C)=CCCC1=C[C@@H](C\C(C)=C\CC[C@]2(C)Oc3c(C)cc(O)cc3C=C2)OC1=O
Compound: 2'-epi-tuberatolide B
SMILES: CC(C)=CCCC1=C[C@@H](C\C(C)=C\CC[C@@]2(C)Oc3c(C)cc(O)cc3C=C2)OC1=O
Compound: Yezoquinolide
SMILES: CC(C)=CCCC1=C[C@@H](C\C(C)=C\CC\C(C)=C\CC2=CC(=O)C=C(C)C2=O)OC1=O
Compound: (R)-Sargachromenol
SMILES: CC(C)=CCC\C(=C/CC\C(C)=C\CC[C@@]1(C)Oc2c(C)cc(O)cc2C=C1)C(O)=O
Compound: (S)-Sargachromenol
SMILES: CC(C)=CCC\C(=C/CC\C(C)=C\CC[C@]1(C)Oc2c(C)cc(O)cc2C=C1)C(O)=O
Compound: (3S,4R)-4' hydroxy-6,3' dimethoxyisoflavan-4-ol
SMILES: COc1ccc2OC[C@@H]([C@@H](O)c2c1)c1ccc(O)c(OC)c1
Compound: 2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone
SMILES: COc1cc2C[C@@H](CO)[C@H](CO)C(=O)c2cc1O
Compound: (7R)-7-hydroxytaxiresinol
SMILES: COc1cc(ccc1O)[C@H](O)[C@H]1CO[C@@H]([C@H]1CO)c1ccc(O)c(O)c1
Compound: isotaxiresinol
SMILES: COc1cc2C[C@@H](CO)[C@H](CO)[C@@H](c3ccc(O)c(O)c3)c2cc1O
Compound: (7R)-7-hydroxylariciresinol
SMILES: COc1cc(ccc1O)[C@H](O)[C@H]1CO[C@@H]([C@H]1CO)c1ccc(O)c(OC)c1
Compound: tanegool
SMILES: COc1cc(ccc1O)[C@@H](O)[C@@H]1CO[C@@H]([C@H]1CO)c1ccc(O)c(OC)c1
Compound: taxiresinol
SMILES: COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c2ccc(O)c(O)c2)ccc1O
Compound: (7S,8S)-methoxy-3',7-epoxy-8,4'-oxyneolignan-4,9,9'-triol
SMILES: COc1cc(ccc1O)[C@@H]1Oc2cc(CCCO)ccc2O[C@H]1CO
Compound: alpha-Conidendrin
SMILES: [H][C@]12COC(=O)[C@]1([H])Cc1cc(OC)c(O)cc1[C@@H]2c1ccc(O)c(OC)c1
Compound: multifidol
SMILES: CC[C@H](C)C(=O)c1c(O)cc(O)cc1O
Compound: 8-C-alpha-L-arabinopyranosyl-7-O-beta-D-glucopyranosylnaringenin
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 6-C-[2'-O-alpha-L-rhamnopyranosyl-(1''->2')]-alpha-L-arabinopyranosylluteolin
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2c2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Compound: 6-C-[2-O-alpha-L-rhamnopyranosyl-(1''->2')]-beta-D-xylopyranosylluteolin
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2c2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Compound: 2''-O-alpha-L-rhamnosylisoorietin
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Compound: 2''-O-rhamnosylscoparin
SMILES: COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c2o1
Compound: cassiaoccidentalin B
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H](C)[C@H](O)C2=O)c2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Compound: maysin
SMILES: C[C@H]1O[C@H](O[C@H]2[C@H](O)C(=O)[C@H](C)O[C@@H]2c2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O
Compound: Tunicyclin B
SMILES: CC(C)C[C@@H]1NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC1=O)C(C)C)=C\c1c[nH]c2ccccc12
Compound: Tunicyclin C
SMILES: CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC1=O)[C@@H](C)O
Compound: Tunicyclin D
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(C)C
Compound: Multiflorine
SMILES: O=C1C[C@@H]2[C@@H]3C[C@@H](CN2C=C1)[C@@H]1CCCCN1C3
Compound: Psammosilenin B
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C1=O)C(C)C)[C@@H](C)O
Compound: dichotomide III
SMILES: COC(=O)\C=C\NC(=O)c1cc2c3ccccc3[nH]c2c(n1)C(C)=O
Compound: dichotomide IV
SMILES: COC(=O)\C=C\NC(=O)c1cc2c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3[nH]c2c(n1)C(C)=O
Compound: dichotomide V
SMILES: COC(=O)\C=C/NC(=O)c1cc2c3cccc(O)c3[nH]c2c(n1)C(C)=O
Compound: dichotomide VI
SMILES: CC(=O)c1nc(cc2c3cccc(O)c3[nH]c12)C(N)=O
Compound: Dichotomide VII
SMILES: CC(=O)c1nc(cc2c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3[nH]c12)C(N)=O
Compound: Dichotomide VIII
SMILES: CC(=O)c1nc(C(N)=O)c(O)c2c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3[nH]c12
Compound: Dichotomide IX
SMILES: CC(=O)c1nc(C(N)=O)c(O)c2c3ccccc3[nH]c12
Compound: Dichotomide X
SMILES: COC(=O)\C=C/NC(=O)c1cc2c3ccccc3[nH]c2c(n1)[C@H](C)OC(=O)C(\C)=C/C
Compound: Dichotomide XI
SMILES: COC(=O)CC(O)N(C)C(=O)c1cc2c3ccccc3[nH]c2c(n1)C(C)=O