MonarchInit/C3PO huggingface dataset:
Compound: 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]2Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[C@H](O)[C@H]1O
Compound: 2-methoxy-1,4-naphthoquinone
SMILES: COC1=CC(=O)c2ccccc2C1=O
Compound: rubiarbonol A
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
Compound: rubiarbonol F
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)[C@H](O)C[C@]4(C)C3=CC[C@]21C
Compound: rubiarbonone A
SMILES: CC(C)[C@@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]21C
Compound: rubiarbonone B
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]21C
Compound: rubiarbonone C
SMILES: CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(COC(C)=O)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]21C
Compound: 4-epihederagenin
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Compound: spathodic acid
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O
Compound: lanosta-9(11),24-dien-3-one
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Compound: rubianthraquinone
SMILES: COc1c(C)c(O)cc2C(=O)c3cc(O)ccc3C(=O)c12
Compound: 1,6-dihydroxy-2-methyl-9,10-anthraquinone
SMILES: Cc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1O
Compound: rubiadin
SMILES: Cc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O
Compound: 1-hydroxy-2-methyl-9,10-anthraquinone
SMILES: Cc1ccc2C(=O)c3ccccc3C(=O)c2c1O
Compound: 2-carbomethoxy-9,10-anthraquinone
SMILES: COC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Compound: 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-glucopyranoside
SMILES: CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[C@H](O)[C@H]1O
Compound: 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
SMILES: CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Compound: 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(3'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc4C(=O)c5cc(O)ccc5C(=O)c4c(O)c3C)O[C@H](CO)[C@@H](O)[C@@H]2OC(C)=O)[C@H](O)[C@H](O)[C@H]1O
Compound: Mitotane
SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
Compound: (2S,3S,4R,9E)-1,3,4-trihydroxyl-2-[(2'R)-2'-hydroxytetracosanoylamino]-9-octadecene
SMILES: CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCC\C=C\CCCCCCCC
Compound: 5,7,2'-trihydroxy-6-methoxyflavone
SMILES: COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1O
Compound: (+)-isolariciresinol
SMILES: COc1cc(ccc1O)[C@@H]1[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)cc12
Compound: vladinol D
SMILES: COc1cc(ccc1O)[C@H]1OC[C@@H]([C@@H]1CO)C(=O)c1ccc(O)c(OC)c1
Compound: 6-cis-Docosenamide
SMILES: CCCCCCCCCCCCCCC\C=C/CCCCC(N)=O
Compound: egonol-9(Z),12(Z)linoleate
SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1
Compound: 7-demethoxyegonol-9(Z),12(Z)linoleate
SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1
Compound: egonol oleate
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1
Compound: 7-demethoxyegonol oleate
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1
Compound: egonol-2'''-methyl butanoate
SMILES: CC[C@H](C)C(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1
Compound: 7-demethoxylegonol-2-methylbutanoate
SMILES: CC[C@H](C)C(=O)OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1
Compound: 7-demethoxylegonol acetate
SMILES: CC(=O)OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1
Compound: egonolpropanoate
SMILES: CCC(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1
Compound: egonol-2-methylpropanoate
SMILES: COc1cc(CCCOC(=O)C(C)C)cc2cc(oc12)-c1ccc2OCOc2c1
Compound: egonolbutanoate
SMILES: CCCC(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1
Compound: egonol acetate
SMILES: COc1cc(CCCOC(C)=O)cc2cc(oc12)-c1ccc2OCOc2c1
Compound: 7-demethoxyegonol
SMILES: OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1
Compound: egonol
SMILES: COc1cc(CCCO)cc2cc(oc12)-c1ccc2OCOc2c1
Compound: lobophytumin A
SMILES: CC(CC(=O)C=C(C)C)[C@H]1CCC(C)=CCCC(=C)\C=C\1
Compound: Mitragynine
SMILES: CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Compound: lobophytumin B
SMILES: CC(C)CC(=O)CC(C)[C@H]1CCC(C)=CCCC(=C)\C=C\1
Compound: lobophytumin C
SMILES: CC(C)=CCCC(=C)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1
Compound: lobophytumin D
SMILES: CC(C)=CCCC(=C)[C@H]1CC[C@@]2(C)CCC=C(C)[C@@H]2C1
Compound: lobophytumin E
SMILES: CC(CC(=O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CCC(=C)[C@@H]3[C@@H]12
Compound: lobophytumin F
SMILES: CC(C)CC(=O)CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CCC(=C)[C@@H]3[C@@H]12
Compound: Yuanhuadine
SMILES: [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@@]4(O[C@]([H])([C@]21[H])[C@@](O4)([C@H](OC(C)=O)[C@H]3C)C(C)=C)\C=C\C=C\CCCCC
Compound: (-)-(R)-4''-Hydroxyyashabushiketol
SMILES: O[C@H](CCc1ccccc1)CC(=O)\C=C\c1ccc(O)cc1
Compound: (3S,5S)-Alpinikatin
SMILES: O[C@@H](CCc1ccc(O)cc1)C[C@H](O)\C=C\c1ccccc1
Compound: Katsumain C
SMILES: COc1cc(O)c([C@H](\C=C\C[C@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1
Compound: 7-epi-Katsumain C
SMILES: COc1cc(O)c([C@@H](\C=C\C[C@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1
Compound: Mitraphylline
SMILES: COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(=O)Nc1ccccc41
Compound: ent-Alpinnanin B
SMILES: COc1cc(O)c([C@H](\C=C\C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1
Compound: ent-Alpinnanin A
SMILES: COc1cc(O)c([C@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1
