MonarchInit/C3PO huggingface dataset:
Compound: 3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one
SMILES: [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)c3ccc(OC)c(OC)c3)[C@H]2OC(C)=O)[C@]1(O)[C@@H](C)C(=O)CCC(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: 3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyloxy]cholest-5-en-22-one
SMILES: [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(C)=O)[C@]1(O)[C@@H](C)C(=O)CCC(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: 3beta-[(O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one
SMILES: [H][C@@]1(O[C@H]2CC[C@@]3(C)C(C2)=CC[C@]2([H])[C@]3([H])CC[C@@]3(C)[C@@]2([H])C[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4OC(=O)c4ccc(OC)c(OC)c4)[C@H]2OC(C)=O)[C@]3(O)[C@@H](C)C(=O)CCC(C)C)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Compound: 3beta-[(O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4,5-trimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one
SMILES: [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H]2OC(C)=O)[C@]1(O)[C@@H](C)C(=O)CCC(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Compound: 3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)C(C3)=CC[C@]3([H])[C@]4([H])CC[C@@]4(C)[C@@]3([H])C[C@H](O[C@@H]3OC[C@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5OC(=O)c5ccc(OC)c(OC)c5)[C@H]3OC(C)=O)[C@]4(O)[C@@H](C)C(=O)CCC(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Compound: 3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4,5-trimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)C(C3)=CC[C@]3([H])[C@]4([H])CC[C@@]4(C)[C@@]3([H])C[C@H](O[C@@H]3OC[C@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5OC(=O)c5cc(OC)c(OC)c(OC)c5)[C@H]3OC(C)=O)[C@]4(O)[C@@H](C)C(=O)CCC(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Compound: 3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alphahydroxy-16beta-[(O-(3-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one
SMILES: [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](OC(=O)c4ccc(OC)c(OC)c4)[C@H]3O)[C@H]2OC(C)=O)[C@]1(O)[C@@H](C)C(=O)CCC(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Compound: 16beta-[(alpha-L-arabinopyranosyl)oxy]-3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxycholest-5-en-22-one
SMILES: [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@]1(O)[C@@H](C)C(=O)CCC(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: 16beta-[(O-(2-O-(E)-cinnamoyl-beta-D-xylopyranosyl)-(1->2)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]-3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxycholest-5-en-22-one
SMILES: [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)\C=C\c3ccccc3)[C@H]2OC(C)=O)[C@]1(O)[C@@H](C)C(=O)CCC(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Lunacridine
SMILES: COc1cccc2c(OC)c(C[C@@H](O)C(C)C)c(=O)n(C)c12
Compound: ciliatamide A
SMILES: CN([C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O)C(=O)CCCCCCCC=C
Compound: ciliatamide B
SMILES: CCCCCCCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O
Compound: cimifoetiside A
SMILES: [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)(C)O)O2
Compound: cimifoetiside B
SMILES: [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)(C)O)O2
Compound: circumdatin H
SMILES: [H][C@@]12CCCN1C(=O)c1ccccc1-n1c2nc2ccc(OC)cc2c1=O
Compound: citrafungin A
SMILES: [H][C@@]1(C[C@@H](OC1=O)\C=C\CC\C=C/CCCCCCCC)[C@](O)(CC(=O)O[C@H]([C@H](CC(O)=O)C(O)=O)C(O)=O)C(O)=O
Compound: citrafungin B
SMILES: [H][C@@]1(C[C@@H](OC1=O)\C=C\CC\C=C/C\C=C/CCCCC)[C@](O)(CC(=O)O[C@H]([C@H](CC(O)=O)C(O)=O)C(O)=O)C(O)=O
Compound: citrifolinoside
SMILES: CO[C@H]1[C@H](O[C@@H]2OC=C([C@H]3[C@@H]4O[C@@H]4[C@]4(OC(=O)C(=C4)C(=O)c4ccc(OC)c(O)c4)[C@@H]23)C(=O)OC)O[C@H](CO)[C@@H](O)[C@@H]1O
Compound: CJ-01
SMILES: [H][C@@]12Cc3c(C)coc3C(=O)[C@@]1(C)CCC=C2C
Compound: cladoniamide G
SMILES: CNC(=O)[C@@]1(O)C(=O)n2c(-c3[nH]c4ccc(Cl)cc4c13)c(OC)c1cc(Cl)ccc21
Compound: Lunacrine
SMILES: COc1cccc2c1n(C)c1O[C@H](Cc1c2=O)C(C)C
Compound: clathsterol
SMILES: [Na+].[Na+].[H][C@@]12CCC3C[C@H](OS([O-])(=O)=O)[C@H](C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@H](C)C(OC(=O)CCC)C(OC(=O)CCC)C(CC)C(C)C)[C@@H](O)[C@H](OC(C)=O)[C@@]21[H])OS([O-])(=O)=O
Compound: Cleistanone(rac)
SMILES: COC1OC(=O)c2c1c(O)c1cc(OC)c(OC)cc1c2-c1ccc2OCOc2c1
Compound: 8'-epi-cleomiscosin A
SMILES: [H][C@@]1(Oc2c(OC)cc3ccc(=O)oc3c2O[C@H]1CO)c1ccc(O)c(OC)c1
Compound: Clethramycin
SMILES: CC(\C=C\CC\C=C\C=C\C=C(/C)C(O)=O)[C@H](O)[C@@H](C)[C@H](O)\C=C\C=C\C=C\C=C\C=C\C=C\CC(OS(O)(=O)=O)C(C)C(=O)C[C@@H](O)C[C@@H](O)\C=C\C[C@H](O)C[C@@H](O)C[C@H](O)\C=C\C[C@@H](O)C[C@H](O)\C=C\C[C@@H](O)C[C@@H](O)CCCNC(N)=N
Compound: clionastatin A
SMILES: [H][C@@]12C(=O)C=C[C@@]1(C)CCC1=C2C(=O)C=C2C=C[C@H](Cl)[C@@H](Cl)[C@]12CCl
Compound: clionastatin B
SMILES: [H][C@@]12C(=O)C(Cl)=C[C@@]1(C)CCC1=C2C(=O)C=C2C=C[C@H](Cl)[C@@H](Cl)[C@]12CCl
Compound: cochinchinone A
SMILES: CC(C)=CCC\C(C)=C\Cc1c(O)c(CC=C(C)C)c(O)c2c1oc1ccc(O)cc1c2=O
Compound: cochinchinone B
SMILES: CC(C)=CCC\C(C)=C\Cc1c(O)c(O)cc2c1oc1cc(O)c(CC=C(C)C)c(O)c1c2=O
Compound: cochinchinone C
SMILES: [H][C@@]12C[C@@]3(OC)C=C4C(=O)c5c(O)cccc5O[C@@]14[C@@](CC=C(C)C)(OC2(C)C)C3=O
Compound: colossolactone V
SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@](CCC(=O)OC)(COC(C)=O)[C@@]([H])(CC3)C(C)(C)O)[C@H](C)[C@@H](C\C=C(\C)C(O)=O)OC(C)=O
Compound: Lunamarine
SMILES: COc1ccc2c(c1)n(C)c(cc2=O)-c1ccc2OCOc2c1
Compound: colossolactone VII
SMILES: [H][C@@]1(CC=C(C)C(=O)O1)[C@@H](C)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@](CCC(=O)OC)(COC(C)=O)[C@@]([H])(CC3)C(C)(C)O