Compound: Alpinnanin B
SMILES: COc1cc(O)c([C@@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1
Compound: ent-Calyxin H
SMILES: COc1cc(O)c([C@H](\C=C\C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Compound: epi-Calyxin H
SMILES: COc1cc(O)c([C@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Compound: Calyxin H
SMILES: COc1cc(O)c([C@@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Compound: 23-Deoxypaeonenoide A, (rel)-
SMILES: [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@@](C)(O)[C@@H](O)CC[C@]3(C)[C@@]21[H]
Compound: 3beta,23-dihydroxy-30-nor-olean-12,20-dien-28-oic acid
SMILES: [H][C@@]12CC(C)=CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
Compound: 3beta,4beta,23-trihydroxy-24-nor-olean-12-en-28-oic acid
SMILES: [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](O)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
Compound: hederagenin
SMILES: [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
Compound: Mivacurium
SMILES: COc1cc2CC[N+](C)(CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]3(C)CCc4cc(OC)c(OC)cc4[C@H]3Cc3cc(OC)c(OC)c(OC)c3)[C@H](Cc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Compound: 23-Hydroxybetulinic acid
SMILES: [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C(C)=C)[C@]21[H])C(O)=O
Compound: Paeonol
SMILES: COc1ccc(C(C)=O)c(O)c1
Compound: Benzoylpaeoniflorin
SMILES: [H][C@]1(O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@@]12C[C@@]3([H])[C@@]4(O)C[C@]1(C)O[C@]([H])(O4)[C@@]23COC(=O)c1ccccc1
Compound: Palbinone
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(C=CC4=C(O)C(=O)C(=O)[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C
Compound: 3beta,4beta,23-trihydroxy-24,30-dinor-olean-12,20(29)-dien-28-oic acid
SMILES: [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](O)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
Compound: Paeonenoide A
SMILES: [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@](O)(CO)[C@@H](O)CC[C@]3(C)[C@@]21[H]
Compound: Paeonenoide C
SMILES: [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(O)[C@]3([H])CC[C@@]12C)C(O)=O
Compound: Akebonic acid
SMILES: [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
Compound: 30-nor-Hederagenin
SMILES: [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
Compound: Mivacurium chloride
SMILES: [C@@]1(C2=C(C=C(OC)C(=C2)OC)CC[N+]1(CCCOC(CC/C=C/CCC(OCCC[N+]3([C@@](C4=C(C=C(OC)C(=C4)OC)CC3)(CC=5C=C(C(OC)=C(C5)OC)OC)[H])C)=O)=O)C)(CC6=CC(=C(OC)C(=C6)OC)OC)[H].[Cl-].[Cl-]
Compound: 11alpha,12alpha-epoxy-3beta,23-dihydroxy-30-nor-olean-20(29)-en-28,13beta-olide
SMILES: [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@](C)(CO)[C@@H](O)CC[C@]3(C)[C@@]21[H]
Compound: Lawsonicin
SMILES: COc1cc2O[C@@H]([C@@H](CO)c2cc1O)c1ccc(CCCO)c(OC)c1
Compound: Marinacarboline A
SMILES: COc1ccc(CCNC(=O)c2cc3c4ccccc4[nH]c3c(n2)C(C)=O)cc1
Compound: marinacarboline B
SMILES: CC(=O)c1nc(cc2c3ccccc3[nH]c12)C(=O)NCCc1ccc(O)cc1
Compound: Marinacarboline C
SMILES: CC(=O)c1nc(cc2c3ccccc3[nH]c12)C(=O)NCCc1ccccc1
Compound: Marinacarboline D
SMILES: CC(=O)c1nc(cc2c3ccccc3[nH]c12)C(=O)NCCc1c[nH]c2ccccc12
Compound: 13-N-demethyl-methylpendolmycin
SMILES: [H][C@]1(Nc2ccc(c3[nH]cc(C[C@@H](CO)NC1=O)c23)C(C)(C)C=C)[C@@H](C)CC
Compound: Methylpendolmycin-14-O-alpha-glucoside
SMILES: [H][C@@]1([C@@H](C)CC)N(C)c2ccc(c3[nH]cc(C[C@@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)NC1=O)c23)C(C)(C)C=C
Compound: 1-Acetyl-beta-carboline
SMILES: CC(=O)c1nccc2c3ccccc3[nH]c12
Compound: Methylpendolmycin
SMILES: [H][C@@]1([C@@H](C)CC)N(C)c2ccc(c3[nH]cc(C[C@@H](CO)NC1=O)c23)C(C)(C)C=C
Compound: Moexipril
SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(O)=O
Compound: Pendolmycin
SMILES: CC(C)[C@@H]1N(C)c2ccc(c3[nH]cc(C[C@@H](CO)NC1=O)c23)C(C)(C)C=C
Compound: clethroidoside A
SMILES: CC1(C)CC[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Compound: clethroidoside B
SMILES: CC(=O)OC[C@@]12[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1CC(C)(C)[C@@H](O)[C@@H]2O
Compound: clethroidoside C
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@]46OC[C@@]7(CCC(C)(C)C[C@@H]47)C(=O)C[C@@]56C)C3(C)C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: clethroidoside D
SMILES: CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1
Compound: clethroidoside E
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@]46OC[C@@]7(CCC(C)(C)C[C@@H]47)[C@H](O)C[C@@]56C)C3(C)C)[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: clethroidoside F
SMILES: CC(=O)O[C@H]1[C@H](OC(C)=O)C(C)(C)C[C@@H]2[C@]11CO[C@@]22CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)C[C@H]1O
Compound: clethroidoside G
SMILES: CC1(C)CC[C@]2(C=O)[C@H](O)C[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]4OC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]2CC[C@@]31C
Compound: clethroidoside H
SMILES: C[C@H]1[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: candidoside
SMILES: CC1(C)CC[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Compound: Moexipril hydrochloride
SMILES: C12=C(C[C@@H](C(O)=O)N(C1)C([C@@H](N[C@@H](CCC=3C=CC=CC3)C(OCC)=O)C)=O)C=C(OC)C(=C2)OC.Cl
Compound: lysikokianoside 1
SMILES: CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1
Compound: ardisimamiloside E
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@]46OC[C@@]7(CC[C@@](C)(CO)C[C@@H]47)[C@H](O)C[C@@]56C)C3(C)C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: Trichodepsipeptide A
SMILES: CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)OC(=O)[C@@H](OC(=O)[C@H](CO)NC1=O)C(C)C
Compound: Trichodepsipeptide B
SMILES: CC(C)C[C@@H]1OC(=O)[C@@H](OC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)C(C)C)C(C)C
Compound: Trichothosporon A, (rel)-
SMILES: [H][C@]12O[C@@]1(C(O)\C=C(C)\C=C\C=C(/C)CCC=C(C)C)C(=O)[C@H](O)O[C@H]2C(=O)OC
Compound: Trichothecene analogue
SMILES: [H][C@@]12C[C@@H](OC(=O)\C=C/C)[C@@]3(C)[C@]1(O)CO[C@@]1([H])[C@H](O)C(C)=C[C@@]([H])(O2)[C@@]31C
Compound: Guangomide A
SMILES: CC(C)C[C@@H]1OC(=O)[C@H](C)NC(=O)[C@@H](OC(=O)[C@H](C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)N(C)C1=O)C(C)(C)O
Compound: Roseotoxin S
SMILES: CC[C@H](C)[C@@H]1NC(=O)C(OC(=O)[C@H](C)NC(=O)[C@H](NC(=O)C(OC1=O)C(C)C)[C@@H](C)O)C(C)C
Compound: Crotocin
SMILES: [H][C@@]12C[C@@H](OC(=O)\C=C/C)[C@@](C)([C@]11CO1)[C@]1(C)[C@]([H])(O2)C=C(C)[C@]2([H])O[C@]12[H]
Compound: Molephantin
SMILES: CC(=C)C(=O)O[C@H]1C\C(C)=C\C(=O)\C=C(C)/[C@H](O)[C@H]2OC(=O)C(=C)[C@H]12
Compound: Trichothecinol B
SMILES: [H][C@]12C[C@@H](OC(=O)\C=C/C)[C@](C)([C@@]3(C)C[C@H](O)C(C)=C[C@@]3([H])O1)[C@]21CO1
Compound: trichothecin
SMILES: [H][C@@]12C[C@@H](OC(=O)\C=C/C)[C@@](C)([C@]11CO1)[C@@]1(C)CC(=O)C(C)=C[C@@]1([H])O2
Compound: Hypocrellol A
SMILES: [H][C@@]1(CC[C@@H](OC1)C(C)(C)O)[C@@]1([H])CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
Compound: Hypocrellol B
SMILES: [H][C@@]1(CC[C@@H](OC1)C(C)(C)O)[C@@]1([H])CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O
Compound: Hypocrellol C
SMILES: [H][C@@]1(CC[C@@H](OC1)C(C)(C)O)[C@@]1([H])CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Compound: Hypocrellol D
SMILES: [H][C@@]1(CC[C@@H](OC1)C(C)(C)O)[C@@]1([H])CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@]1([H])CC3
Compound: Hypocrellol E
SMILES: [H][C@@]1(CC[C@@H](OC1)C(C)(C)O)[C@@]1([H])CC[C@@]2(C)C3=C(C=C[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@]1([H])CC3
Compound: Hypocrellol F, (rel)-
SMILES: [H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)[C@@H](CC[C@H]1O[C@@]1(C)CO)COC(C)=O
Compound: Hypocrellol G, (rel)-
SMILES: [H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@@H](CC[C@H]1O[C@@]1(C)CO)COC(C)=O
Compound: 7beta,15alpha-dihydroxy-22(29)-hopene
SMILES: CC(=C)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@H](O)[C@@]12C
Compound: Molephantinin
SMILES: C\C=C(/C)C(=O)O[C@H]1C\C(C)=C\C(=O)\C=C(C)/[C@H](O)[C@H]2OC(=O)C(=C)[C@H]12
Compound: 3beta,7beta-dihydroxy-22(29)-hopene
SMILES: CC(=C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H](O)[C@@]12C
Compound: 3beta-acetoxy-15alpha-hydroxy-22(29)-hopene
SMILES: CC(=C)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]12C
Compound: 3beta,7beta,15alpha,22-tetrahydroxyhopane
SMILES: CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H](O)[C@@]12C
Compound: 3beta-acetoxy-7beta,15alpha,22-trihydroxyhopane
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H]([C@@H]4C[C@H](O)[C@@]32C)C(C)(C)O)C1(C)C
Compound: 7beta,15alpha,22-trihydroxyhopane
SMILES: CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@H](O)[C@@]12C
Compound: 3beta,15alpha,22-trihydroxyhopane
SMILES: CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]12C
Compound: 3beta-acetoxy-15alpha,22-dihydroxyhopane
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H]([C@@H]4C[C@H](O)[C@@]32C)C(C)(C)O)C1(C)C
Compound: dustanin
SMILES: CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C
Compound: Loniphenyruviridoside A, (rel)-
SMILES: [H][C@@]12C[C@@]([H])(OC=C1c1ccccc1)[C@@]1([H])[C@@H](OC=C(C(O)=O)[C@@]1([H])C2)O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Loniphenyruviridoside B, (rel)-
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C2C(=O)O[C@H](C[C@@]2([H])[C@H]1C=C)C(\c1ccccc1)=C(\O)C(O)=O
Compound: molinate
SMILES: C1CN(C(SCC)=O)CCCC1
Compound: Loniphenyruviridoside C
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C2C(=O)O[C@@H](C[C@]2([H])[C@H]1C=C)C(\c1ccccc1)=C(\O)C(O)=O
Compound: Loniphenyruviridoside D
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C([C@@H](C[C@@]2([H])OC(=O)C(O)=C2c2ccccc2)[C@H]1C=C)C(O)=O
Compound: Lonijaposide D
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C([C@@H](\C=C\c2cc(c[n+](CCCC(O)=O)c2)C([O-])=O)[C@H]1C=C)C(O)=O
Compound: Lonijaposide E
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C([C@@H](\C=C\c2cc(c[n+](CC)c2)C([O-])=O)[C@H]1C=C)C(=O)OC
Compound: Lonijaposide F
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C([C@@H](\C=C\c2cc(c[n+](CC)c2)C([O-])=O)[C@H]1C=C)C(O)=O
Compound: Lonijaposide G
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C([C@@H](\C=C\c2cc(c[n+](C)c2)C([O-])=O)[C@H]1C=C)C(=O)OC
Compound: Lonijaposide H
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C(C(=O)OC)/C(=C/Cc2cc(c[n+](CCCC(O)=O)c2)C([O-])=O)[C@H]1C=C
Compound: Lonijaposide I
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C([C@@H](\C=C\c2ccc[n+](CCO)c2)[C@H]1C=C)C([O-])=O
Compound: Lonijaposide J
SMILES: [Cl-].[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C([C@@H](\C=C\c2ccc[n+](CCO)c2)[C@H]1C=C)C(=O)OC
Compound: Lonijaposide K
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C([C@@H](\C=C\c2ccc[n+](CC(O)=O)c2)[C@H]1C=C)C([O-])=O
Compound: Molindone
SMILES: CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Compound: Lonijaposide L