Compound: colossolactone VIII
SMILES: [H][C@]1(OC(=O)C(C)=C[C@H]1O)[C@@H](C)[C@@]1([H])C[C@@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)C=C1C=CC(=O)OC(C)(C)[C@]1([H])CC3
Compound: colpol
SMILES: COc1cc(C\C=C/Cc2cc(O)c(Br)c(O)c2)c(O)cc1Br
Compound: conferol A
SMILES: [H][C@]1(COc2cc(O)ccc2[C@H]1O)c1ccc(O)cc1OC
Compound: conferol B
SMILES: [H][C@]1(COc2cc(C)ccc2[C@H]1O)c1ccccc1OC
Compound: complestatin A
SMILES: [H][C@]1(Cc2ccc(Oc3cc4cc(-c5ccc6C(C[C@@H](NC(=O)C(=O)c7cc(Cl)c(O)c(Cl)c7)C(=O)N[C@@H](C(=O)N[C@@]4([H])C(=O)N[C@@H](C(=O)N1C)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc6c5)c3O)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1
Compound: complestatin B
SMILES: CN1[C@@H](Cc2ccc(Oc3cc4cc(-c5ccc6c(NC(=O)C6(O)C[C@@H](NC(=O)C(=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@@H](C(=O)N[C@H]4C(=O)N[C@@H](C1=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)c5)c3O)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1
Compound: convallasaponin A
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](C)O[C@@]([H])(O[C@@H]2C[C@H](O)C[C@@]3([H])CC[C@]4([H])[C@]([H])(CC[C@@]5(C)[C@@]4([H])C[C@]4([H])O[C@]6(CC[C@H](C)CO6)[C@@H](C)[C@]54O)[C@@]23C)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: cordyheptapeptide A
SMILES: [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@]2([H])CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)CC
Compound: corymbolone
SMILES: C[C@H]1CCC(=O)[C@]2(C)CC[C@H](C[C@@]12O)C(C)=C
Compound: lunarine
SMILES: [H][C@@]12CC(=O)CC[C@@]11\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\c3ccc(O2)c1c3
Compound: corynoline
SMILES: [H][C@]12N(C)Cc3c4OCOc4ccc3[C@@]1(C)[C@@H](O)Cc1cc3OCOc3cc21
Compound: 3-O-trans-p-coumaroyl actinidic acid
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)C(=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)[C@@]2(C)CO
Compound: 2-O-E-p-coumaroyl alphitolic acid
SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)\C=C\c6ccc(O)cc6)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Compound: 3-beta-O-(E)-coumaroyl-D:C-friedooleana-7,9(11)-dien-29-oic acid
SMILES: [H][C@@]12CC=C3C(=CC[C@@]4(C)[C@]5([H])C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(O)=O)[C@@]1(C)CC[C@H](OC(=O)\C=C\c1ccc(O)cc1)C2(C)C
Compound: 6'-coumaroyl-1'-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside
SMILES: O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Compound: trans-N-p-coumaroyl tyramine
SMILES: C=1C=C(/C=C/C(NCCC2=CC=C(C=C2)O)=O)C=CC1O
Compound: crambescidin 800
SMILES: [H][C@]12CC[C@]3([H])[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]4(CCC[C@@H](C)O4)N=C(N[C@]4(CCC=C[C@H](CC)O4)C1)N23
Compound: crambescidin 826
SMILES: [H][C@]12CC[C@]3([H])[C@H](C(=O)OCCCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCC(N)=O)[C@]4(CCC[C@@H](C)O4)N=C(N[C@]4(CCC=C[C@H](CC)O4)C1)N23
Compound: crassifogenin C
SMILES: [H]C1(O)OC1(CC(O)C(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
Compound: crassolide
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H])OC(C)=O
Compound: Lunularic acid
SMILES: OC(=O)c1c(O)cccc1CCc1ccc(O)cc1
Compound: crassumolide A
SMILES: [H][C@]12C\C(C)=C\[C@@H](O)C\C(C)=C\CC\C(C)=C\C[C@]1([H])C(=C)C(=O)O2
Compound: cratoxyarborenone A
SMILES: CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c12
Compound: cratoxyarborenone B
SMILES: CC(C)=CCc1c(O)cc2oc3c(O)cc(O)c(CC=C(C)C)c3c(=O)c2c1O
Compound: cratoxyarborenone C
SMILES: COc1cc(OC)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
Compound: cratoxyarborenone D
SMILES: CC(C)=CCc1c(O)c(O)c(O)c2oc3cc4OC(Cc4c(O)c3c(=O)c12)C(C)=C
Compound: cratoxyarborenone E
SMILES: COc1c(O)cc2c(oc3c(CC=C(C)C)c(O)cc(O)c3c2=O)c1CC=C(C)C
Compound: cratoxyarborenone F
SMILES: COc1ccc(O)c2c1oc1cc(O)ccc1c2=O
Compound: 3beta-[(O-beta-D-glucopyranosyl-(1->3)-4,6-dideoxy-2-O-methyl-beta-D-gulopyranosyl)]-5beta,14beta-dihydroxy-19-oxocard-20(22)enolide
SMILES: [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@H](CC[C@]4(C=O)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1OC)C1=CC(=O)OC1
Compound: CT2108A
SMILES: C\C=C\C=C\C=C\C1=CC2=CC(=O)[C@](C)(OC(=O)C[C@H](C)O)C(=O)C22OC2O1
Compound: CT2108B
SMILES: C\C=C\C=C\C=C\C1=CC2=CC(=O)[C@](C)(OC(=O)C[C@H](C)O)C(=O)C2=CO1
Compound: Lunularin
SMILES: Oc1ccc(CCc2cccc(O)c2)cc1
Compound: (2S)-6-(gamma,gamma-dimethylallyl)-5-hydroxy-3',4'-dimethoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone
SMILES: COc1ccc(cc1OC)[C@@H]1CC(=O)c2c(O)c(CC=C(C)C)c3OC(C)(C)C=Cc3c2O1
Compound: (2S)-6-(gamma,gamma-dimethylallyl)-5,3'-dihydroxy-4'-methoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone
SMILES: COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)c(CC=C(C)C)c3OC(C)(C)C=Cc3c2O1
Compound: (2S)-6-(gamma,gamma-dimethylallyl)-5,4'-dihydroxy-3'-methoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone
SMILES: COc1cc(ccc1O)[C@@H]1CC(=O)c2c(O)c(CC=C(C)C)c3OC(C)(C)C=Cc3c2O1
Compound: (2S)-6-(gamma,gamma-dimethylallyl)-3',4'-dimethoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone
SMILES: COc1ccc(cc1OC)[C@@H]1CC(=O)c2cc(CC=C(C)C)c3OC(C)(C)C=Cc3c2O1
Compound: (-)-cubebin
SMILES: [H][C@@]1(CO[C@H](O)[C@]1([H])Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1
Compound: (-)-3,4-dimethoxy-3,4-desmethylenedioxycubebin
SMILES: [H][C@@]1(COC(O)[C@]1([H])Cc1ccc2OCOc2c1)Cc1ccc(OC)c(OC)c1
Compound: cudratricusxanthone A
SMILES: CC(C)=CCc1c(O)c(O)cc2oc3c(c(O)cc(O)c3c(=O)c12)C(C)(C)C=C
Compound: cudranian 1
SMILES: OC[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3c(O)c2Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: cudranian 2