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C([C@@H](\C=C\c2ccc[n+](CCC(O)=O)c2)[C@H]1C=C)C([O-])=O
Compound: Lonijaposide M
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C([C@@H](\C=C\c2ccc[n+](CCCC(O)=O)c2)[C@H]1C=C)C([O-])=O
Compound: Lonijaposide N
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C([C@@H](\C=C\c2ccc[n+](CCCC([O-])=O)c2)[C@H]1C=C)C(=O)OC
Compound: 22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one
SMILES: [H][C@@]12C[C@H](C)CN3[C@@]4([H])C[C@@]5([H])[C@]6([H])CCC7=CC(=O)C=C[C@]7(C)C6=CC[C@]5(C)[C@@]4([H])[C@H](C)[C@@]13O2
Compound: 22alpha,23alpha-epoxy-solanida-1,4-dien-3-one, (rel)-
SMILES: [H][C@@]12C[C@H](C)CN3[C@@]4([H])C[C@@]5([H])[C@]6([H])CCC7=CC(=O)C=C[C@]7(C)[C@@]6([H])CC[C@]5(C)[C@@]4([H])[C@H](C)[C@@]13O2
Compound: 3,9beta-hydroxy-22alpha,23alpha-epoxy-9(10)-seco-solanida-1,3,5(10)-triene, (rel)-
SMILES: [H][C@@]12C[C@H](C)CN3[C@@]4([H])C[C@@]5([H])[C@H](CCc6cc(O)ccc6C)[C@@H](O)CC[C@]5(C)[C@@]4([H])[C@H](C)[C@@]13O2
Compound: Caffeic acid ethyl ester
SMILES: CCOC(=O)\C=C\c1ccc(O)c(O)c1
Compound: kaempferol-3-rutinoside
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: Athrolide A
SMILES: [H][C@]12C[C@@H](C)[C@]3([H])[C@H](C[C@@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@]1([H])C(=C)C(=O)O2)OC(=O)C(C)C
Compound: Athrolide B
SMILES: [H][C@]12C[C@@H](C)[C@]3([H])[C@H](C[C@@H](OC(C)=O)[C@@]3(C)[C@H](O)[C@]1([H])C(=C)C(=O)O2)OC(=O)C(C)C
Compound: Molindone hydrochloride
SMILES: C12=C(NC(=C1CC)C)CCC(C2=O)CN3CCOCC3.Cl
Compound: Athrolide C, (rel)-
SMILES: [H][C@]12OC(=O)C(=C)[C@]([H])([C@@H]1OC(=O)CC(C)(C)O)[C@H](OC(=O)C(\C)=C/C)[C@]1(C)C(=O)C=C[C@@]1([H])[C@@H]2C
Compound: Athrolide D, (rel)-
SMILES: [H][C@]12OC(=O)C(=C)[C@]([H])([C@@H]1OC(=O)CC(C)(O)CC)[C@H](OC(=O)C(\C)=C/C)[C@]1(C)C(=O)C=C[C@@]1([H])[C@@H]2C
Compound: Athrolide E
SMILES: [H][C@]12OC(=O)C(=C)[C@]([H])([C@@H]1OC(=O)CC(C)(O)CC)[C@H](OC(=O)\C=C(/C)CC)[C@]1(C)C(=O)C=C[C@@]1([H])[C@@H]2C
Compound: Ligraminol A
SMILES: COc1ccc(cc1OC)[C@H]1O[C@@H]([C@@H](C)[C@H]1C)c1cc(OC)c(OC)c(OC)c1
Compound: Ligraminol B
SMILES: COc1cc(cc(OC)c1O)[C@@H]1O[C@H]([C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1CO)c1cc(OC)c(O)c(OC)c1
Compound: Ligraminol C
SMILES: COc1ccc(cc1OC)[C@@H](OC(C)=O)[C@@H](C)Oc1ccc(cc1OC)\C=C/C
Compound: Ligraminol D
SMILES: COc1ccc(C[C@@H](CO)Oc2ccc(CCCO)cc2OC)cc1OC
Compound: Ligraminol E
SMILES: COc1cc(C[C@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O
Compound: Ganschisandrin
SMILES: COc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@@H]1C)c1ccc(OC)c(OC)c1
Compound: Veraguensin
SMILES: COc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@@H]1C)c1ccc(OC)c(OC)c1
Compound: 5-Methoxygalbelgin
SMILES: COc1ccc(cc1OC)[C@H]1O[C@@H]([C@@H](C)[C@@H]1C)c1cc(OC)c(OC)c(OC)c1
Compound: (7S,8S)-4,7,9,9'-Tetrahydroxy-3,3'-dimethoxy-8-O-4'-neolignan
SMILES: COc1cc(ccc1O)[C@H](O)[C@H](CO)Oc1ccc(CCCO)cc1OC
Compound: (7R,7R)-4,7,9,9'-tetrahydroxy-3,3'-dimethoxy-8-O-4'-neolignan
SMILES: COc1cc(ccc1O)[C@@H](O)[C@@H](CO)Oc1ccc(CCCO)cc1OC
Compound: (7R,8R)-Polysphorin
SMILES: COc1cc(cc(OC)c1O[C@H](C)[C@H](O)c1cc(OC)c(OC)c(OC)c1)\C=C\C
Compound: (-)-(7R,8R)-Virolin
SMILES: COc1ccc(cc1OC)[C@@H](O)[C@@H](C)Oc1ccc(\C=C\C)cc1OC
Compound: Sarmentosumin A
SMILES: Oc1ccccc1Cc1ccc(O)c(Cc2ccc(O)c(Cc3c(O)c(Cc4ccccc4O)c(O)c4C(=O)C[C@H](Oc34)c3ccccc3)c2)c1
Compound: Sarmentosumin B
SMILES: Oc1ccccc1Cc1ccc(O)c(Cc2ccc(O)c(Cc3c(O)c(Cc4ccccc4O)c4O[C@@H](CC(=O)c4c3O)c3ccccc3)c2)c1
Compound: Sarmentosumin C
SMILES: Oc1ccccc1Cc1ccc(O)c(Cc2ccc(O)c(Cc3ccc(O)c(Cc4c(O)c(Cc5ccccc5O)c5O[C@@H](CC(=O)c5c4O)c4ccccc4)c3)c2)c1
Compound: Sarmentosumin D
SMILES: Oc1ccccc1Cc1ccc(O)c(Cc2ccc(O)c(Cc3c(O)c(Cc4cc(Cc5ccccc5O)ccc4O)c4O[C@@H](CC(=O)c4c3O)c3ccccc3)c2)c1
Compound: Isochamanetin
SMILES: Oc1ccccc1Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccccc1
Compound: 7-Methoxychamanetin
SMILES: COc1cc(O)c2C(=O)C[C@H](Oc2c1Cc1ccccc1O)c1ccccc1
Compound: Dichamanetin
SMILES: Oc1ccccc1Cc1c(O)c(Cc2ccccc2O)c2O[C@@H](CC(=O)c2c1O)c1ccccc1
Compound: 7-Methoxydichamanetin
SMILES: COc1c(Cc2ccccc2O)c(O)c2C(=O)C[C@H](Oc2c1Cc1ccccc1O)c1ccccc1
Compound: 5''-(2''''-Hydroxybenzyl)uvarinol
SMILES: COc1c(Cc2cc(Cc3ccccc3O)ccc2O)c(O)c2C(=O)C[C@H](Oc2c1Cc1cc(Cc2ccccc2O)ccc1O)c1ccccc1
Compound: pipercallosine
SMILES: C(/C=C/C=C/CCCCC1=CC=C2C(=C1)OCO2)(=O)NCC(C)C
Compound: pellitorine
SMILES: CCCCC\C=C\C=C\C(=O)NCC(C)C
Compound: 2,4-Dodecadienamide
SMILES: CCCCCCC\C=C\C=C\C(N)=O
Compound: pipercallosidine
SMILES: C(/C=C/CCCCC=1C=C2C(=CC1)OCO2)(NCC(C)C)=O
Compound: 7-Methoxyisochamanetin
SMILES: COc1cc2O[C@@H](CC(=O)c2c(O)c1Cc1ccccc1O)c1ccccc1
Compound: Salvadione C
SMILES: [H][C@@]12CC[C@@]34CC(C=C)=C[C@]5([H])[C@@]6([H])[C@](C)(O)CO[C@]7(O[C@@]1(CCCC2(C)C)C[C@@]357)C(=O)[C@@]6(C(C)C)C4=O
Compound: Perovskone B
SMILES: [H][C@]12C[C@@]3([H])C(C)(C)OC4=C(C(C)C)C(=O)[C@@]5(CC[C@]6([H])C(C)(C)CCC[C@@]66C[C@@]15[C@@]34O6)C(=O)C=C2C
Compound: (Z)-9-hydroxybenzo[c]oxepin-3(1H)-one
SMILES: Oc1cccc2C=CC(=O)OCc12
Compound: Cyclosordariolone, (rac)-
SMILES: CC1(O)C(=O)C=Cc2c(CO)c(O)ccc12
Compound: (R)-3-Hydroxy-1-[(R)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one
SMILES: C[C@@H](O)C(=O)C[C@H]1OCc2c(O)cccc12
Compound: (R)-3-Hydroxy-1-[(S)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one
SMILES: C[C@@H](O)C(=O)C[C@@H]1OCc2c(O)cccc12
Compound: (E)-2-(Hydroxymethyl)-3-(4-hydroxypent-1-enyl)phenol