SMILES: OC[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c(O)c2Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: cumingianoside A
SMILES: [H][C@]1(CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]2([H])C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]31C)[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O
Compound: cumingianoside B
SMILES: [H][C@]1(C[C@@]2([H])C(C)(C)[C@@H](CC[C@]2(C)[C@@]2([H])CC[C@]34C[C@]3(CC[C@@]4([H])[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O)[C@]12C)OC(C)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: cumingianoside C
SMILES: [H][C@]1(CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]2([H])C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]31C)[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)OC
Compound: cumingianoside D
SMILES: [H][C@]1(CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]2([H])C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]31C)[C@@H](C)C[C@@H](O)[C@H](O)C(C)=C
Compound: cumingianoside E
SMILES: [H][C@]1(C[C@@]2([H])C(C)(C)[C@@H](CC[C@]2(C)[C@@]2([H])CC[C@]34C[C@]3(CC[C@@]4([H])[C@@H](C)C[C@@H](O)[C@]3([H])OC3(C)C)[C@]12C)OC(C)=O)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O
Compound: cumingianoside F
SMILES: [H][C@]1(C[C@@]2([H])C(C)(C)[C@H](O)CC[C@]2(C)[C@@]2([H])CC[C@]34C[C@]3(CC[C@@]4([H])[C@@H](C)C[C@@H](O)[C@]3([H])OC3(C)C)[C@]12C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O
Compound: curtisian A
SMILES: CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(OC(C)=O)c1-c1ccc(O)cc1
Compound: curtisian B
SMILES: CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)CCc2ccccc2)c(OC(C)=O)c1-c1ccc(O)cc1
Compound: curtisian C
SMILES: CC(O)CC(=O)Oc1c(OC(=O)CC(C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(C)=O)c(OC(=O)CC(C)OC(C)=O)c1-c1ccc(O)cc1
Compound: curtisian D
SMILES: CC(O)CC(=O)Oc1c(OC(=O)CCc2ccccc2)c(-c2ccc(O)cc2)c(OC(C)=O)c(OC(C)=O)c1-c1ccc(O)cc1
Compound: lupeol
SMILES: [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](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: Cuscuta propenamide 1
SMILES: COc1ccc(CCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1
Compound: Cuscuta propenamide 2
SMILES: CCCCc1ccc(CCNC(=O)\C=C\c2ccc(O)c(OC)c2)cc1
Compound: cyathusal A
SMILES: COc1c(O)c(O)c-2c(COc3cc(\C=C\C)oc(=O)c-23)c1C=O
Compound: cyathusal B
SMILES: COc1c(O)c(O)c-2c(C(O)Oc3cc(\C=C\C)oc(=O)c-23)c1C=O
Compound: cyathusal C
SMILES: COc1c(O)c(O)c-2c(C(OC(C)C)Oc3cc(oc(=O)c-23)\C=C\C)c1C=O
Compound: Pulvinatal
SMILES: COC1Oc2cc(\C=C\C)oc(=O)c2-c2c(O)c(O)c(OC)c(C=O)c12
Compound: cyclomontanin A
SMILES: [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC2=O)[C@@H](C)O
Compound: cyclomontanin C
SMILES: [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)C(C)C
Compound: cyclomontanin D
SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC2=O
Compound: cylindol A
SMILES: COC(=O)c1ccc(O)c(Oc2cc(ccc2O)C(=O)OC)c1
Compound: cystodytin D
SMILES: CC(C)=CC(=O)NCC(O)C1=CC(=O)c2nccc3c4ccccc4nc1c23
Compound: cystodytin E
SMILES: C\C=C(/C)C(=O)NCC(O)C1=CC(=O)c2nccc3c4ccccc4nc1c23
Compound: cystodytin F
SMILES: COC(CNC(=O)C=C(C)C)C1=CC(=O)c2nccc3c4ccccc4nc1c23
Compound: cystodytin G
SMILES: COC(CNC(=O)C(\C)=C\C)C1=CC(=O)c2nccc3c4ccccc4nc1c23
Compound: cystodytin H
SMILES: CCCCCCCC\C=C\CCCCCCCC(=O)OC(CNC(=O)C=C(C)C)C1=CC(=O)c2nccc3c4ccccc4nc1c23
Compound: cystodytin I
SMILES: CCCCCCCC\C=C\CCCCCCCC(=O)OC(CNC(=O)C(\C)=C\C)C1=CC(=O)c2nccc3c4ccccc4nc1c23
Compound: cystothiazole A
SMILES: CO[C@@H](\C=C\c1csc(n1)-c1csc(n1)C(C)C)[C@@H](C)C(\OC)=C/C(=O)OC
Compound: cytonic acid A
SMILES: CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(O)=O)c(CCC)c2)c(CCC)c1
Compound: cytonic acid B
SMILES: CCCCCc1cc(OC(=O)c2c(O)cc(OC(=O)c3c(O)cc(O)cc3CCC)cc2CCC)cc(O)c1C(O)=O
Compound: cytosporic acid
SMILES: [H][C@@]12C[C@H](C)C[C@H](C(O)=O)[C@@]1([H])[C@](C)(C(=O)CCO)C([C@H](C)CCCC)=C(O)C2=O
Compound: L-lupinic acid
SMILES: C\C(CO)=C/CNc1ncnc2n(C[C@H](N)C(O)=O)cnc12
Compound: cytotrienin A
SMILES: CO[C@@H]1CC(=O)Nc2cc(O)cc(CC\C=C(C)/[C@H](O)[C@@H](C)[C@H](C\C=C\C=C\C=C\1)OC(=O)C1(CC1)NC(=O)C1=CCCCC1)c2O
Compound: daedalin A
SMILES: C[C@@]1(CO)Oc2ccc(O)cc2C=C1
Compound: 20(R),22(xi),24(S)-dammar-25(26)-ene-3beta,6alpha,12beta,20,22,24-hexanol
SMILES: [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])[C@@H](O)C[C@@]21C)[C@@](C)(O)C(O)C[C@H](O)C(C)=C
Compound: 9-deacetoxyfumigaclavine C
SMILES: [H][C@@]12Cc3c([nH]c4cccc(c34)[C@@]1([H])C[C@@H](C)CN2C)C(C)(C)C=C
Compound: 15-O-deacetylnimbolidin B
SMILES: [H][C@]1(C[C@H](O)C(=C1C)[C@@]1(C)[C@H](CC(=O)OC)[C@@]2(C)[C@H](C[C@@H](OC(C)=O)[C@@]3(C)CO[C@@]([H])([C@H]1OC(=O)C(\C)=C\C)[C@]23[H])OC(C)=O)c1ccoc1
Compound: 12-O-deacetyltrichilin H
SMILES: [H][C@@]12C[C@@H](c3ccoc3)[C@]3(C)[C@@H](O)C(=O)[C@@]4([H])[C@@](C)([C@H](O)C[C@@]5([H])[C@@]6(C)[C@@H](OC[C@@]45[C@@H](O)[C@@H](OC(C)=O)[C@H]6OC(C)=O)OC(=O)C(C)C)[C@@]13O2
Compound: Decarine
SMILES: COc1c(O)ccc2c1cnc1c2ccc2cc3OCOc3cc12
Compound: decatromicin A
SMILES: [H][C@]12C\C=C\C\C(C)=C\[C@@]3(C)C=C([C@@H](CC)C[C@]33OC(=O)C(C(=O)[C@@]1(CC)[C@]1([H])CC[C@H](C)[C@]([H])(O[C@H]4C[C@@H](O)[C@H](NC(=O)c5[nH]ccc5Cl)[C@@H](C)O4)[C@@]1([H])C=C2)=C3O)C(O)=O
Compound: decatromicin B
SMILES: [H][C@]12C\C=C\C\C(C)=C\[C@@]3(C)C=C([C@@H](CC)C[C@]33OC(=O)C(C(=O)[C@@]1(CC)[C@]1([H])CC[C@H](C)[C@]([H])(O[C@H]4C[C@H](O)[C@H](NC(=O)c5[nH]c(Cl)cc5Cl)[C@@H](C)O4)[C@@]1([H])C=C2)=C3O)C(O)=O
Compound: C-2'-decoumaroyl-aloeresin G
SMILES: COc1cc(C)c2c(oc(\C=C\C)cc2=O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: decussatin
SMILES: COc1cc(O)c2c(c1)oc1ccc(OC)c(OC)c1c2=O
Compound: 9(11)-dehydroaxinysterol
SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)\C=C\[C@H](C)C(C)=C
Compound: 7,8-dehydrocerberin
SMILES: [H][C@]12CC=C3[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1OC(C)=O
Compound: dehydrodiconiferyl dibenzoate
SMILES: COc1cc(ccc1O)C1Oc2c(OC)cc(\C=C\COC(=O)c3ccccc3)cc2C1COC(=O)c1ccccc1
Compound: 1,2-dehydrogeissoschizoline
SMILES: [H][C@@]12C[C@]3([H])N(CC[C@]33C(=Nc4ccccc34)[C@H]1CO)C[C@H]2CC
Compound: demethoxycurcumin
SMILES: COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)ccc1O
Compound: (-)-demethoxylpinoresinol
SMILES: [H][C@@]12CO[C@@H](c3ccc(O)c(OC)c3)[C@]1([H])CO[C@H]2c1ccc(O)cc1
Compound: O-demethylbuchenavianine
SMILES: CN1CCCCC1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
Compound: lupulone
SMILES: C=1(C(C(C(C(CC(C)C)=O)=C(C1CC=C(C)C)O)=O)(CC=C(C)C)CC=C(C)C)O
Compound: 7'-O-demethylisocephaeline
SMILES: [H][C@]1(C[C@]2([H])NCCc3cc(O)c(O)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC
Compound: 4'-O-demethylknipholone-4'-O-beta-D-glucopyranoside
SMILES: O([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(=C(C=3C4=C(C(=O)C5=C(C=CC=C5C4=O)O)C(=CC3C)O)C(=C2C(=O)C)O)O
Compound: 5-O-demethylpaxanthonin
SMILES: [H][C@@]1(C[C@]([H])(c2c(O)cc3oc4c(O)c(O)ccc4c(=O)c3c2O)C(C)(C)C1)C(C)=C
Compound: dendrocandin C
SMILES: CO[C@@H](Cc1ccc(O)cc1)c1cc(O)c(O)c(OC)c1
Compound: dendrocandin D
SMILES: CCO[C@@H](Cc1ccc(O)cc1)c1cc(O)c(O)c(OC)c1
Compound: dendrocandin E
SMILES: COc1cc(CCc2ccc(O)c(O)c2)cc(O)c1O
Compound: 5-deoxyglyasperin F
SMILES: CC1(C)Oc2c(ccc(O)c2C=C1)C1COc2cc(O)ccc2C1=O
Compound: 12-deoxyphorbol-13-(3E,5E-decadienoate)
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)C\C=C\C=C\CCCC)[C@@]2([H])C1(C)C
Compound: desacetylpyramidaglain D
SMILES: [H][C@]1(C(=O)NCCCCNC(=O)c2ccccc2)[C@]([H])(c2ccccc2)[C@@]2(Oc3cc(OC)cc(OC)c3[C@@]1(O)[C@H]2O)c1ccc(OC)cc1
Compound: 6-desmethyl-N-methylfluvirucin A1
SMILES: [H][C@]1(O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]1O)O[C@H]1CCCCCC[C@H](CC)CCCNC(=O)[C@@H]1C
Compound: Lusitanicoside
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(CC=C)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: N-methylfluvirucin A1
SMILES: [H][C@]1(O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]1O)O[C@H]1CC[C@H](C)CCC[C@H](CC)CCCNC(=O)[C@@H]1C
Compound: 3,5-di-O-caffeoyl quinic acid
SMILES: O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C\c1ccc(O)c(O)c1
Compound: 6beta,16beta-diacetoxy-25-hydroxy-3,7-dioxy-29-nordammara-1,17(20)-dien-21-oic acid
SMILES: [H][C@@]12CC[C@@]3([H])[C@@]4(C)C=CC(=O)[C@@H](C)[C@]4([H])[C@H](OC(C)=O)C(=O)[C@]3(C)[C@@]1(C)C[C@H](OC(C)=O)\C2=C(\CCCC(C)(C)O)C(O)=O
Compound: 3,5-di-O-acetyl-1-O-[(5beta,8alpha,9beta,10alpha)-18-oxokaur-16-en-18-yl]-beta-L-arabinofuranose
SMILES: [H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1O)C(=C)C4
Compound: diandraflavone
SMILES: [H][C@@]1(C[C@@H](O)[C@@H](O)[C@@H](C)O1)c1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Compound: dianversicoside A
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)C[C@@](C)(O)CC(O)=O)O[C@H]1OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: dianversicoside B
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](COC(=O)C[C@@](C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H]1O
Compound: dianversicoside C
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](COC(=O)C[C@@](C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@]5([H])CC[C@@]4(C)[C@]2(C)CC3)[C@@H]1O
Compound: dianversicoside D
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](COC(=O)C[C@@](C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(C)CC3)[C@@H]1O
Compound: dianversicoside E
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H]1O
Compound: dianversicoside F
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: dianversicoside G
SMILES: [H][C@]1(OC[C@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4(CC[C@@]32C)C(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@]1(C)C(O)=O
Compound: (-)-dibromophakellin
SMILES: [H][C@@]12NC(N)=N[C@@]11CCCN1C(=O)c1cc(Br)c(Br)n21
Compound: 5,5'-dibutoxy-2,2'-bifuran
SMILES: CCCCOc1ccc(o1)-c1ccc(OCCCC)o1
Compound: dicerandrol A
SMILES: C[C@@H]1CC(O)=C2C(=O)c3c(O[C@]2(CO)[C@@H]1OC(C)=O)ccc(c3O)-c1ccc2O[C@]3(CO)[C@H](OC(C)=O)[C@H](C)CC(O)=C3C(=O)c2c1O
Compound: dicerandrol B
SMILES: C[C@@H]1CC(O)=C2C(=O)c3c(O[C@]2(CO)[C@@H]1OC(C)=O)ccc(c3O)-c1ccc2O[C@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](C)CC(O)=C3C(=O)c2c1O
Compound: dicerandrol C
SMILES: C[C@@H]1CC(O)=C2C(=O)c3c(O[C@]2(COC(C)=O)[C@@H]1OC(C)=O)ccc(c3O)-c1ccc2O[C@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](C)CC(O)=C3C(=O)c2c1O
Compound: dichotomoside D
SMILES: CCCCOC(=O)CCc1cc(OC)c(O)c(c1)-c1cc(CCC(=O)OCCCC)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: (9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoic acid
SMILES: CC\C=C/C\C=C/C\C=C/CC#CCCCCC(O)=O
Compound: dieckol
SMILES: Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1
Compound: 2,3-dihydro-4',4'''-di-O-methylamentoflavone
SMILES: COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)[C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2o1
Compound: 6'',7''-dihydro-5',5'''-dicapsaicin
SMILES: COc1cc(CNC(=O)CCCCCCC(C)C)cc(c1O)-c1cc(CNC(=O)CCCC\C=C\C(C)C)cc(OC)c1O
Compound: 4',5'-dihydro-11,5'-dihydroxy-4'-methoxytephrosin
SMILES: [H][C@@]12COc3cc(OC)c(OC)cc3[C@]1(O)C(=O)c1c(O)cc3OC(C)(C)C(O)C(OC)c3c1O2
Compound: 3,5-dihydroxy-2-(1'-oxo-3'-hexadecenyl)-2-cyclohexene-1-one
SMILES: CCCCCCCCCCCC\C=C\CC(=O)C1=C(O)CC(O)CC1=O
Compound: 1alpha-acetoxy-2alpha-hydroxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran
SMILES: [H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(COC(=O)c4ccccc4)[C@@H](OC(C)=O)[C@@H](O)C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(=O)c1ccccc1
Compound: 2alpha-acetoxy-1alpha-hydroxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran
SMILES: [H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(COC(=O)c4ccccc4)[C@@H](O)[C@H](C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(=O)c1ccccc1)OC(C)=O
Compound: 4beta,14-dihydroxy-6alpha,7beta-H-1(10)-cadinene
SMILES: [H][C@]12C[C@@](C)(O)CCC1=C(CO)CC[C@@H]2C(C)C
Compound: 2',4'-dihydroxy-3'-(2-hydroxy benzyl)-6'-methoxy chalcone
SMILES: COc1cc(O)c(Cc2ccccc2O)c(O)c1C(=O)\C=C\c1ccccc1
Compound: 16beta,17-dihydroxy-ent-kaurane-19-oic acid
SMILES: C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3)C(O)=O
Compound: 2,5-dihydroxy-3-methanesulfinylbenzyl alcohol
SMILES: CS(=O)c1cc(O)cc(CO)c1O
Compound: 7,4'-dihydroxy-3'-methoxyisoflavone
SMILES: COc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O
Compound: 3beta,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one
SMILES: Cc1cc2C(=O)C=C3C(C)(C)[C@@H](O)CC[C@]3(C)c2cc1O
Compound: 3beta,12-dihydroxy-13-methyl-6,8,11,13-podocarpatetraene
SMILES: [H][C@@]12C=Cc3cc(C)c(O)cc3[C@@]1(C)CC[C@H](O)C2(C)C
Compound: 2alpha,19alpha-dihydroxy-3-oxo-12-ursen-28-oic 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(=O)C2(C)C
Compound: 3,4-dihydroxy-5-prenylcinnamic acid
SMILES: CC(C)=CCc1cc(cc(O)c1O)\C=C\C(O)=O
Compound: 2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran
SMILES: CC(C)=CCc1cc(c(O)cc1O)-c1cc2cc3OCOc3cc2o1
Compound: 4,4'-dihydroxybenzyl sulfone
SMILES: Oc1ccc(CS(=O)(=O)Cc2ccc(O)cc2)cc1
Compound: 7,8-dihydroxyflavanone
SMILES: Oc1ccc2C(=O)CC(Oc2c1O)c1ccccc1
Compound: 28,29-dihydroxyfriedelan-3-one
SMILES: [H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])C[C@](C)(CO)CC[C@]3(CO)CC[C@]12C
Compound: 8alpha,19-dihydroxylabd-13E-ene-15-oic acid
SMILES: [H][C@@]12CC[C@@](C)(O)[C@H](CC\C(C)=C\C(O)=O)[C@@]1(C)CCC[C@@]2(C)CO
Compound: luteolin 7-O-(6-O-malonyl-beta-D-glucoside)
SMILES: O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Compound: 7-phloroeckol
SMILES: Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(O)cc5O)cc(O)c4Oc23)c1
Compound: 2-(3,4-dihydroxyphenyl)-ethyl-O-beta-D-glucopyranoside
SMILES: OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: diinsininol
SMILES: [H][C@@]1(CC(=O)c2c(O)cc3O[C@]4(C[C@]([H])(c5c(O)cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc5O4)c3c2O1)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
Compound: diinsinin
SMILES: [H][C@@]1(CC(=O)c2c(O)cc3O[C@]4(C[C@]([H])(c5c(O)cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc5O4)c3c2O1)c1ccc(O)c(O)c1)c1ccc(O)cc1
Compound: dilopholide
SMILES: [H][C@@]12C\C(C)=C\CC\C(=C\OC(C)=O)[C@@]([H])(C(=O)O1)[C@@]2([H])[C@@H](C)CCC=C(C)C
Compound: (2S)-5,7-dimethoxy-8-formylflavanone
SMILES: COc1cc(OC)c2C(=O)C[C@H](Oc2c1C=O)c1ccccc1
Compound: (2S)-5,7-dimethoxy-8-(2S-hydroxy-3-methyl-3-butenyl)-3',4'-methylenedioxyflavanone
SMILES: [H][C@]1(CC(=O)c2c(OC)cc(OC)c(C[C@H](O)C(C)=C)c2O1)c1ccc2OCOc2c1
Compound: dinochrome A
SMILES: [H][C@]1(O[C@]2(C)C[C@@H](O)CC(C)(C)C2=C1)C(\C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)OC(C)=O
Compound: 3,21-dioxoolean-18-en-28-oic acid
SMILES: [H][C@]12CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC(=O)C(C)(C)C=C21)C(O)=O
Compound: diperamycin
SMILES: CCCCCCC1CCC(O)(OC1C)C(C)(O)C(=O)NC1C(C)OC(=O)C(C)N(O)C(=O)C2CCCNN2C(=O)CNC(=O)C(COC)N(O)C(=O)C2CCCNN2C1=O
Compound: 5-hydroxy-7-prop-2-en-(E)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one
SMILES: OC1=C2C=CCOC2\C(=C/C=C)C1=O
Compound: 5-hydroxy-7-prop-2-en-(Z)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one
SMILES: OC1=C2C=CCOC2\C(=C\C=C)C1=O
Compound: diuvaretin
SMILES: COc1c(Cc2ccccc2O)c(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc1ccccc1
Compound: dorsilurin F
SMILES: CC(C)=CCc1ccc(cc1O)-c1oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2c(=O)c1O
Compound: dorsilurin G
SMILES: CC(C)=CCc1c(O)c(CC=C(C)C)c2oc(-c3ccc(C[C@H](O)C(C)=C)c(O)c3)c(O)c(=O)c2c1O
Compound: dorsilurin H
SMILES: CC(C)=CCc1c(O)c2CCC(C)(C)Oc2c2c1oc(-c1ccc(C[C@H](O)C(C)=C)c(O)c1)c(O)c2=O
Compound: dorsilurin I
SMILES: CC(C)=CCc1c(O)c2c(oc(-c3ccc(C[C@H](O)C(C)=C)c(O)c3)c(O)c2=O)c2CCC(C)(C)Oc12
Compound: dorsilurin J
SMILES: CC(C)=CCc1ccc(cc1O)-c1oc2c(CC=C(C)C)c(O)c3CCC(C)(C)Oc3c2c(=O)c1O
Compound: dorsilurin K
SMILES: CC(C)=CCc1ccc(cc1O)-c1oc2c3CCC(C)(C)Oc3c3CCC(C)(C)Oc3c2c(=O)c1O
Compound: drummondin D
SMILES: CC(C)=CCC1(C)C(O)=C(Cc2c(O)c3C=CC(C)(C)Oc3c(C(C)=O)c2O)C(=O)C(C(C)=O)=C1O
Compound: drummondin E
SMILES: CC(C)=CCOc1cc(O)c(C(C)=O)c(O)c1CC1=C(O)C(C)(CC=C(C)C)C(O)=C(C(C)=O)C1=O
Compound: drummondin F
SMILES: CC(C)=CCc1c(O)c(CC2=C(O)C(C)(CC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c(C(C)=O)c1O
Compound: isodrummondin D
SMILES: CC(C)=CCC1(C)C(O)=C(Cc2c(O)c(C(C)=O)c(O)c3C=CC(C)(C)Oc23)C(=O)C(C(C)=O)=C1O
Compound: drymaritin
SMILES: COc1cc(=O)n2c3ccccc3c3ccnc1c23
Compound: durhamycin A
SMILES: [H][C@@]1(Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C(C)CC)c(O)c3c(O)c2C(=O)[C@]1([H])O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)[C@@H](OC(C)=O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(OC)C(=O)C(O)C(C)O
Compound: durhamycin B
SMILES: [H][C@@]1(Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C(C)CC)c(O)c3c(O)c2C(=O)[C@]1([H])O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@H](O)[C@H](O)[C@@H](C)O3)[C@@H](OC(C)=O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(OC)C(=O)C(O)C(C)O