SMILES: C[C@@H](O)C\C=C\c1cccc(O)c1CO
Compound: 1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)-
SMILES: CC(=O)C1(O)OCc2c(O)cccc2C=C1
Compound: Pestalospirane A
SMILES: C[C@H]1O[C@]2(OCc3c(O)cccc3C=C2)[C@@H](C)O[C@@]11OCc2c(O)cccc2C=C1
Compound: Pestalospirane B
SMILES: C[C@H]1O[C@]2(OCc3c(O)cccc3C=C2)[C@@H](C)O[C@]11OCc2c(O)cccc2C=C1
Compound: mometasone
SMILES: [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Compound: griffithane A
SMILES: COc1cc(CCCc2cc(OC)c(O)cc2OC)ccc1O
Compound: griffithane B
SMILES: COc1cc(CCCc2ccc(OC)c(O)c2OC)ccc1O
Compound: griffithane C
SMILES: COc1ccc(CCCc2cc(O)c(O)cc2OC)cc1OC
Compound: griffithane D
SMILES: C1=C(C(=O)C=C(C1=O)CCCC=2C=C(C(O)=CC2)OC)OC
Compound: 1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane
SMILES: COc1ccc(CCCc2ccc(O)c(OC)c2)c(O)c1
Compound: Nocapyrone E
SMILES: O1C(C(=CC=C1/C(=C/CC)/C)CC)=O
Compound: Nocapyrone F
SMILES: O1C(C(=CC=C1/C(=C/CC)/C)C)=O
Compound: Nocapyrone G
SMILES: O1C(C(=CC=C1/C(=C/[C@@H](O)C)/C)CC)=O
Compound: Nocazine A
SMILES: COc1ccc(cc1)C=c1nc(OC)c(=Cc2ccc(OC)cc2)n(C)c1=O
Compound: Nocazine B
SMILES: COc1ccc(cc1)C=c1c(OC)nc(=Cc2ccccc2)c(=O)n1C
Compound: Nocazine C
SMILES: COc1ccc(cc1)\C=C1/N(C)C(=O)[C@H](Cc2ccccc2)NC1=O
Compound: Nocazoline A
SMILES: OC[C@@H]1COC(=N1)c1ccccc1O
Compound: Euphorbiaproliferin A, (rel)-
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@](C)(C[C@]1(OC(C)=O)[C@H](OC(=O)C(C)C)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O)[C@@H]2OC(C)=O)OC(=O)C(C)C
Compound: Euphorbiaproliferin B, (rel)-
SMILES: [H][C@]12[C@@H](OC(=O)CCC)[C@@](C)(C[C@]1(OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccccc1
Compound: Euphorbiaproliferin C
SMILES: [H][C@]12[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@@]3([C@@H]2OC(C)=O)C(=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O
Compound: Euphorbiaproliferin D
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@@]3([C@@H]2OC(C)=O)C(=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O
Compound: Euphorbiaproliferin E
SMILES: [H][C@@]12C[C@](C)(OC(C)=O)[C@]1([H])[C@@]1([H])[C@@]3(C)OC[C@@]1([C@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@H](C)C[C@]1(O)[C@H]3OC(=O)c1ccccc1)C(=O)[C@@H]2OC(=O)c1ccccc1
Compound: Euphorbiaproliferin F
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O
Compound: Euphorbiaproliferin G
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O
Compound: Euphorbiaproliferin H
SMILES: [H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(=O)c4ccccc4)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O
Compound: monardaein
SMILES: [C@H]1(O[C@H](COC(CC(O)=O)=O)[C@@H](OC(=O)CC(=O)O)[C@H](O)[C@H]1O)OC=2C=3C(C=C(O)C2)=[O+]C(=C(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(/C=C/C5=CC=C(C=C5)O)=O)C3)C6=CC=C(O)C=C6
Compound: Euphorbiaproliferin I
SMILES: [H][C@]12C[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@]5(C[C@H](C)[C@H](OC(=O)CC)[C@]5([H])[C@H]3OC(C)=O)OC(C)=O)[C@]4([H])[C@@]1([H])C2(C)C
Compound: Euphorbiaproliferin J
SMILES: [H][C@]12C[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@]5(C[C@H](C)[C@H](OC(=O)CCC)[C@]5([H])[C@H]3OC(C)=O)OC(C)=O)[C@]4([H])[C@@]1([H])C2(C)C
Compound: 14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-acetate
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@]3([C@H](OC(=O)c4ccccc4)C=C[C@H](C(C)=C)[C@@]13[H])[C@H]2OC(C)=O
Compound: Euphorprolitherin C
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(=O)c4ccccc4)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O
Compound: 14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-nicotinoate
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(=O)c1cccnc1)[C@]1(C)OC[C@]3([C@H](OC(=O)c4ccccc4)C=C[C@H](C(C)=C)[C@@]13[H])[C@H]2OC(C)=O
Compound: Proliferin C
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O)[C@@H]2OC(C)=O
Compound: Proliferin A
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@](C)(C[C@]1(OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O)[C@@H]2OC(C)=O)OC(=O)C(C)C
Compound: Proliferin B
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@](C)(C[C@]1(OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccccc1
Compound: Euphorprolitherin B
SMILES: [H][C@]12[C@@H](OC(=O)CC)[C@@](C)(C[C@]1(OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)OC[C@]3([C@H](OC(C)=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O)[C@@H]2OC(C)=O)OC(C)=O
Compound: Euphorbia substance SPr 5
SMILES: [H][C@]12CC(CO)=C[C@@]3([H])[C@]4([H])C(C)(C)[C@]4(OC(=O)C(C)C)[C@H](OC\C=C/C=C/C=C/CCC)[C@@H](C)[C@]3(O)[C@]1([H])C=C(C)C2=O
Compound: Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate
SMILES: [H][C@]12C[C@@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(=O)c4ccccc4)[C@@]4([H])[C@@H](OC(=O)CC)[C@@H](C)C[C@]4(O)C(=O)[C@@](C)(OC(C)=O)[C@]3([H])[C@@]1([H])C2(C)C
Compound: xylarenone A, (rel)-
SMILES: [H][C@]12O[C@@]1(C(=C)CO)C(=O)C=C1[C@H](O)CC[C@H](C)[C@@]21C
Compound: Xylarenone C, (rel)-
SMILES: [H][C@]12O[C@@]1(C(=C)CO)C(=O)C=C1[C@@H](CC[C@H](C)[C@@]21C)OC(=O)C(C)CC(C)CC(C)CC
Compound: Xylarenone D
SMILES: [H][C@]12O[C@@]1(C(=C)CO)C(=O)C=C1[C@@H](CC[C@H](C)[C@@]21C)OC(=O)C(O)(CO)CC(C)CC(C)CC
Compound: xylarenone E
SMILES: [H][C@]12O[C@@]1(C(=C)CO)C(=O)C=C1[C@@H](CC[C@H](C)[C@@]21C)OC(=O)C(O)(CO)CC(C)CC(C)C(C)O
Compound: N-[2-(4-Hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide
SMILES: CC(C)CC(=O)NCC(=O)c1ccc(O)cc1