Compound: dysidine
SMILES: [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@](C)(CC1=C(O)C(=O)C=C(NCCS(O)(=O)=O)C1=O)[C@@H]2C
Compound: dysoxyhainanin A
SMILES: [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)\C(=C/NC=O)[C@]21C)C(O)=O
Compound: dzununcanone
SMILES: [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C(C(C)=O)/C(=C\C(=O)OC)[C@]3(C)CC[C@@]21C)C(=O)OC
Compound: eckol
SMILES: Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Compound: eckstolonol
SMILES: Oc1cc(O)c2oc3c(oc2c1)c(O)cc1oc2c(O)cc(O)cc2oc31
Compound: ehretianone
SMILES: [H][C@]12C=C(C)C[C@@]3(Oc4ccc(O)cc14)C(=O)C=CC(=O)[C@]23CC=C(C)C
Compound: EI-1511-3
SMILES: [H][C@]12O[C@@]1([H])[C@@](O)(C=C(NC(=O)\C=C\C=C\CC(C)C)C2=O)\C=C\C=C\C=C\C(=O)NC1=C(O)CCC1=O
Compound: EI-1511-5
SMILES: [H][C@]12O[C@@]1([H])[C@](O)(\C=C\C=C\C=C\C(=O)NC1=C(O)CCC1=O)C=C(NC(=O)\C=C\C=C\C=C\C(C)CC)C2=O
Compound: EI-1625-2
SMILES: [H][C@]12O[C@@]1([H])[C@](O)(C=C(NC(=O)\C=C\C(C)CCCC)C2=O)\C=C\C=C\C=C\C(=O)NC1=C(O)CCC1=O
Compound: elaeodendroside B
SMILES: [H][C@@]12C[C@@]3(C)C(CC[C@]4([H])[C@]3([H])CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)=C[C@@]1([H])O[C@]1([H])OCC[C@H](OC)[C@]1(O)O2
Compound: elaeodendroside F
SMILES: [H][C@@]12C[C@@]3(C)C(CC[C@]4([H])[C@]3([H])CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)=C[C@@]1([H])O[C@]1([H])OCC[C@H](OC)[C@]1(O)O2
Compound: elaeodendroside G
SMILES: [H][C@@]12C[C@@]3(C)C(CC[C@]4([H])[C@]3([H])CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)=C[C@@]1([H])O[C@]1([H])OCC[C@@H](OC)[C@]1(O)O2
Compound: elaeodendroside T
SMILES: [H][C@@]12C[C@@]3(C)C(CC[C@]4([H])[C@]3([H])CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)=C[C@@]1([H])O[C@]1([H])O[C@H](C)C[C@@H](OC)[C@]1(O)O2
Compound: elaeodendroside U
SMILES: [H][C@]1(OCC[C@H](OC)[C@@H]1O)O[C@@H]1C=C2CC[C@]3([H])[C@]([H])(CC(=O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]2(C)C[C@H]1O
Compound: elaeodendroside V
SMILES: [H][C@@]1(O[C@H]2CC[C@]3(CO)[C@@]4([H])[C@H](O)C[C@]5(C)[C@]([H])(CC[C@]5(O)[C@]4([H])CC[C@]3(O)C2)C2=CC(=O)OC2)O[C@H](C)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Compound: elaeodendroside W
SMILES: [H][C@@]1(O[C@H]2CC[C@]3(C=O)[C@@]4([H])[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@]4([H])CC[C@]3(O)C2)C2=CC(=O)OC2)O[C@H](C)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Compound: (4betaH)-5alpha-hydroxy-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(10),11(13)-guaiadien-12,6alpha-olide
SMILES: [H][C@@]12[C@H](CC(C)=C3C(=O)C[C@@H](C)[C@]3(O)[C@H]1OC(=O)C2=C)OC(=O)C(\C)=C\C
Compound: (4betaH)-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(5),10(14),11(13)-guaiatrien-12,6alpha-olide
SMILES: [H][C@@]12[C@H](CC(=C)C3=C([C@H](C)CC3=O)[C@H]1OC(=O)C2=C)OC(=O)C(\C)=C\C
Compound: 2,5-epoxy-2beta-hydroxy-8alpha-(2-methylbut-2-enoyloxy)-4(15),10(14),11(13)-germacratrien-12,6alpha-olide
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](CC(=C)C[C@]1(O)C[C@@](C)(OC)[C@@H]2O1)OC(=O)C(\C)=C\C
Compound: 2beta-methoxy-2-deethoxyphantomolin
SMILES: [H][C@@]12O[C@@](OC)(\C=C(C)\C[C@H](OC(=O)C(C)=C)[C@@]3([H])C(=C)C(=O)O[C@]13[H])C=C2C
Compound: 2beta-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate
SMILES: [H][C@@]12O[C@@](OC)(\C=C(C)\C[C@H](OC(=O)C(\C)=C\C)[C@@]3([H])C(=C)C(=O)O[C@]13[H])C=C2C
Compound: elongatol A
SMILES: [H][C@]12CCC3=C[C@@H](O)C[C@H](C)[C@@]3(C)[C@@]1([H])[C@H](C)[C@@H](O)O2
Compound: elongatol E
SMILES: [H][C@]12CC[C@]3(O)C=CC[C@H](C)[C@@]3(C)[C@@]1([H])[C@H](C)[C@@H](O)O2
Compound: emarginatine B
SMILES: [H]C1OC(=O)c2cccnc2[C@H](C)[C@]([H])(C)C(=O)O[C@@]2([H])[C@H](OC(=O)c3ccc(=O)n(C)c3)[C@H](OC(C)=O)[C@]3(COC(C)=O)[C@H](OC(=O)c4ccccc4)[C@@H](OC(C)=O)[C@]4([H])[C@@H](OC(C)=O)[C@]3(O[C@@]14C)[C@@]2(C)O
Compound: luteolinidin
SMILES: Oc1cc(O)c2ccc([o+]c2c1)-c1ccc(O)c(O)c1
Compound: emarginatine F
SMILES: [H]C1OC(=O)c2cccnc2[C@@]([H])(C)[C@@]([H])(C)C(=O)O[C@@]2([H])[C@H](OC(=O)c3ccc(=O)n(C)c3)[C@H](OC(=O)c3ccccc3)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H](O)[C@]4([H])[C@@H](OC(C)=O)[C@]3(O[C@@]14C)[C@@]2(C)O
Compound: 5-O-methyl embelin
SMILES: CCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O
Compound: 5-O-ethyl embelin
SMILES: CCCCCCCCCCCC1=C(O)C(=O)C=C(OCC)C1=O
Compound: 1S,4R,6R-1,4-endoperoxy-bisabola-2,10-diene
SMILES: [H][C@@]1(C[C@H]2OO[C@@H]1C=C2C)[C@@H](C)CCC=C(C)C
Compound: 1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
SMILES: [H][C@@]1(C[C@@H]2OO[C@H]1C=C2C)[C@@H](C)CCC=C(C)C
Compound: 20-epi-bryonolic acid
SMILES: [H][C@@]12CCC3=C(CC[C@@]4(C)[C@]5([H])C[C@](C)(CC[C@]5(C)CC[C@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C
Compound: epi-cochlioquinone A
SMILES: [H][C@@]12CC[C@]3(C)OC4=C([C@@H](O)[C@]3([H])[C@@]1(C)CC[C@@H](O2)C(C)(C)O)C(=O)C=C([C@H](C)[C@H](OC(C)=O)[C@@H](C)CC)C4=O
Compound: (-)-epicatechin-5-gallate
SMILES: [H][C@@]1(Oc2cc(O)cc(OC(=O)c3cc(O)c(O)c(O)c3)c2C[C@H]1O)c1ccc(O)c(O)c1
Compound: epichlicin
SMILES: CCCCCCCCCCC[C@@H]1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N1
Compound: 7-epiclusianone
SMILES: CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@](CC=C(C)C)(C2=O)C1(C)C
Compound: 5alpha,8alpha-epidioxycholest-6-en-3beta-ol
SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)CCCC(C)C
Compound: (22E,24R)-5alpha,8alpha-epidioxyergosta-6,9,22-triene-3beta-ol-3-O-beta-D-glucopyranoside
SMILES: [H][C@@]1(O[C@H]2CC[C@]3(C)C4=CC[C@]5(C)[C@]([H])(CC[C@@]5([H])[C@]44OO[C@@]3(C2)C=C4)[C@H](C)\C=C\[C@H](C)C(C)C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: 5alpha,8alpha-epidioxysterol