Compound: N-[2-(4-Hydroxyphenyl)-2-oxoethyl]butanamide
SMILES: CCCC(=O)NCC(=O)c1ccc(O)cc1
Compound: N-[2-(4-Hydroxyphenyl)-2-oxoethyl]acetamide
SMILES: CC(=O)NCC(=O)c1ccc(O)cc1
Compound: N-[(E)-2-(4-Hydroxyphenyl)ethenyl]-3-methylbutanamide
SMILES: CC(C)CC(=O)N\C=C\c1ccc(O)cc1
Compound: N-[2-(4-Hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide
SMILES: CC(C)CCC(=O)NCC(=O)c1ccc(O)cc1
Compound: N-[2-(4-Hydroxyphenyl)-2-oxoethyl]hexanamide
SMILES: CCCCCC(=O)NCC(=O)c1ccc(O)cc1
Compound: mucusisoflavone A
SMILES: CC1=C[C@H](c2cc(ccc2O)-c2coc3cc(O)cc(O)c3c2=O)[C@@](C)(CC1)\C=C\c1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
Compound: mucusisoflavone B
SMILES: CC(C)=C[C@@H]1C[C@@](C)(Oc2ccc(cc12)-c1coc2cc(O)cc(O)c2c1=O)\C=C\c1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
Compound: mucusisoflavone C
SMILES: CC(C)=CCc1cc(ccc1O)-c1coc2c(C(C=C(C)C)c3cc(ccc3O)-c3coc4cc(O)cc(O)c4c3=O)c(O)cc(O)c2c1=O
Compound: lupeol acetate
SMILES: [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(C)=C)[C@]21[H]
Compound: 3-O-trans-p-coumaroyltormentic acid
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](OC(=O)\C=C\c1ccc(O)cc1)C2(C)C
Compound: alpinumisoflavone
SMILES: CC1(C)Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3c(O)c2C=C1
Compound: isoderrone
SMILES: CC1(C)Oc2ccc(cc2C=C1)-c1coc2cc(O)cc(O)c2c1=O
Compound: isowighteone
SMILES: CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
Compound: isowighteone hydrate
SMILES: [H]O[H].CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
Compound: benjaminamide
SMILES: CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCC\C=C\CCCCC
Compound: mekongensine
SMILES: [H][C@]12OC(=O)[C@](C)(CCc3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(=O)c5ccccc5)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O)OC(C)=O
Compound: 7-epimekongensine, (rel)-
SMILES: [H][C@]12OC(=O)[C@](C)(CCc3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(=O)c5ccccc5)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O)OC(C)=O
Compound: 1-O-benzoyl-1-deacetylmekongensine
SMILES: [H][C@]12OC(=O)[C@](C)(CCc3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(=O)c5ccccc5)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O)OC(C)=O
Compound: 9'-Deacetoxymekongensine
SMILES: [H][C@]12OC(=O)[C@@H](C)CCc3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(=O)c5ccccc5)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O
Compound: 1-O-benzoyl-1-deacetyl-9'-deacetoxymekongensine
SMILES: [H][C@]12OC(=O)[C@@H](C)CCc3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(=O)c5ccccc5)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O
Compound: 7-epi-euojaponine A
SMILES: [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](O)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O
Compound: 2-O-benzoyl-2-deacetylmayteine
SMILES: [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(=O)c1ccccc1)[C@@]2(C)O
Compound: 7-epi-5-O-benzoyl-5-deacetylperitassine A
SMILES: [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(=O)c5ccccc5)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O
Compound: 7-epi-Euonymine
SMILES: [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O
Compound: Mayteine
SMILES: [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O
Compound: 7-epi-mayteine
SMILES: [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O
Compound: Euonymine
SMILES: [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O
Compound: Brachystemin F
SMILES: CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](C)O)C(C)C
Compound: Brachystemin G
SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)[C@@H](C)O
Compound: Brachystemin H
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC1=O
Compound: Brachystemin I
SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)[C@@H](C)O
Compound: rel-Cyclo-(Pro-Pro-Ala-Gly-Leu-Ala-Thr-Phe)
SMILES: CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)C(=O)NC(=O)[C@@H](NC(=O)[C@H](C)C(=O)N1)[C@@H](C)O
Compound: brachystemin C
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)C(=O)N[C@@H](NC(=O)CNC1=O)C(C)C
Compound: brachystemidine C
SMILES: COC1CC(O)C(=O)N1[C@@H]1OCC=C1COC(=O)c1ccc[nH]1
Compound: brachystemidine A
SMILES: COC1CCC(=O)N1[C@H]1OCC(COC(=O)c2ccc[nH]2)=C1
Compound: brachystemidine B
SMILES: COC1CCC(=O)N1[C@@H]1OCC=C1COC(=O)c1ccc[nH]1
Compound: brachystemidine D
SMILES: O[C@H]1CCC(=O)N1[C@@H]1OCC=C1COC(=O)c1ccc[nH]1
Compound: loliolide
SMILES: CC1(C)C[C@H](O)C[C@@]2(C)OC(=O)C=C12
Compound: annuionone D
SMILES: CC(=O)\C=C\[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C
Compound: 7alpha-hydroxylambertianic acid
SMILES: [H][C@@]12C[C@@H](O)C(=C)[C@H](CCc3ccoc3)[C@@]1(C)CCC[C@]2(C)C(O)=O
Compound: chlorajaponilide A
SMILES: [H][C@]12OC(=O)C(C)=C1[C@@]1([H])[C@]3(O)C(=C[C@@]4([H])[C@@]5(C)[C@]6([H])C[C@]6([H])[C@@]6(O)COC(=O)\C=C(C)\COC(=O)CCC(=O)OCC7=C(C[C@]56[H])[C@@]14OC7=O)[C@@]1([H])C[C@@]1([H])[C@]3(C)C2=O
Compound: chlorajaponilide B, (rel)-
SMILES: [H][C@]12C[C@@]1([H])[C@]1(C)C(=O)[C@@]3(O)OC(=O)C(C)=C3[C@@]3([H])[C@]1(O)C2=C[C@@]1([H])[C@@]2(C)[C@]4([H])C[C@]4([H])[C@@]4(O)COC(=O)\C=C(C)\COC(=O)CCC(=O)OCC5=C(C[C@]24[H])[C@@]31OC5=O
Compound: chlorajaponilide C
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@]4([H])C[C@]4([H])[C@@](O)(COC(=O)\C=C(/C)CO)[C@]2([H])CC2=C(COC(=O)CCC(=O)OC)C(=O)O[C@]312
Compound: chlorajaponilide D