SMILES: [H][C@@]1(C[C@]1([H])[C@@H](C)[C@@]1([H])CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)C(C)C
Compound: epigallocatechin-(4beta->8,2beta->O-7)-epicatechin
SMILES: [H][C@@]1(Oc2c(C[C@H]1O)c(O)cc1O[C@@]3(Oc4cc(O)cc(O)c4[C@@]([H])([C@H]3O)c21)c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1
Compound: 16,23-epoxy-5beta-cholestane triglycoside
SMILES: [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])C[C@]3([H])O[C@@H](C=C(C)C)[C@H](O)[C@@H](C)[C@]23[H])C1
Compound: 5alpha-epoxyalantolactone
SMILES: [H][C@@]12C[C@@]3(C)CCC[C@H](C)[C@@]33O[C@H]3[C@]1([H])C(=C)C(=O)O2
Compound: trans-2,3-epoxydeca-4,6,8-triyn-1-ol
SMILES: CC#CC#CC#C[C@@H]1O[C@H]1CO
Compound: ergosterol peroxide
SMILES: [H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)\C=C\[C@H](C)C(C)C
Compound: (2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid
SMILES: O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1
Compound: Luvangetin
SMILES: COc1c2OC(C)(C)C=Cc2cc2ccc(=O)oc12
Compound: (2R)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid
SMILES: O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)Oc1cc(O)c2C(=O)C[C@@H](Oc2c1)c1ccc(O)c(O)c1
Compound: eriodictoyl-7-O-sophoroside
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1
Compound: erybraedin A
SMILES: [H][C@@]12COc3c(CC=C(C)C)c(O)ccc3[C@]1([H])Oc1c(CC=C(C)C)c(O)ccc21
Compound: erylatissin A
SMILES: COc1c(O)cc(cc1CC=C(C)C)-c1coc2cc(O)ccc2c1=O
Compound: erylatissin B
SMILES: CC1(C)Oc2c(O)cc(cc2C=C1)-c1coc2cc(O)ccc2c1=O
Compound: erylatissin C
SMILES: COc1c(O)cc(cc1CC=C(C)C)[C@@H]1CC(=O)c2ccc(O)cc2O1
Compound: esculeoside A
SMILES: [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@@]5(NC[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@@H]5OC(C)=O)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@@H](C2)O[C@]1([H])O[C@H](CO)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Compound: espicufolin
SMILES: CC[C@@H](C)c1cc(=O)c2c(CO)cc3C(=O)c4cccc(O)c4C(=O)c3c2o1
Compound: etnangien
SMILES: [H][C@]1(C[C@H](O)CCC[C@@H](C\C=C/C=C/C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O1)OC)[C@H](C)[C@H](O)\C=C(C)\C=C\C=C\C=C\C=C\C=C\C[C@H](O)\C=C(/C)CCC(O)=O
Compound: eucalyptal A
SMILES: [H][C@@]12[C@@H](CCC(=C)[C@]1(O)CC[C@]1(C)[C@H](CC(C)C)c3c(O)c(C=O)c(O)c(C=O)c3O[C@@H]21)C(C)=C
Compound: Lycaconitine
SMILES: CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14
Compound: eucalyptal B
SMILES: [H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CC[C@H]([C@@]21[H])C(C)(C)O
Compound: eucalyptal C
SMILES: [H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CCC(=C(C)C)[C@@]21[H]
Compound: Eunicea sesquiterpenoid 2
SMILES: [H][C@@]12CC[C@]3(C)[C@@H](O)CCC(=C)[C@@]3([H])[C@]1([H])OC(=O)[C@H]2C
Compound: Eunicea sesquiterpenoid 3
SMILES: [H][C@@]12OC(=O)[C@@H](C)[C@]1([H])CCC(=C)[C@@H](O)CC\C(C)=C\2
Compound: Eunicea sesquiterpenoid 5
SMILES: [H][C@]12[C@H](OC(=O)\C=C\C(C)(C)O)[C@@H](CC[C@]1(C)[C@@H](O)CCC2=C)C(C)=O
Compound: Eunicea sesquiterpenoid 6
SMILES: CC(=O)[C@@H]1CCC(=C)[C@@H](O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O
Compound: Eunicea sesquiterpenoid 7
SMILES: CC(=O)[C@@H]1CCC(=C)C(=O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O
Compound: 1S,6R-di(2-)methylbutanoyloxy-4S-hydroxy-8S-benzoyloxy-9R-(3-)furancarbonyloxy-13-acetyloxy-beta-dihydroagarofuran
SMILES: [H][C@]12[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccoc3)[C@]3(COC(C)=O)[C@H](CC[C@](C)(O)[C@@]3(OC1(C)C)[C@@H]2OC(=O)C(C)CC)OC(=O)C(C)CC
Compound: eupaheliangolide A
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@@](C)(O)\C=C\C(=O)\C(C)=C/2)OC(=O)C(\C)=C\C
Compound: 3-epi-heliangin
SMILES: [H][C@@]12C[C@@H](O)\C(C)=C\[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@@H](C[C@@]1(C)O2)OC(=O)C(\C)=C\C
Compound: Euphorbia diterpenoid 1
SMILES: [H][C@]12[C@@H](OC(=O)CCC)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1ccccc1
Compound: Euphorbia diterpenoid 2
SMILES: [H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1cccnc1
Compound: Euphorbia diterpenoid 3
SMILES: [H][C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]1(O)C(=O)[C@@]1(C)OC(C)(C)[C@@]3([H])C=C[C@@H](OC(C)=O)[C@@](COC(C)=O)([C@@H]2OC(C)=O)[C@]13[H]
Compound: euphornin L
SMILES: [H][C@@]12\C=C(C)\[C@@H](C[C@@H](OC(C)=O)C(C)(C)\C=C\[C@H](C)[C@@H](OC(C)=O)[C@]1(C[C@@H](C)[C@@H]2OC(=O)c1ccccc1)OC(C)=O)OC(C)=O
Compound: eurycomanone
SMILES: [H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@]4(O)OC[C@@]13[C@@](O)([C@@H](O)C(=O)O2)C(=C)[C@H]4O
Compound: eurysterol A
SMILES: [Na+].[H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]34CC[C@@H](C[C@]3(O)[C@H](O)C[C@@]21OC4)OS([O-])(=O)=O)[C@H](C)CCCC(C)C
Compound: eurysterol B
SMILES: [Na+].[H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]34CC[C@@H](C[C@]3(O)[C@H](O)C[C@@]21OC4)OS([O-])(=O)=O)[C@H](C)\C=C\CC(C)C
Compound: Lycocernuine
SMILES: C[C@@H]1C[C@@H]2C[C@@H]3CCCC(=O)N3[C@H]3CC[C@@H](O)[C@@H](C1)N23
Compound: evolvoid A
SMILES: C[C@](O)(CO)[C@@H](O)COC(=O)\C=C\c1ccc(OC[C@@](C)(O)[C@H](O)CO)c(O)c1
Compound: exiguaflavanone A
SMILES: [H][C@]1(CC(=O)c2c(O)cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O1)c1c(O)cccc1O
Compound: exiguaflavanone B
SMILES: C=1(C(C[C@@H](CC=C(C)C)C(C)=C)=C2O[C@H](C=3C(=CC=CC3O)O)CC(C2=C(O)C1)=O)OC
Compound: F390B
SMILES: COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2OC(C)=O
Compound: F390C
SMILES: COC(=O)[C@]12Oc3cc(CO)cc(O)c3C(=O)C1=CC=C[C@H]2O
Compound: fattiviracin A1
SMILES: CC(O)CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC1CC(=O)OC[C@H]2O[C@@H](OC(CCCCCCCCCCCCCC(CCCCCC(C)O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=O)OC[C@H]3O[C@@H](O1)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: FD-211