SMILES: [H][C@]12C[C@@]1([H])[C@]1(C)C(=O)[C@@]3(OC)OC(=O)C(C)=C3C3=C1[C@]2(O)C[C@@]1([H])[C@@]2(C)[C@]4([H])C[C@]4([H])[C@@]4(O)COC(=O)\C(C)=C\COC(=O)CCC(=O)OCC5=C(C[C@]24[H])[C@@]31OC5=O
Compound: chlorajaponilide E, (rel)-
SMILES: [H][C@]12C[C@@]1([H])[C@@]1(C)[C@@]([H])(CC3=C(CO)C(=O)O[C@@]33C4=C5[C@@](C)([C@@H](O)C(=O)C\4=C(\C)C(=O)OC)[C@]4([H])C[C@]4([H])[C@]5(C[C@@]13[H])OO)[C@]2(O)COC(=O)C(\C)=C\C
Compound: shizukaol A
SMILES: [H][C@@]12C[C@]1([H])[C@@]1(C)[C@@]([H])(CC3=C(C)C(=O)O[C@]33[C@@]1([H])CC1=C4[C@]3([H])\C(C(=O)[C@H](O)[C@@]4(C)[C@]3([H])C[C@]13[H])=C(/C)C(=O)OC)C2=C
Compound: shizukaol B
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@]4([H])C[C@]4([H])[C@@]4(O)COC(=O)\C(C)=C\COC(=O)CCC(=O)OCC5=C(C[C@]24[H])[C@@]31OC5=O
Compound: shizukaol C
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@]4([H])C[C@]4([H])[C@](O)(C\C(C)=C\C(=O)OC)[C@@]2([H])CC2=C(CO)C(=O)O[C@]312
Compound: shizukaol D
SMILES: [H][C@]12C[C@@]1([H])[C@@]1(C)[C@@]([H])(CC3=C(CO)C(=O)O[C@]33[C@@]1([H])CC1=C4[C@]3([H])\C(C(=O)[C@H](O)[C@@]4(C)[C@]3([H])C[C@]13[H])=C(/C)C(=O)OC)[C@@H]2COC(C)=O
Compound: shizukaol F
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@]4([H])C[C@]4([H])[C@@]4(O)COC(=O)\C=C(C)\COC(=O)CCC(=O)OCC5=C(C[C@]24[H])[C@@]31OC5=O
Compound: shizukaol H
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@]4([H])C[C@]4([H])[C@@]4(O)COC(=O)\C=C(C)\COC(=O)[C@@H](O)CC(=O)OCC5=C(C[C@]24[H])[C@@]31OC5=O
Compound: cycloshizukaol A
SMILES: [H][C@]12C[C@@]1([H])[C@]1(C)[C@@H](O)C(=O)C3=CC1=C2C[C@@](C)(C(=O)OC)C1=CC2=C(C[C@@]3(C)C(=O)OC)[C@@]3([H])C[C@@]3([H])[C@]2(C)[C@@H](O)C1=O
Compound: chlorahololide B
SMILES: [H][C@]12C[C@@]1([H])[C@@]1(C)C3CC4=C(COC(=O)CCC(=O)OC\C(C)=C\C(=O)OC[C@]23O)C(=O)O[C@@]42C3=C4[C@](O)(C[C@@]12[H])[C@@]1([H])C[C@@]1([H])[C@]4(C)C(=O)[C@@]1(O)OC(=O)C(C)=C31
Compound: Monochloro-monoglutathionyl melphalan
SMILES: N[C@@H](CCC(=O)N[C@@H](CSCCN(CCCl)c1ccc(CC(N)C(O)=O)cc1)C(=O)NCC(O)=O)C(O)=O
Compound: chloramultilide C
SMILES: [H][C@]12C[C@@]1([H])[C@]1(C)[C@@H](O)[C@@]3(O)OC(=O)C(C)=C3C3=C1[C@]2(O)C[C@@]1([H])[C@@]2(C)[C@]4([H])C[C@]4([H])[C@@]4(O)COC(=O)\C(C)=C\COC(=O)CCC(=O)OCC5=C(C[C@]24[H])[C@@]31OC5=O
Compound: spicachlorantin B
SMILES: [H][C@]12C[C@@]1([H])[C@]1(C)[C@@H](O)[C@@]3(OC)OC(=O)C(C)=C3C3=C1[C@]2(O)C[C@@]1([H])[C@@]2(C)[C@]4([H])C[C@]4([H])[C@@]4(O)COC(=O)\C(C)=C\COC(=O)CCC(=O)OCC5=C(C[C@]24[H])[C@@]31OC5=O
Compound: hebitol II
SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
Compound: Lavaudioside A
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C(C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@]2([H])C[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](C)[C@@]12[H]
Compound: Lavaudioside B
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C(C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@]2([H])C[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)C(=C)[C@@]12[H]
Compound: Lavaudioside C
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C(C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@@]2([H])C[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](C)[C@@]12[H]
Compound: aucubin
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](O)C=C(CO)[C@@]12[H]
Compound: catalpol
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](O)[C@]3([H])O[C@]3(CO)[C@@]12[H]
Compound: verproside
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](OC(=O)c3ccc(O)c(O)c3)[C@]3([H])O[C@]3(CO)[C@@]12[H]
Compound: verminoside
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@]3([H])O[C@]3(CO)[C@@]12[H]
Compound: monocrotaline
SMILES: [H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)[C@](C)(O)[C@@H](C)C(=O)O1)[C@]23[H]
Compound: 6-O-feruloylcatalpol
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](OC(=O)\C=C\c3ccc(O)c(OC)c3)[C@]3([H])O[C@]3(CO)[C@@]12[H]
Compound: minecoside
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](OC(=O)\C=C\c3ccc(OC)c(O)c3)[C@]3([H])O[C@]3(CO)[C@@]12[H]
Compound: 6'-O-Caffeoylcatalpol
SMILES: [H][C@]1(O[C@H](COC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](O)[C@]3([H])O[C@]3(CO)[C@@]12[H]
Compound: 6,6'-Di-O-caffeoylcatalpol
SMILES: [H][C@]1(O[C@H](COC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@]3([H])O[C@]3(CO)[C@@]12[H]
Compound: aragoside
SMILES: [H]C1[C@@H](O)[C@@H](O)CO[C@@]1([H])O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO)[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Helioside A
SMILES: [H]C1[C@@H](O)[C@@H](O)CO[C@@]1([H])O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Helioside B
SMILES: [H]C1[C@@H](O)[C@@H](O)CO[C@@]1([H])O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O[C@]1([H])O[C@H](COC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
Compound: Helioside C
SMILES: [H]C1[C@@H](O)[C@@H](O)CO[C@@]1([H])O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC(=O)\C=C\c2ccc(O)c(OC)c2)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: 14-Deoxy-11,12-didehydroandrographolide
SMILES: [H][C@]12CCC(=C)[C@@H](\C=C\C3=CCOC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
Compound: Chaxamycin A, rel-
SMILES: C[C@H]1\C=C\C=C/C(=O)NC2=C(C)C(=O)c3c(C(=O)\C(C)=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)c(O)c(C)c(O)c3C2=O
Compound: Chaxamycin B, rel-
SMILES: C[C@H]1\C=C\C=C/C(=O)NC2=C(C)C(=O)c3c(cc(C)c(O)c3C(=O)\C(C)=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)C2=O
Compound: Chaxamycin C, rel-