SMILES: C\C=C\C1OC(\C=C\C)C2=CC(O)C(=O)OC12
Compound: flavaspidic acid AB
SMILES: CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O
Compound: flavaspidic acid PB
SMILES: CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c1O
Compound: flavokawain B
SMILES: COc1cc(O)c(C(=O)\C=C\c2ccccc2)c(OC)c1
Compound: Lycoctonine
SMILES: CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14
Compound: fleephilone
SMILES: [H][C@]12OC(\C=C\C=C\C)=C3C4=CC(=O)C(C)(OC(=O)CC(C)O)C(=O)C4=CN(CC[C@@H]1O)[C@@]23[H]
Compound: floribundasaponin A
SMILES: [H][C@@]1(O[C@H]2CC[C@@]3(C)C(C2)=CC[C@]2([H])[C@]3([H])CC[C@@]3(C)[C@@]2([H])C[C@]2([H])O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@]32O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: fomitopinic acid A
SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3)[C@@H](CC[C@H](O)C(C)(C)O)C(O)=O
Compound: fomitoside E
SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]1([H])CC3)[C@@H](C\C=C\C(C)(C)O)C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Compound: fomitoside F
SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]1([H])CC3)[C@@H](CCC=C(C)C)C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Compound: (1S,3S,4R,7S,8S,11S,12S,13S,15R,20R)-7-formamido-20-isocyanoisocycloamphilectane
SMILES: [H][C@@]12C[C@H](C)[C@@]3([H])CC[C@](C)(NC=O)[C@@]4([H])CC[C@@]([H])([C@]1([H])[C@]34[H])[C@](C)([N+]#[C-])[C@H](C)C2
Compound: formobactin
SMILES: CCCCCCCCCC(OC(=O)[C@H](CCCCN(O)C=O)NC(=O)c1nc(oc1C)-c1ccccc1O)C(C)(C)C(=O)NC1CCCCN(O)C1=O
Compound: forskoditerpenoside C
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CCC(C)(C)[C@]2([H])[C@H](OC(C)=O)[C@H](O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3([H])[C@@]12C)C=C
Compound: forskoditerpenoside D
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CCC(C)(C)[C@]2([H])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3([H])[C@@]12C)C=C
Compound: forskoditerpenoside E
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CCC(C)(C)[C@]2([H])[C@@H](C[C@@]3(C)O[C@](C)(CC(=O)[C@]3([H])[C@@]12C)C=C)OC(C)=O
Compound: Lycodine
SMILES: C[C@@H]1C[C@H]2Cc3ncccc3[C@]3(C1)NCCC[C@H]23
Compound: 4849F
SMILES: COc1cccc2nnc3cccc(OC)c3c12
Compound: FR177391
SMILES: [H][C@@]1(O[C@@H]2CC\C(Cl)=C\C\C=C(C)/[C@@H](CC(=O)O[C@@H]1C2)OC(C)=O)[C@H](O)\C=C(/C)CC(O)=O
Compound: FR191512
SMILES: CC(Cc1cc(O)cc(O)c1C(O)=O)OC(=O)c1c(O)cc(O)cc1CC(C)OC(=O)c1c(O)cc(O)cc1CC(C)OC(=O)c1c(C)cc(O)cc1O
Compound: FR207944
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](C[C@]2(C)C3=C(CC[C@@]2([H])C1(C)C)[C@@]1(C)CC[C@](C)([C@H](C)C(C)C)[C@@H](C(O)=O)[C@]1(C)CC3)OC(C)=O
Compound: FR901463
SMILES: CC1CC(NC(=O)\C=C/C(C)OC(C)=O)C(C)OC1C\C=C(C)\C=C\C1O[C@](C)(O)C[C@@](O)(CCl)[C@@H]1O
Compound: FR901464
SMILES: C[C@H]1C[C@@H](NC(=O)\C=C/[C@H](C)OC(C)=O)[C@@H](C)O[C@H]1C\C=C(C)\C=C\[C@H]1O[C@](C)(O)C[C@@]2(CO2)[C@@H]1O
Compound: FR901465
SMILES: C[C@H]1C[C@@H](NC(=O)\C=C/[C@H](C)OC(C)=O)[C@@H](C)O[C@H]1C\C=C(C)\C=C\[C@H]1O[C@](C)(O)[C@H](O)[C@@]2(CO2)[C@@H]1O
Compound: FR901469 hydrochloride
SMILES: Cl.CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN)C(=O)O1
Compound: fucodiphloroethol G
SMILES: Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1
Compound: fukanemarin A
SMILES: CC(c1c(O)c2ccc(O)cc2oc1=O)C(\C)=C\C\C=C(/C)CC(=O)C=C(C)C
Compound: Lycofawcine
SMILES: C[C@H]1C[C@@]23[C@@H]4CCCN2CCC[C@]3(O)[C@H](C[C@H]4OC(C)=O)[C@@H]1O
Compound: fukanemarin B
SMILES: COc1ccc2c(O)c(C(C)C(\C)=C\C\C=C(/C)Cc3cc(C)co3)c(=O)oc2c1
Compound: fukanefuromarin A
SMILES: C[C@H]1c2c(O[C@]1(C)CCC\C(C)=C\C(=O)C=C(C)C)c1ccc(O)cc1oc2=O
Compound: fukanefuromarin B
SMILES: C[C@@H]1c2c(O[C@]1(C)CCC\C(C)=C\C(=O)C=C(C)C)c1ccc(O)cc1oc2=O
Compound: fukanefuromarin C
SMILES: C[C@H]1c2c(O[C@]1(C)CCC\C(C)=C/C(=O)C=C(C)C)c1ccc(O)cc1oc2=O
Compound: fukanefuromarin D
SMILES: C[C@@H]1c2c(O[C@]1(C)CCC\C(C)=C/C(=O)C=C(C)C)c1ccc(O)cc1oc2=O
Compound: fukanefuromarin E
SMILES: COc1ccc2c3O[C@@H](C)[C@](C)(CC\C=C(/C)Cc4cc(C)co4)c3c(=O)oc2c1
Compound: fukanefuromarin F
SMILES: COc1ccc2c3O[C@H](C)[C@](C)(CC\C=C(/C)Cc4cc(C)co4)c3c(=O)oc2c1
Compound: fukanefuromarin G
SMILES: COc1ccc2c3O[C@](C)(CC\C=C(/C)Cc4cc(C)co4)[C@H](C)c3c(=O)oc2c1
Compound: (2R*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin
SMILES: C[C@@H]1c2c(O[C@]1(C)CC\C=C(/C)CC(=O)C=C(C)C)c1ccc(O)cc1oc2=O
Compound: (2S*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]-furo[3,2-c]coumarin
SMILES: C[C@H]1c2c(O[C@]1(C)CC\C=C(/C)CC(=O)C=C(C)C)c1ccc(O)cc1oc2=O
Compound: Lycoflexine
SMILES: C[C@@H]1C[C@H]2CC(=O)[C@]34CCC[N@@](C3)CCC[C@]24C(=O)C1
Compound: (2S*,3R*)-2,3-dihydro-7-methoxy-2,3-dimethyl-2-[4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl]-furo[3,2-c]coumarin
SMILES: COc1ccc2c3O[C@](C)(CC\C=C(/C)Cc4cc(C)co4)[C@@H](C)c3c(=O)oc2c1
Compound: fumimycin
SMILES: C\C=C\c1c(O)c(O)cc2OC(=O)[C@](C)(NC(=O)\C=C\C(O)=O)c12
Compound: funalenone
SMILES: COC1=C(O)c2c(O)cc(C)c3c(O)cc(O)c(C1=O)c23
Compound: furanocandin
SMILES: [H][C@]1(O[C@@H](O[C@]2([H])[C@@H](CO)O[C@@H](Oc3c(O)cc(O)cc3CO)[C@H](O)[C@H]2OC(=O)\C=C\C=C\CC(O)\C=C\C=C\CCCCC)[C@H](O)[C@H]1O)[C@H](O)COC(=O)\C=C\C=C/CCC(O)CC
Compound: furowanin B
SMILES: CC(C)=CCc1c(O)c2c(occ(-c3ccc(O)c(O)c3)c2=O)c2CC(Oc12)C(C)(C)O
Compound: 19-(2-furyl)nonadeca-5,7-diynoic acid
SMILES: OC(=O)CCCC#CC#CCCCCCCCCCCCc1ccco1
Compound: futokadsurin A
SMILES: COc1cc(ccc1O)[C@@H]1O[C@@H]([C@@H](C)[C@@H]1C)c1ccc(OC)c(OC)c1
Compound: futokadsurin B
SMILES: COc1ccc(cc1OC)[C@@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc2OCOc2c1