SMILES: C[C@H]1\C=C\C=C/C(=O)NC2=C(C)C(=O)c3c(C(=O)\C(C)=C\[C@H](CO)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)c(O)c(C)c(O)c3C2=O
Compound: Chaxamycin D, rel-
SMILES: C[C@H]1\C=C\C=C/C(=O)NC2=C(C)C(=O)c3c4[C@H](O)[C@](C)(O\C=C\[C@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)Oc4c(C)c(O)c3C2=O
Compound: 2-[4'-(Methylamino)phenyl]quinazolin-4(3H)-one
SMILES: CNc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Compound: isovitexin 8-C-beta-glucoside
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Compound: fischeroside A
SMILES: [H][C@@]12C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)C[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Compound: fischeroside B
SMILES: [H][C@@]12C=C(CO[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)C[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Compound: fischeroside C
SMILES: [H][C@@]12C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](O)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Compound: prostratin
SMILES: [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)C[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Compound: 12-deoxyphorbol-13,20-diacetate
SMILES: [H][C@@]12C=C(COC(C)=O)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)C[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Compound: 12-deoxyphorbol-13-hexadecanoate
SMILES: [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)C[C@]1(OC(=O)CCCCCCCCCCCCCCC)[C@@]2([H])C1(C)C
Compound: 12-deoxyphorbaldehyde-13-hexadecanoate
SMILES: [H][C@@]12C=C(C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)C[C@]1(OC(=O)CCCCCCCCCCCCCCC)[C@@]2([H])C1(C)C)C=O
Compound: langduin A
SMILES: [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)CC(=O)[C@H]2C(C)C
Compound: langduin D
SMILES: [H][C@]12CC[C@]34OC(=O)[C@@](O)([C@@]3([H])[C@]1(C)CCCC2(C)C)C12Oc3cc(OC)c(C(C)=O)c(O)c3C=C1C(=O)O[C@@]42[H]
Compound: ent-13S-hydroxy-16-atisene-3,14-dione
SMILES: [H][C@]12C[C@@]3([H])[C@]4(C)CCC(=O)C(C)(C)[C@@]4([H])CC[C@@]3(CC1=C)C(=O)[C@H]2O
Compound: jolkinolide A
SMILES: [H][C@]12O[C@]11CC[C@]3([H])C(C)(C)CCC[C@@]3(C)[C@]1([H])C=C1OC(=O)C(C)=C21
Compound: 17-hydroxyjolkinolide A
SMILES: [H][C@]12O[C@]11CC[C@]3([H])C(C)(C)CCC[C@@]3(C)[C@]1([H])C=C1OC(=O)C(CO)=C21
Compound: jolkinolide B
SMILES: [H][C@]12O[C@]11CC[C@]3([H])C(C)(C)CCC[C@@]3(C)[C@]1([H])[C@@]1([H])O[C@]11OC(=O)C(C)=C21
Compound: 17-hydroxyjolkinolide B
SMILES: [H][C@]12O[C@]11CC[C@]3([H])C(C)(C)CCC[C@@]3(C)[C@]1([H])[C@@]1([H])O[C@]11OC(=O)C(CO)=C21
Compound: oxypeucedanin hydrate
SMILES: CC(C)(O)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12
Compound: oxypeucedanin
SMILES: CC1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12
Compound: ostruthol
SMILES: C\C=C(\C)C(=O)O[C@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
Compound: osthole
SMILES: COc1ccc2ccc(=O)oc2c1CC=C(C)C
Compound: Ostruthin
SMILES: CC(C)=CCC\C(C)=C\Cc1cc2ccc(=O)oc2cc1O
Compound: subereamine A
SMILES: COc1ccc(\C=C\C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc1Br
Compound: subereamine B
SMILES: COc1c(Br)cc(cc1Br)\C=C\C(=O)N[C@H](CCCNC(N)=N)C(O)=O
Compound: subereaphenol D
SMILES: COc1ccc(O)c(CC(N)=O)c1Br
Compound: dichloroverongiaquinol
SMILES: NC(=O)CC1(O)C=C(Cl)C(=O)C(Cl)=C1
Compound: aerothionin
SMILES: COC1=C(Br)[C@H](O)[C@]2(CC(=NO2)C(=O)NCCCCNC(=O)C2=NO[C@@]3(C2)C=C(Br)C(OC)=C(Br)[C@@H]3O)C=C1Br
Compound: purealidin L
SMILES: COC1=C(Br)[C@H](O)[C@]2(CC(=NO2)C(=O)NCCCCNC(N)=N)C=C1Br
Compound: Saniculamoid A, rel-
SMILES: [H][C@@]12[C@H](CC[C@]1(C)[C@H]1CC[C@H](C=O)[C@@H]2O1)C(C)C
Compound: Saniculamoid B
SMILES: [H][C@@]12O[C@]1(CO)CC[C@H](O)[C@@]1(C)CC[C@H](C(C)C)[C@@]21[H]
Compound: Saniculamoid C
SMILES: [H][C@]12CC[C@@](C)(O)[C@@]1([H])C[C@@H]([C@@H](O)C[C@@]2(C)O)C(C)(C)O
Compound: Saniculamoid D
SMILES: [H][C@]12CCC(=O)[C@@]1([H])[C@]2([H])[C@@H](CCC(C)=O)C(C)C
Compound: (-)-alismoxide
SMILES: [H][C@]12CC[C@@](C)(O)[C@]1([H])C=C(CC[C@]2(C)O)C(C)C
Compound: (1R,2R,4aS,5R,8aR)-2-isopropyl-4a-methyl-8-methylenedecahydronaphthalene-1,5-diol
SMILES: [H][C@]12[C@H](O)[C@H](CC[C@]1(C)[C@H](O)CCC2=C)C(C)C
Compound: 4(15)-eudesmene-1beta,7alpha-diol
SMILES: [H][C@@]12C[C@@](O)(CC[C@@]1(C)[C@H](O)CCC2=C)C(C)C
Compound: cyperusol C
SMILES: [H][C@@]12C[C@@H](CC[C@@]1(C)[C@H](O)CC[C@@]2(C)O)C(C)=C
Compound: oppsit-4(15)-ene-1beta,11-diol
SMILES: [H][C@@]12[C@H](CC[C@@]1(C)[C@H](O)CCC2=C)CC(C)(C)O
Compound: (1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol
SMILES: [H][C@]1(CC[C@]2(C)[C@@H](O)CCC(=C)[C@@]12[H])[C@@H](O)C(C)C
Compound: citroside B
SMILES: CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: phlomuroside
SMILES: C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C
Compound: Heloside A, (rel)-
SMILES: [H][C@@]1(O[C@H]2CC[C@@]3(C)C(C2)=CC[C@@]2([H])[C@]4([H])C[C@H](O)[C@]([H])([C@H](C)[C@H](O)CC[C@@H](C)CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@]4(C)C[C@@H](O)[C@]32[H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Heloside B
SMILES: [H][C@@]1(O[C@H]2CC[C@@]3(C)C(C2)=CC[C@@]2([H])[C@]4([H])C[C@H](O)[C@]([H])([C@H](C)[C@H](O)CC[C@@H](C)CO)[C@@]4(C)C[C@@H](O)[C@]32[H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Helogenin
SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])[C@H](O)C[C@@]1(C)[C@@]2([H])C[C@H](O)[C@]1([H])[C@H](C)[C@H](O)CC[C@@H](C)CO
Compound: Cosmosporaside A
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO