MonarchInit/C3PO huggingface dataset:
Compound: Multigilin
SMILES: C\C=C(\C)C(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C
Compound: Dichotomide XII, (rel)-
SMILES: COC(=O)CC[C@H](N(C)C(=O)c1cc2c3ccccc3[nH]c2c(n1)C(C)=O)C(O)=O
Compound: Dichotomide XIII, (rel)-
SMILES: CCCCOC(=O)CC[C@H](NC(=O)c1cc2c3ccccc3[nH]c2c(n1)C(C)=O)C(O)=O
Compound: Dichotomide XIV
SMILES: CCCCOC(=O)[C@H](CCC(O)=O)NC(=O)c1cc2c3ccccc3[nH]c2c(n1)C(C)=O
Compound: dichotomine E
SMILES: OC(=O)c1cc2c3ccccc3[nH]c2c(O)n1
Compound: Stellarine A
SMILES: CC(=O)c1nc(cc2c3ccccc3[nH]c12)C(N)=O
Compound: Stellarine B
SMILES: COC(=O)\C=C/NC(=O)c1cc2c3ccccc3[nH]c2c(n1)C(C)=O
Compound: Glucodichotomine B
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H](CO)c1nc(cc2c3ccccc3[nH]c12)C(O)=O
Compound: 1-acetyl-3-methoxycarbonyl-beta-carboline
SMILES: COC(=O)c1cc2c3ccccc3[nH]c2c(n1)C(C)=O
Compound: Izumiphenazine A, (rel)-
SMILES: [H][C@@]12Oc3cc(C(O)=O)c4nc5cccc(O)c5nc4c3[C@]1([H])Cc1nc3cccc(O)c3nc1[C@H]2O
Compound: Izumiphenazine B
SMILES: [H][C@@]1(CC(=O)c2nc3c(O)cccc3nc2C1)c1c(O)cc(C(O)=O)c2nc3cccc(O)c3nc12
Compound: Multiradiatin
SMILES: C[C@H]1[C@@H]2C=CC(=O)[C@@]2(C)[C@@H](OC(=O)C=C(C)C)[C@H]2[C@H](OC(=O)C2=C)C1=O
Compound: Izumiphenazine C
SMILES: CN(c1ccc(cc1)C(O)=O)c1cccc2nc3c(O)cccc3nc12
Compound: phenazine-1,6-dicarboxylic acid
SMILES: C=1C=C2C(=C(C1)C(O)=O)N=C3C(C(=CC=C3)C(O)=O)=N2
Compound: Argutin A
SMILES: [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@@H](O)C[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O
Compound: Argutin B
SMILES: [H][C@@]12C[C@@H](O)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(=O)\C=C/C=C/CCCCC)OC(C)=O
Compound: Argutin C
SMILES: [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](O)[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O
Compound: Argutin D
SMILES: [H][C@@]12C[C@@H](O)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](OC(=O)\C=C/C=C/CCCCC)[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O
Compound: Argutin E
SMILES: [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13C[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O
Compound: Argutin F
SMILES: [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@@H](O)C[C@@H](C)[C@@]2(C)C[C@H](OO)C(=C)C=C)OC(C)=O
Compound: Argutin G
SMILES: [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](O)[C@H](O)[C@@H](C)[C@@]2(C)C[C@H](OO)C(=C)C=C)OC(C)=O
Compound: Argutin H
SMILES: [H][C@@]12C[C@@H](O)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](OC(=O)\C=C/C=C/CCCCC)[C@H](O)[C@@H](C)[C@@]2(C)C[C@H](OO)C(=C)C=C)OC(C)=O
Compound: Multistatin
SMILES: C\C=C(/C)C(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)C(=O)[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C
Compound: Candimine
SMILES: [H][C@]12OC(=O)c3c(OC)c4OCOc4cc3[C@@]1([H])[C@]1([H])N(C)CCC1=C[C@@H]2O
Compound: Actein
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)C[C@]6(O[C@H](O)[C@@]7(C)O[C@@]67[H])O[C@@]5([H])C[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C
Compound: 26-Deoxyactein
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)C[C@]6(OC[C@@]7(C)O[C@@]67[H])O[C@@]5([H])C[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C
Compound: 23-epi-26-deoxyactein
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)C[C@@]6(OC[C@@]7(C)O[C@@]67[H])O[C@@]5([H])C[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C
Compound: 23-O-acetylshengmanol 3-O-beta-D-xylopyranoside
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@@]([H])([C@H](C)C[C@@H](OC(C)=O)[C@]5([H])OC5(C)C)C(=O)[C@H](O)[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C
Compound: Cimiracemoside F
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)[C@@]6([H])OC(C)(C)[C@@H](O)[C@@]6(O)O[C@@]5([H])C[C@@]4(C)C2=CC[C@@]3([H])C1(C)C
Compound: Cimigenol 3-O-beta-D-xylopyranoside
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(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: Cimiracemoside D
SMILES: [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)[C@@H](C[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[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)OC(C)=O
Compound: 25-O-acetylcimigenol 3-O-alpha-L-arabinopyranoside
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(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)(C)OC(C)=O)O2
Compound: 25-O-anhydrocimigenol 3-O-alpha-L-arabinopyranoside
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(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)=C)O2
Compound: mupirocin
SMILES: C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
Compound: 25-O-anhydrocimigenol 3-O-beta-D-xylopyranoside
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(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)=C)O2
Compound: Cimiracemoside K
SMILES: [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)[C@@H](C[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[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)O2)OC(C)=O
Compound: 4'-O-methylgallocatechin
SMILES: COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@@H]1O
Compound: 4'-O-methylepigallocatechin
SMILES: COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O
Compound: 3'-O-methylepicatechin
SMILES: COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O
Compound: (-)-epicatechin-3-O-gallate
SMILES: Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1
Compound: 4'-O-methylepigallocatechin-3-O-gallate
SMILES: COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Compound: 4'-O-methylepicatechin-3-O-gallate
SMILES: COc1ccc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Compound: Epigallocatechin-3-O-ferulate
SMILES: COc1cc(\C=C\C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)ccc1O
Compound: 4'-O-methylepigallocatechin-3-O-ferulate
SMILES: COc1cc(\C=C\C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(OC)c(O)c2)ccc1O
Compound: 4',3''-di-O-methylapocynin-D
SMILES: COc1cc(ccc1O)[C@H]1CC(=O)Oc2c3C[C@H](O)[C@H](Oc3cc(O)c12)c1cc(O)c(OC)c(O)c1
Compound: 4',3''-di-O-methylapocynin-B
SMILES: COc1cc(ccc1O)[C@H]1CC(=O)Oc2cc(O)c3C[C@H](O)[C@H](Oc3c12)c1cc(O)c(OC)c(O)c1
Compound: aglaiabbreviatin A
SMILES: C[C@@]1(OC(=O)C=C1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
Compound: aglaiabbreviatin B
SMILES: CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@@]2(C)OC(=O)C=C2)C1(C)C
Compound: aglaiabbreviatin C
SMILES: CC(=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C
Compound: aglaiabbreviatin D
SMILES: C[C@@]12CC[C@@H]([C@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C)[C@]1(C)CC=CC(C)(C)O1
Compound: aglaiabbreviatin E
SMILES: CC(C)(O)\C=C\CC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
Compound: aglaiabbreviatin F
SMILES: CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@@](C)(O)C\C=C\C(C)(C)OO)C1(C)C
Compound: cabralealactone
SMILES: C[C@]1(CCC(=O)O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
Compound: cabraleahydroxylactone
SMILES: C[C@]1(CCC(=O)O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C
Compound: 2-amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranose
SMILES: C[C@@H](O[C@@H]1[C@@H](N)C(O)O[C@H](CO)[C@H]1O)C(O)=O
Compound: cabraleahydroxylactone acetate
SMILES: CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CCC(=O)O2)C1(C)C
Compound: ocotillone
SMILES: CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
Compound: cabraleadiol
SMILES: CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C
Compound: cabraleadiol monoacetate
SMILES: CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CC[C@H](O2)C(C)(C)O)C1(C)C
Compound: 20S,24S-dihydroxydammer-25-en-3-one
SMILES: CC(=C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
Compound: 24,25-dihydroxydammar-20-en-3-one
SMILES: CC(C)(O)C(O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
Compound: Nitropyrrolin A
SMILES: CC(C)=CCC\C(C)=C\CC[C@](C)(O)[C@H](O)Cc1c[nH]c(c1)[N+]([O-])=O
Compound: Nitropyrrolin B
SMILES: CC(C)=CCC\C(C)=C\CC[C@@]1(C)O[C@@H]1Cc1c[nH]c(c1)[N+]([O-])=O
Compound: Nitropyrrolin C
SMILES: CC(C)=CCC\C(C)=C\CC[C@@](C)(Cl)[C@H](O)Cc1c[nH]c(c1)[N+]([O-])=O
Compound: Nitropyrrolin D
SMILES: CC(C)=CCC\C(C)=C\C\C=C(/C)[C@H](O)Cc1c[nH]c(c1)[N+]([O-])=O
Compound: Nitropyrrolin E
SMILES: C\C(CC[C@@H](O)C(C)(C)O)=C/CC[C@@](C)(Cl)[C@H](O)Cc1c[nH]c(c1)[N+]([O-])=O
Compound: Epoxypholamin A
SMILES: [H][C@]12O[C@@]1(C[C@H]1C(C)=CC[C@@]3([H])[C@](C)(CO)CCC[C@]13C)[C@H](O)C=C(CO)C2=O
Compound: Epoxypholamin B
SMILES: [H][C@]12O[C@@]1(C[C@H]1C(C)=CC[C@@]3([H])[C@](C)(CO)CCC[C@]13C)[C@H](O)C=C(C)C2=O
Compound: Epoxypholamin C, (rel)-
SMILES: [H][C@]12O[C@@]1(C[C@H]1C(C)=CC[C@]3([H])[C@]1(C)CCC[C@@]3(C)C(O)=O)[C@@H](O)[C@@H](O)C(=C)[C@H]2O
Compound: Epoxypholamin D, (rel)-
SMILES: [H][C@]12O[C@@]1(C[C@H]1C(C)=CC[C@@]3([H])C(C)(C)CCC[C@]13C)[C@@H](O)[C@@H](O)C(=C)[C@H]2O
Compound: Epoxypholamin E, (rel)-
SMILES: [H][C@]12O[C@@]1(C[C@H]1C(C)=CC[C@]3([H])[C@]1(C)CCC[C@@]3(C)C(O)=O)C(O)C=C(C)C2O
Compound: Torrubiellone A, (cis)-
SMILES: CCC(CO)\C=C\C=C\C=C\C(=O)c1c(O)c(cn(O)c1=O)[C@@]1(O)CC[C@H](O)CC1
Compound: Torrubiellone B, (cis)-
SMILES: CCC(CO)\C=C\C=C\C=C\C(=O)c1c(O)c(c[nH]c1=O)[C@@]1(O)CC[C@H](O)CC1
Compound: Torrubiellone C
SMILES: CCC(CO)\C=C\C=C\C=C\C(=O)c1c(O)c(c[nH]c1=O)-c1ccc(O)cc1
Compound: Torrubiellone D
SMILES: CCC(CO)\C=C\C=C\C=C\C(O)=C1/C(=O)NC(Cc2ccc(O)cc2)C1=O
Compound: Musaroside
SMILES: CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C(=O)[C@@H](O)[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@@H]1O
Compound: Altechromone A
SMILES: Cc1cc(O)c2c(c1)oc(C)cc2=O
Compound: chloromonilicin
SMILES: C1=C(C=C2OC3=C([C@H](OC(C=C3Cl)=O)C(OC)=O)C(=O)C2=C1O)C
Compound: Coniochaeton A
SMILES: Cc1cc(O)c2c(c1)oc1CCC(=O)c1c2=O
Compound: Remisporin A
SMILES: COC(=O)[C@@]1(O)CCc2oc3cc(C)cc(O)c3c(=O)c12
Compound: Yungensin A
SMILES: CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C\C=C(/C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2C=CC(C)(C)Oc12
Compound: Yungensin B
SMILES: CCCCCC(=O)c1c(O)c(CC2=C(O)C(C)(C\C=C(/C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2C=CC(C)(C)Oc12
Compound: Yungensin C
SMILES: CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C\C=C(/C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2C=CC(C)(CCC=C(C)C)Oc12
Compound: Yungensin D
SMILES: CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c(CC2=C(O)C(C)(C\C=C(/C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c1O
Compound: Yungensin E
SMILES: CCCC(=O)c1c(O)c(C\C=C(/C)CCC=C(C)C)c(O)c(CC2=C(O)C(C)(C\C=C(/C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c1O
Compound: Yungensin F
SMILES: CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C\C=C(/C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c2OC(C)(C)C=Cc2c1O
Compound: Musca-aurin VII
SMILES: N[C@@H](CC1=C/[N+](=C\C=C2C[C@H](NC(=C/2)C(O)=O)C(O)=O)/C=N1)C([O-])=O
Compound: Camphoratin A, (rel)-
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@]1([H])C[C@@H]3O)[C@H](C)CCC(=C)C(C)C(O)=O
Compound: Camphoratin B
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@]1([H])C[C@@H]3O)[C@H](C)CCC(=C)C(C)C(O)=O
Compound: Camphoratin C
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@](C)(O)[C@]1([H])CC3=O)[C@H](C)CCC(=C)C(C)C(O)=O
Compound: Camphoratin D
SMILES: [H][C@@]1(CC[C@@]2(O)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])C[C@@H]3O)[C@H](C)CCC(=C)C(C)C(O)=O
Compound: Camphoratin E
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@]1([H])CC3=O)[C@H](C)CCC(=C)C(C)C(=O)OC
Compound: Camphoratin F
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])C[C@@H]3O)[C@H](C)CCC(=C)C(C)C(=O)OC
Compound: Camphoratin G
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])C[C@H]3O)[C@H](C)CCC(=C)C(C)C(O)=O
Compound: Camphoratin H
SMILES: [H][C@@]12CCC3=C(C(=O)C[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CCC(=O)[C@H]2C
Compound: Camphoratin I
SMILES: [H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)\C=C\[C@H](C)[C@H](C)CO)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2
Compound: Camphoratin J
SMILES: [H][C@@]1(CC[C@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C(=O)OC
Compound: Musca-aurin-I
SMILES: OC(=O)[C@@H](\N=C/C=C1C[C@H](NC(=C\1)C(O)=O)C(O)=O)c1cc(O)no1
Compound: zhankuic acid A methyl ester
SMILES: COC(=O)C(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O
Compound: antcin A
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)[C@H](C)C(O)=O
Compound: antcin C
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])C[C@@H]3O)[C@H](C)CCC(=C)[C@H](C)C(O)=O
Compound: antcin K
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@](C)(O)[C@]1([H])C[C@@H]3O)[C@H](C)CCC(=C)C(C)C(O)=O
Compound: methyl antcinate H
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@]1([H])CC3=O)[C@H](C)CCC(=C)C(C)C(=O)OC
Compound: eburicol
SMILES: C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2(C([C@H](C1)O)(C)C)[H])(CC[C@@]4([C@H](C)CCC(C(C)C)=C)[H])C)C)C
Compound: Ergosterol D
SMILES: [H][C@@]12CC=C3C(=CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)\C=C\[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C2
Compound: methyl 4alpha-methylergost-8,24(28)-diene-3,11-dion-26-oate
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C(=O)OC
Compound: ipomotaoside A
SMILES: CCCCCCCCCCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]5O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]4[C@@H]3O)[C@H](O)[C@@H]2OC(=O)CCCCCCCCC)[C@H](OC(=O)\C=C\c2ccccc2)[C@@H]1O
Compound: ipomotaoside B
SMILES: CCCCCCCCCCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]5O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]4[C@@H]3O)[C@H](OC(=O)CCCCCCCCCCC)[C@@H]2O)[C@H](OC(=O)\C=C\c2ccccc2)[C@@H]1O
Compound: Musca-aurin-II
SMILES: OC(=O)[C@H](Cc1cc(oc(=O)c1)C(O)=O)\N=C/C=C1C[C@H](NC(=C\1)C(O)=O)C(O)=O
Compound: ipomotaoside C
SMILES: CCCCCCCCCCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]5O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]3[C@H]4O)[C@H](OC(=O)CCCCCCCCC)[C@@H]2O)[C@H](OC(=O)\C=C\c2ccccc2)[C@@H]1O
Compound: ipomotaoside D
SMILES: CCCCCCCCCCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]5O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]3[C@H]4O)[C@H](O)[C@@H]2OC(=O)CCCCCCCCC)[C@H](OC(=O)\C=C\c2ccccc2)[C@@H]1O
Compound: Operculinic acid C
SMILES: [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@H]2[C@H](C)O[C@@]([H])(O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]3O[C@@H](CCCCC)CCCCCCCCCC(O)=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O
Compound: 32-hydroxy-ent-guttiferone M
SMILES: CC(C)=CC[C@H](O)C(\C)=C\C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O
Compound: 6-epi-guttiferone J
SMILES: CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1cccc(O)c1)=C2O
Compound: 6-epi-clusianone, (rel)-
SMILES: CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C
Compound: guttiferone A, (rel-(+))-
SMILES: CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O
Compound: xanthochymol
SMILES: CC(=C)CC[C@H](C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(C)=C
Compound: guttiferone E
SMILES: CC(C)=CC[C@H](C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(C)=C
Compound: isoxanthochymol
SMILES: CC(C)=CC[C@@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O
Compound: Muscapurpurin
SMILES: OC(=O)[C@@H]1CC(=C\C=[N+]2/[C@@H](Cc3cc(oc(=O)c23)C(O)=O)C([O-])=O)/C=C(N1)C(O)=O
Compound: (+)-volkensiflavone
SMILES: Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
Compound: (+)-morelloflavone
SMILES: Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
Compound: 7-nor-ergosterolide
SMILES: CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C(=O)O3
Compound: 3beta,11alpha-dihydroxyergosta-8,24(28)-dien-7-one
SMILES: CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3=O
Compound: 3beta-hydroxyergosta-8,24(28)-dien-7-one
SMILES: CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3=O
Compound: (22E,24R)-3beta,5alpha,9alpha-trihydroxyergosta-7,22-dien-6-one
SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
Compound: (22E,24R)-3beta,5alpha-dihydroxyergosta-7,22-dien-6-one
SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: (22E,24R)-ergosta-7,22-diene-3beta,6beta-diol
SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: (22E,24R)-ergosta-5alpha,6alpha-epoxide-8,22-diene-3beta,7alpha-diol
SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@]11O[C@H]1[C@H]3O
Compound: Muscarine
SMILES: C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Compound: Hirsutalin A
SMILES: [H][C@]12CC(=C)[C@@H](O)CC[C@@](C)(OC(=O)[C@H](O)CC)[C@]([H])(O1)[C@]1([H])[C@]([H])(CC=C(C)[C@]21[H])[C@@H](C)COC(=O)CCC
Compound: Hirsutalin B, (rel)-
SMILES: [H][C@]12CC(=C)[C@@H](O)C[C@H](OC(=O)C(CC)OC(=O)CCC)[C@@](C)(O)[C@]([H])(O1)[C@]1([H])[C@]([H])(CCC(=C)[C@]21[H])[C@@H](C)COC(C)=O
Compound: Hirsutalin C, (rel)-
SMILES: [H][C@]12CC(=C)[C@@H](O)CC[C@@](C)(OC(=O)C(CC)OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]([H])(CCC(=C)[C@]21[H])[C@@H](C)CO
Compound: Hirsutalin D, (rel)-
SMILES: [H][C@]12CC(=C)[C@@H](O)CC[C@@](C)(OC(=O)C(CC)OC(C)=O)[C@]([H])(O1)[C@]1([H])[C@]([H])(CCC(=C)[C@]21[H])[C@@H](C)CO
Compound: Hirsutalin E
SMILES: [H][C@]12C[C@](C)(O)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]([H])(CC=C(C)[C@]21[H])C(C)C
Compound: Hirsutalin F
SMILES: [H][C@]12CC[C@@](C)(OC(=O)C(CC)OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]([H])(CCC(=C)[C@]1([H])C(=O)C[C@@]2(C)O)[C@@H](C)CO
Compound: Hirsutalin G, (rel)-
SMILES: [H][C@]12C\C(C)=C\C[C@H](OC(C)=O)[C@@](C)(O)[C@]([H])(O1)[C@]1([H])[C@]([H])(CC=C(C)[C@]21[H])[C@@H](C)CO
Compound: Hirsutalin H, (rel)-
SMILES: [H][C@]12C[C@](C)(O)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]([H])(CCC(=C)[C@]21[H])[C@@H](C)COC(C)=O
Compound: Bussealin A
SMILES: COc1ccc(CCCc2cc(O)c(OC)c(O)c2)c(O)c1O
Compound: Bussealin B
SMILES: COc1cc(OC)c(CCCc2ccc(OC)c(O)c2O)cc1O
Compound: muscimol
SMILES: NCc1cc(=O)[nH]o1
Compound: Bussealin C
SMILES: COc1ccc(CCCc2ccc(OC)c(O)c2O)cc1O
Compound: Bussealin D
SMILES: COc1ccc(CCCc2cc(OC)c(OC)cc2OC)c(O)c1O
Compound: Bussealin E
SMILES: COc1c(O)c2CCCc3cc(O)c(OC)c4oc(c1OC)c2c34
Compound: Apiole
SMILES: COc1cc(CC=C)c(OC)c2OCOc12
Compound: allyltetramethoxybenzene
SMILES: COc1cc(CC=C)c(OC)c(OC)c1OC
Compound: Eriocatisin A
SMILES: [H][C@]12CC(=O)[C@@]34[C@H](O)C[C@@H](C[C@@]3([H])[C@]1(C)CCC[C@@]2(C)COC(C)=O)C(=C)[C@H]4O
Compound: Eriocasin B, (rel)-
SMILES: [H][C@]12[C@H](O)C(=O)C3=C(CC[C@H](C3)C(=C)C=O)[C@]1(C)CC[C@@H](O)C2(C)C
Compound: Eriocasin C
SMILES: [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)CC[C@H](O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O
Compound: Eriocasin D
SMILES: [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)[C@@H](O)CC[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O
Compound: 3-acetyleriocasin C, (rel)-
SMILES: [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O
Compound: Musennin
SMILES: CC1(C)CC[C@@]2([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](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Compound: 3beta-Acetoxyeriocasin D
SMILES: [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O
Compound: Eriocasin E
SMILES: [H][C@@]12C[C@@H](C[C@@H](OC(C)=O)[C@@]1([H])[C@]1(C)CCCC(C)(C)[C@@]1([H])[C@H](O)C2=O)C(=C)CO
Compound: Maoesin A, (rel)-
SMILES: [H][C@]12C[C@H]3O[C@H](O)[C@]4([H])[C@@](C)(CC[C@@]5([H])OC(=O)[C@](C1)(C(=O)C2=C)[C@]3([H])[C@@]45CO)COC(C)=O
Compound: 3alpha-Acetoxymaoesin A, (rel)-
SMILES: [H][C@]12C[C@H]3O[C@H](O)[C@]4([H])[C@](C)(COC(C)=O)[C@@H](C[C@@]5([H])OC(=O)[C@](C1)(C(=O)C2=C)[C@]3([H])[C@@]45CO)OC(C)=O
Compound: Maoesin B, (rel)-
SMILES: [H][C@@]12CC[C@@]3([H])[C@@]45CO[C@@](O)([C@H](O)[C@]4([H])[C@@](C)(CC[C@H]5O)COC(C)=O)[C@]3(C1)[C@H](O)C2=C
Compound: Maoesin C
SMILES: [H][C@@]12C[C@@H](O)[C@@]3([H])[C@]45CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@](O)(OC5)[C@]3(C1)C(=O)C2=C
Compound: Maoesin D
SMILES: [H][C@@]12C[C@@]3(C(=O)C1=C)[C@@]([H])(C=C2)[C@]12CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)[C@]3(O)OC2
Compound: Maoesin E, (rel)-
SMILES: [H][C@@]12CC[C@@]3([H])[C@]4(C)[C@@H](O)CC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](OC(C)=O)C(=O)[C@]3(C1)[C@H](O)C2=C
Compound: 3alpha,6beta-dihydroxy-7,17-dioxo-ent-abieta-15(16)-ene
SMILES: [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)CC[C@@H](O)C(C)(C)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O
Compound: Maoesin F
SMILES: [H][C@@]12CC[C@@H]3C[C@]1([C@H](OC(C)=O)C3=C)C(=O)OC[C@]21CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@H]1C=O
Compound: Mutatochrome
SMILES: CC(/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C1OC2(C)CCCC(C)(C)C2=C1
Compound: maoecrystal J
SMILES: [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O
Compound: longikaurin C
SMILES: [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22CCC[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O
Compound: effusanin D
SMILES: [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22[C@H](CC[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O)OC(C)=O
Compound: maoecrystal R
SMILES: [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22[C@@H](CC[C@](C)(COC(C)=O)[C@@]2([H])[C@@H]1OC(C)=O)OC(C)=O
Compound: kamebacetal A
SMILES: [H][C@]12CC[C@]3([H])[C@]([C@@H]1O)([C@H]1C[C@]4([H])C(C)(C)CC[C@H](O)[C@@]34[C@@H](OC)O1)C(=O)C2=C
Compound: henryin
SMILES: [H][C@]12CC[C@@]3([H])[C@]4(COC(C)=O)[C@@H](O)CCC(C)(C)[C@@]4([H])C[C@@H](O)[C@]3([C@@H]1O)C(=O)C2=C
Compound: Maoecrystal M
SMILES: [H][C@@]12CC[C@@]3([H])[C@]45CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)[C@]21CC[C@]11C(=O)[C@]23C[C@@]1([H])CC[C@@]2([H])[C@]12CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)[C@@]3(O)OC2
Compound: Enmein
SMILES: [H][C@]12C[C@H](O)C(C)(C)[C@@]3([H])[C@H](O)OC[C@@]13[C@]1([H])CC[C@@H]3C[C@@]1(C(=O)O2)C(=O)C3=C
Compound: Nodosin
SMILES: [H][C@]12CCC(C)(C)[C@@]3([H])[C@H](O)OC[C@@]13[C@]1([H])[C@H](O)C[C@@H]3C[C@@]1(C(=O)O2)C(=O)C3=C
Compound: Mycosinol
SMILES: CC#CC#C\C=C1OC2(OC=CC2O)C=C\1
Compound: Xerophilusin H
SMILES: [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22[C@H](O)CC[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O
Compound: entkaurane-3beta,16beta-diol
SMILES: [H][C@]12CC[C@@]34C[C@H](CC[C@@]3([H])[C@]1(C)CC[C@H](O)C2(C)C)[C@](C)(O)C4
Compound: 3-acetyltrichorabdal C
SMILES: [H][C@@]12CC[C@@]3([H])[C@@]4(CC[C@H](O)[C@@](C)(COC(C)=O)[C@H]4C=O)C(OC(=O)[C@]3(C1)C(=O)C2=C)C(C)=O
Compound: coetsin B
SMILES: [H][C@@]12C[C@@H](O)[C@@]3([H])[C@@]4(CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@H]4C=O)COC(=O)[C@]3(C1)C(=O)C2=C
Compound: rabdosichuanin A
SMILES: [H][C@@]12C[C@H](O)[C@@]3([H])[C@]4(COC(=O)[C@]3(C1)C(=O)[C@@H]2C)[C@H](CCC(C)(C)[C@H]4C=O)OC(C)=O
Compound: Ludongnin F
SMILES: [H][C@@]12CC[C@@]3([H])[C@@]4(CCC[C@@]5(C)CO[C@@H](OC)[C@@]45[H])COC(=O)[C@]3(C1)C(=O)[C@@H]2C
Compound: Ludongnin G
SMILES: [H][C@@]12CC[C@@]3([H])[C@@]4(CCC[C@@]5(C)CO[C@@H](OC)[C@@]45[H])COC(=O)[C@]3(C1)C(=O)[C@H]2C
Compound: Ludongnin H
SMILES: [H][C@@]12CC[C@@]3([H])[C@@]4(CCC[C@@]5(C)CO[C@H](OC)[C@@]45[H])COC(=O)[C@]3(C1)C(=O)[C@H]2C
Compound: Ludongnin I
SMILES: [H][C@@]12CC[C@@]3([H])[C@@]4(CCC[C@@]5(C)CO[C@H](OC)[C@@]45[H])COC(=O)[C@]3(C1)C(=O)[C@@H]2C
Compound: Sculponeatin C
SMILES: [H][C@@]12C[C@@H](O)[C@@]3([H])[C@]4(COC(=O)[C@]3(C1)C(=O)C2=C)[C@@H]1CC[C@@]2(C)CO[C@H](O1)[C@@]42[H]
Compound: Mycosporine
SMILES: COC1=C(C[C@@](O)(CO)CC1=O)NC(CO)CO
Compound: Lagunamide A
SMILES: CC[C@H](C)[C@@H]1OC(=O)[C@H](C)N(C)C(=O)[C@@H](NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@H](OC(=O)\C(C)=C\C[C@H](O)[C@@H]1C)[C@@H](C)CC)[C@H](C)CC
Compound: Lagunamide B
SMILES: CC[C@@H](C)[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@H](OC(=O)\C(C)=C\C[C@H](O)[C@H](C)[C@@H](OC(=O)[C@H](C)N(C)C1=O)C(\C)=C\C)[C@@H](C)CC
Compound: hyperione A, (rel)-
SMILES: O=C([C@H]1CO[C@H](C1)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Compound: hyperione B, (rel)-
SMILES: O=C([C@H]1CO[C@@H](C1)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Compound: aspidinol C
SMILES: COc1cc(O)c(C(=O)CC(C)C)c(O)c1C
Compound: Aspidinol D
SMILES: CCC(C)C(=O)c1c(O)cc(OC)c(C)c1O
Compound: hyperaspidinol A
SMILES: COc1c(C)c(O)c(C(=O)CC(C)C)c2OC3(O[C@@H](C[C@@H]3Cc12)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Compound: hyperaspidinol B
SMILES: [H][C@]12C[C@H](OC1(Oc1c(C2)c(OC)c(C)c(O)c1C(=O)C(C)CC)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Compound: hyperidixanthone
SMILES: COc1c(O)c2oc3ccccc3c(=O)c2c(c1OC)-c1c(OC)c(OC)c(O)c2oc3ccccc3c(=O)c12
Compound: meleagrine
SMILES: CON1c2ccccc2[C@]2(C=C(O)C(=O)N3\C(=C\c4c[nH]cn4)C(=O)N[C@]123)C(C)(C)C=C
Compound: oxaline
SMILES: CON1c2ccccc2[C@]2(C=C(OC)C(=O)N3\C(=C\c4c[nH]cn4)C(=O)N[C@]123)C(C)(C)C=C
Compound: (E)-1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
SMILES: C\C=C\CCCCC(=O)C(C)C(=O)N1CCC=C1
Compound: 1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione
SMILES: CCCCCCCC(=O)C(C)C(=O)N1CCC=C1
Compound: citrinalin A
SMILES: [H][C@@]12CCC[NH+]1C[C@@]1(C[C@]3(C(=O)Nc4c5C(=O)CC(C)(C)Oc5ccc34)C(C)(C)[C@@]1([H])C2)[N+]([O-])=O
Compound: citrinalin B
SMILES: CC1(C)[C@H]2C[C@@H]3CCCN3C[C@]2(C[C@]11C(=O)Nc2c1ccc1OC(C)(C)CC(=O)c21)[N+]([O-])=O
Compound: 1-hydroxyprotostemonine, (rel)-
SMILES: [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@@H](O)[C@]2([H])N1CCC[C@@]1([H])O\C([C@@H](C)[C@]21[H])=C1OC(=O)C(C)=C/1OC
Compound: stemocurtisine N-oxide
SMILES: [H][C@]12[C@H](C)\C(O[C@]11CCC[N+]3([O-])CCC[C@@H](O1)[C@@]23[H])=C1OC(=O)C(C)=C\1OC
Compound: stemofuran L
SMILES: COc1cc(c(C)c(O)c1C)-c1cc2ccccc2o1
Compound: stemofuran F
SMILES: COc1c(C)c(O)c(C)c(c1C)-c1cc2c(O)cccc2o1
Compound: stemofuran J
SMILES: COc1cc(c(C)c(OC)c1C)-c1cc2c(O)cccc2o1
Compound: stemofuran K
SMILES: COc1c(C)c(O)c(C)c(c1C)-c1cc2ccccc2o1
Compound: dehydro-gamma-tocopherol
SMILES: CC(C)CCCC(C)CCCC(C)CCCC1(C)Oc2c(C)c(C)c(O)cc2C=C1
Compound: 1',2'-didehydrostemofoline
SMILES: [H][C@]12C[C@]3([H])N4CC[C@@]([H])([C@]5(O\C([C@@H](C)[C@]35[H])=C3OC(=O)C(C)=C/3OC)O1)[C@@]24\C=C\CC
Compound: 1,2-dehydro-2,3-secofriedelan-3-oic acid
SMILES: C[C@@H](C(O)=O)[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1C=C
Compound: 1beta-hydroxyfriedelin
SMILES: C[C@H]1C(=O)C[C@@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C
Compound: 3beta-hydroxyfriedelan-23-oic acid
SMILES: CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](CC(O)=O)[C@@H](O)CC[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1
Compound: friedelin-3,4-lactone
SMILES: C[C@H]1OC(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: acetyl aleuritolic acid
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@@]4(CC=C32)C(O)=O)C1(C)C
Compound: 4-hydroxy-5-propionyl-1,3-di-O-methylpyrogallol
SMILES: CCC(=O)c1cc(OC)c(O)c(OC)c1O
Compound: 2-amino-4-formylaminooxy-but-3E-enoic acid
SMILES: N[C@@H](\C=C\ONC=O)C(O)=O
Compound: O2-natafuranamine
SMILES: [H][C@@]12C[C@H](OC(C)=O)[C@@]3([H])[C@]4(C)CO[C@@H]([C@@H]4NC(=O)c4ccccc4)[C@@]4([H])O[C@@]34CC1=CC[C@]1(C)[C@]([H])([C@H](O)C[C@@]21C)[C@H](C)N(C)C
Compound: O10-natafuranamine
SMILES: [H][C@@]12C[C@H](O)[C@@]3([H])[C@]4(C)CO[C@@]3(CC1=CC[C@]1(C)[C@]([H])([C@H](O)C[C@@]21C)[C@H](C)N(C)C)C=C[C@@H]4NC(=O)c1ccccc1
Compound: cyclonataminol
SMILES: [H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])C=C[C@@]4([H])C(C)(C)[C@H]([C@H](O)C[C@@]44C[C@@]34CC[C@]12C)N(C)C)[C@H](C)N(C)C
Compound: 31-demethylbuxaminol
SMILES: [H][C@@]12CC[C@]3([H])C(=CC[C@]4(C)[C@]([H])([C@H](O)C[C@@]34C)[C@H](C)N(C)C)C=C1CC[C@@H]([C@@H]2C)N(C)C
Compound: buxaminol A
SMILES: [H][C@@]12CC[C@]3([H])C(=CC[C@]4(C)[C@]([H])([C@H](O)C[C@@]34C)[C@H](C)N(C)C)C=C1CC[C@H](N(C)C)C2(C)C
Compound: (+)-buxafuranamide
SMILES: [H][C@@]12C[C@]3([H])C(C[C@]4(O)C=C[C@H](NC(=O)c5ccccc5)[C@@](C)(CO1)[C@]24[H])=CC[C@]1(C)[C@@]([H])([C@H](C)N(C)C)[C@@H](C[C@@]31C)OC(C)=O
Compound: Buxalongifolamidine
SMILES: [H][C@@]12CC[C@@]3([H])[C@](C)(CO)[C@@H](NC(=O)c4ccccc4)C=C[C@]3(O)CC1=CC[C@]1(C)[C@@]([H])([C@H](C)N(C)C)[C@@H](C[C@@]21C)OC(C)=O
Compound: Buxamine A
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])C(CC[C@H](N(C)C)C4(C)C)=CC3=CC[C@]12C)[C@H](C)N(C)C
Compound: Cyclobuxophylline K
SMILES: [H][C@@]12CC[C@@]3([H])[C@]4(C)CC(=O)\C(=C\C)[C@@]4(C)CC[C@]33C[C@]13CC[C@H](N(C)C)C2(C)C
Compound: (+)-buxaminol C
SMILES: [H][C@@]12CC[C@]3([H])C(=CC[C@]4(C)[C@]([H])([C@H](O)C[C@@]34C)[C@H](C)N(C)C)C=C1CC[C@H](NC)C2(C)C
Compound: p-coumaroylputrescine
SMILES: NCCCCNC(=O)\C=C\c1ccc(O)cc1
Compound: platyconic acid B lactone
SMILES: [H][C@@]1(OC[C@H]2O[C@@]([H])(O[C@H]3[C@@H]4C[C@@]5(C)[C@@]([H])(CC[C@]6(C)[C@]5([H])CC=C5[C@]7([H])CC(C)(C)CC[C@@]7([C@H](O)C[C@@]65C)C(=O)O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@]5([H])O[C@@H](C)[C@H](O[C@]6([H])OC[C@@H](O)[C@H](O[C@]7([H])OC[C@](O)(CO)[C@H]7O)[C@H]6O)[C@@H](O)[C@H]5O)[C@]3(CO)C(=O)O4)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: deapio-platyconic acid B lactone
SMILES: [H][C@@]1(OC[C@H]2O[C@@]([H])(O[C@H]3[C@@H]4C[C@@]5(C)[C@@]([H])(CC[C@]6(C)[C@]5([H])CC=C5[C@]7([H])CC(C)(C)CC[C@@]7([C@H](O)C[C@@]65C)C(=O)O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@]5([H])O[C@@H](C)[C@H](O[C@]6([H])OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O)[C@]3(CO)C(=O)O4)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: deapio-platycodin D2
SMILES: [H][C@]1(O[C@@H](C)[C@]([H])(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@H](O)[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)C(CO)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O
Compound: Platyconic acid A
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O[C@]2([H])OC[C@](O)(CO)[C@H]2O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](CO)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](O)[C@@H]1O
Compound: platycodin D
SMILES: [H][C@]1(O[C@@H](C)[C@]([H])(O[C@@H]2OC[C@@H](O)[C@]([H])(O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@H](O)[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(CO)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O
Compound: 3''O-acetylplatycodin 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[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4([C@H](O)C[C@@]32C)C(=O)O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@]2([H])O[C@@H](C)[C@]([H])(O[C@@H]3OC[C@@H](O)[C@]([H])(O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)[C@@H](OC(C)=O)[C@H]2O)C1(CO)CO
Compound: 2''O-acetylplatycodin 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[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4([C@H](O)C[C@@]32C)C(=O)O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@]2([H])O[C@@H](C)[C@]([H])(O[C@@H]3OC[C@@H](O)[C@]([H])(O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2OC(C)=O)C1(CO)CO
Compound: platycodin D2
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)O[C@@]([H])(O[C@H]2[C@@H](O)C[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5([C@H](O)C[C@@]43C)C(=O)O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@]3([H])O[C@@H](C)[C@]([H])(O[C@@H]4OC[C@@H](O)[C@]([H])(O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)C2(CO)CO)[C@@H]1O
Compound: polygalacin 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[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4([C@H](O)C[C@@]32C)C(=O)O[C@@H]2OC[C@H](O)[C@H](O)[C@@]2([H])O[C@@H]2O[C@@H](C)[C@]([H])(O[C@@H]3OC[C@@H](O)[C@]([H])(O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@]1(C)CO
Compound: 3''O-acetylpolygalacin 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[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4([C@H](O)C[C@@]32C)C(=O)O[C@@H]2OC[C@H](O)[C@H](O)[C@@]2([H])O[C@@H]2O[C@@H](C)[C@]([H])(O[C@@H]3OC[C@@H](O)[C@]([H])(O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)[C@@H](OC(C)=O)[C@H]2O)[C@@]1(C)CO
Compound: 2''O-acetylpolygalacin 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[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4([C@H](O)C[C@@]32C)C(=O)O[C@@H]2OC[C@H](O)[C@H](O)[C@@]2([H])O[C@@H]2O[C@@H](C)[C@]([H])(O[C@@H]3OC[C@@H](O)[C@]([H])(O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2OC(C)=O)[C@@]1(C)CO
Compound: polygalacin D2
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)O[C@@]([H])(O[C@H]2[C@@H](O)C[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5([C@H](O)C[C@@]43C)C(=O)O[C@@H]3OC[C@H](O)[C@H](O)[C@@]3([H])O[C@@H]3O[C@@H](C)[C@]([H])(O[C@@H]4OC[C@@H](O)[C@]([H])(O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@@]2(C)CO)[C@@H]1O
Compound: 3''O-acetylpolygalacin D2
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)O[C@@]([H])(O[C@H]2[C@@H](O)C[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5([C@H](O)C[C@@]43C)C(=O)O[C@@H]3OC[C@H](O)[C@H](O)[C@@]3([H])O[C@@H]3O[C@@H](C)[C@]([H])(O[C@@H]4OC[C@@H](O)[C@]([H])(O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@H]4O)[C@@H](OC(C)=O)[C@H]3O)[C@@]2(C)CO)[C@@H]1O
Compound: 2''O-acetylpolygalacin D2
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)O[C@@]([H])(O[C@H]2[C@@H](O)C[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5([C@H](O)C[C@@]43C)C(=O)O[C@@H]3OC[C@H](O)[C@H](O)[C@@]3([H])O[C@@H]3O[C@@H](C)[C@]([H])(O[C@@H]4OC[C@@H](O)[C@]([H])(O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3OC(C)=O)[C@@]2(C)CO)[C@@H]1O
Compound: deapio-platycodin D
SMILES: [H][C@]1(O[C@@H](C)[C@]([H])(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@H](O)[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(CO)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O
Compound: platycodin D3
SMILES: [H][C@]1(O[C@@H](C)[C@]([H])(O[C@@H]2OC[C@@H](O)[C@]([H])(O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@H](O)[C@H](O[C@]5([H])O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C(CO)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O
Compound: deapio-platycodin D3
SMILES: [H][C@]1(O[C@@H](C)[C@]([H])(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@H](O)[C@H](O[C@]5([H])O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C(CO)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O
Compound: platycoside E
SMILES: [H][C@]1(O[C@@H](C)[C@]([H])(O[C@@H]2OC[C@@H](O)[C@]([H])(O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@H](O)[C@H](O[C@]5([H])O[C@H](CO[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C(CO)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O
Compound: deapioplatycoside E
SMILES: [H][C@]1(O[C@@H](C)[C@]([H])(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@H](O)[C@H](O[C@]5([H])O[C@H](CO[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C(CO)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O
Compound: polygalacin D3
SMILES: [H][C@]1(O[C@@H](C)[C@]([H])(O[C@@H]2OC[C@@H](O)[C@]([H])(O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@H](O)[C@H](O[C@]5([H])O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O
Compound: Yungensin G
SMILES: CCCC(=O)c1c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)CCC)c2O)c(O)c(CC2=C(O)C(C)(C\C=C(/C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c1O
Compound: Dillapiole
SMILES: COc1c(CC=C)cc2OCOc2c1OC
Compound: 2'''-episilvestrol
SMILES: [H][C@@]1(CO[C@H](OC)[C@H](Oc2cc(OC)c3c(O[C@]4([C@@H]([C@H]([C@@H](O)[C@@]34O)C(=O)OC)c3ccccc3)c3ccc(OC)cc3)c2)O1)[C@H](O)CO
Compound: 2''',5'''-diepisilvestrol
SMILES: [H][C@@]1(CO[C@H](OC)[C@H](Oc2cc(OC)c3c(O[C@]4([C@@H]([C@H]([C@@H](O)[C@@]34O)C(=O)OC)c3ccccc3)c3ccc(OC)cc3)c2)O1)[C@@H](O)CO
Compound: 17,24-epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one
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(O)CC[C@H](O[C@]21[H])C(C)(C)O
Compound: rel-20R,24S-epoxy-25-hydroxy-A-homo-4-oxadammaran-3-one
SMILES: [H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@]3(C)CCC(=O)OC(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CC[C@H](O1)C(C)(C)O
Compound: 20S,24S-epoxy-25-hydroxy-A-homo-4-oxadammaran-3-one
SMILES: [H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@]3(C)CCC(=O)OC(C)(C)[C@]3([H])CC[C@@]21C)[C@]1(C)CC[C@H](O1)C(C)(C)O
Compound: 4,6-Diene-1beta,14-dihydroxyeudesma-3-one
SMILES: CC(C)C1=CC2=C(CO)C(=O)C[C@@H](O)[C@]2(C)CC1
Compound: 17,24-epoxy-25-hydroxybaccharan-3-one
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(C)CC[C@H](O[C@]21[H])C(C)(C)O
Compound: 17,24-epoxy-25-hydroxy-21-methoxy-3,4-secobaccharane
SMILES: [H][C@]12CC[C@]3([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@H](O[C@]21[H])C(C)(C)O)C(=O)OC)C(C)(C)O
Compound: eichlerianic acid
SMILES: [H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C)[C@]1(C)CC[C@H](O1)C(C)(C)O
Compound: cabraleone
SMILES: CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
Compound: foveolin A
SMILES: [H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)(C)O)[C@]1(C)CC[C@H](O1)C(C)(C)O
Compound: methyl foveolate A
SMILES: [H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@](C)(CCC(=O)OC)[C@@H](CC[C@@]21C)C(C)(C)O)[C@]1(C)CC[C@@H](O1)C(C)(C)O
Compound: (-)-dehydrodiconiferyl alcohol
SMILES: C1=C(C=C2C(=C1OC)O[C@H]([C@@H]2CO)C3=CC=C(C(=C3)OC)O)/C=C/CO
Compound: 3-oxo-15-hydroxy-T-muurolol
SMILES: [H][C@@]12C=C(CO)C(=O)C[C@]1([H])[C@@](C)(O)CC[C@H]2C(C)C
Compound: citrusoside A
SMILES: CC(C)O[C@@H]1O[C@H](COC(=O)\C=C\C[C@H](C)CCC=C(C)C)[C@@H](O)[C@H](O)[C@H]1O
Compound: citrusoside B
SMILES: CC(C)O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O[C@H](CC\C(C)=C\COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]1O
Compound: citrusoside C
SMILES: CC(C)O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]1O
Compound: citrusoside D
SMILES: CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)CC(C)(O)CC(=O)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@H]1O
Compound: (+)-oxypeucedanin
SMILES: CC1(C)O[C@@H]1COc1c2ccoc2cc2oc(=O)ccc12
Compound: (R)-(+)-6'-hydroxy-7'-methoxybergamottin
SMILES: COC(C)(C)[C@H](O)CC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12
Compound: (R)-(+)-6',7'-dihydroxybergamottin
SMILES: C\C(CC[C@@H](O)C(C)(C)O)=C/COc1c2ccoc2cc2oc(=O)ccc12
Compound: bergomottin
SMILES: CC(C)=CCC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12
Compound: (+)-4-epi-cryptomeridiol
SMILES: [H][C@]12C[C@H](CC[C@]1(C)CCC[C@]2(C)O)C(C)(C)O
Compound: citronellol acetate
SMILES: CC(CCOC(C)=O)CCC=C(C)C
Compound: isopulegol
SMILES: C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C
Compound: neo-isopulegol, rel-
SMILES: C[C@H]1CC[C@@H]([C@H](O)C1)C(C)=C
Compound: 1-O-isopropyl-beta-D-glucopyranoside
SMILES: O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(C)C
Compound: (S)-1'-methylbutyl caffeate
SMILES: CCC[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1
Compound: (S)-1'-methylhexyl caffeate
SMILES: CCCCC[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1
Compound: (S)-1'-methyloctyl caffeate
SMILES: CCCCCCC[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1
Compound: (-)-sanguinolignan A
SMILES: O[C@@H]([C@H]1COC(=O)[C@@H]1C(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Compound: (-)-sanguinolignan B
SMILES: O[C@@H]([C@@H]1COC(=O)[C@@H]1C(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Compound: (-)-sanguinolignan C
SMILES: COc1ccc(cc1OC)[C@@H](OC(C)=O)[C@H]1COC(=O)[C@@H]1C(=O)c1ccc2OCOc2c1
Compound: (-)-sanguinolignan D
SMILES: CC(=O)O[C@@H]([C@@H]1[C@H](COC1=O)C(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Compound: (7'S)-parabenzlactone
SMILES: O[C@@H]([C@H]1COC(=O)[C@@H]1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1
Compound: Dihydrocubebin, rel-
SMILES: OC[C@@H](Cc1ccc2OCOc2c1)[C@@H](CO)Cc1ccc2OCOc2c1
Compound: Justiflorinol
SMILES: OCC(CC(=O)c1ccc2OCOc2c1)C(=O)c1ccc2OCOc2c1
Compound: (-)-Alstolucine A, (rel)-
SMILES: [H][C@@]1(CN2CC[C@@]34C(Nc5ccccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])[C@@H](C)OC(=O)OCC
Compound: (-)-Alstolucine B, (rel)-
SMILES: [H][C@]1(CN2CC[C@@]34C(Nc5ccccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])C(C)=O
Compound: (-)-Alstolucine C
SMILES: [H][C@]1(C[N+]2([O-])CC[C@@]34C(Nc5ccccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])C(C)=O
Compound: (-)-Alstolucine D, (rel)-
SMILES: [H][C@]1(CN2CC[C@@]34C(Nc5c(O)cccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])C(C)=O
Compound: (-)-Alstolucine E
SMILES: [H][C@@]1(CN2CC[C@@]34C(Nc5c(O)cccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])C(C)=O
Compound: Alstolobine A, (rel)-
SMILES: [H][C@]12CCN(C[C@]1(OC[C@@]2(C(=O)OC)c1cc2ccccc2[nH]1)C=C)C(=O)OCC
Compound: (-)-Alstolucine F
SMILES: [H][C@@]1(CN2CC[C@@]34C(Nc5ccccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])C(C)=O
Compound: akuammicine
SMILES: C=12[C@@]3([C@H]4N(CC3)C\C(\[C@@](C1C(=O)OC)(C4)[H])=C\C)C5=CC=CC=C5N2
Compound: 10-Hydroxyloganin
SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)[C@@H](O)C[C@H]12
Compound: vinervine
SMILES: [H][C@@]12C[C@]3([H])N(CC[C@]33C(Nc4c(O)cccc34)=C1C(=O)OC)C\C2=C\C
Compound: N(4)-demethyl-12-methoxyalstogustine
SMILES: [H][C@@]1(CN2CC[C@@]34C(Nc5c(OC)cccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])[C@@H](C)O
Compound: nor-6,7-secoangustilobine A, (rel)-
SMILES: [H][C@]12CCNC[C@]1(OC[C@@]2(C(=O)OC)c1cc2ccccc2[nH]1)C=C
Compound: 4,6-secoangustilobinal A
SMILES: [H][C@]12CCNC[C@]1(OC[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1C=O)C=C
Compound: 16-epivincamine
SMILES: [H][C@]12N3CCC[C@@]1(CC)C[C@@](O)(C(=O)OC)n1c2c(CC3)c2ccccc12
Compound: picrinine
SMILES: [H][C@]12C[C@]34[C@H](C(=O)OC)[C@@]5([H])C[C@]([H])(N1C\C5=C\C)[C@]3(NC1=C4C=CC=C1)O2
Compound: undulifoline
SMILES: [H][C@@]12CCOC[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4[C@]1([H])N(C)CC[C@@]23[H]
Compound: (-)-vincadifformine
SMILES: C=1(C[C@]2([C@@]3(N(CCC2)CC[C@]43C5=C(NC41)C=CC=C5)[H])CC)C(=O)OC
Compound: 16R,19E-isositsirikine
SMILES: [H][C@@]1(C[C@]2([H])N(CCc3c2[nH]c2ccccc32)C\C1=C\C)[C@H](CO)C(=O)OC
Compound: 20(R)-tubotaiwine
SMILES: [H][C@@]12CCN3CC[C@@]4(C(Nc5ccccc45)=C1C(=O)OC)[C@@]3([H])[C@@H]2CC
Compound: myosmine
SMILES: C1CN=C(C1)C1=CN=CC=C1
Compound: 15-hydroxyangustilobine A
SMILES: COC(=O)[C@@]12CO[C@@]3(CN(CC[C@]13O)Cc1c2[nH]c2ccccc12)C=C
Compound: angustilobine B, (rac)-
SMILES: COC(=O)C12COCC=C3CN(CCC13)Cc1c2[nH]c2ccccc12
Compound: 19,20-E-vallesamine
SMILES: [H][C@]12CCN(C\C1=C\C)Cc1c([nH]c3ccccc13)[C@]2(CO)C(=O)OC
Compound: N(4)-demethylechitamine
SMILES: [H][C@]12C[C@H](O)[C@@]34Nc5ccccc5[C@@]3(CCN4C\C1=C\C)[C@]2(CO)C(=O)OC
Compound: leuconoxine
SMILES: [H][C@]12CC(=O)N3CCC[C@]4(CC)CCC(=O)N(c5ccccc15)C234
Compound: 20(S)-tubotaiwine
SMILES: [H][C@@]12CCN3CC[C@@]4(C(Nc5ccccc45)=C1C(=O)OC)[C@@]3([H])[C@H]2CC
Compound: Scholaricine
SMILES: [H][C@]1(CN2CC[C@@]34C(Nc5c(O)cccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])[C@H](C)O
Compound: Meliasenin I, (rel)-
SMILES: [H][C@]12CC[C@@]3(C)[C@]([H])([C@H](C)C\C=C\C(C)(C)OO)[C@@H](O)C[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
Compound: Meliasenin J, rel-
SMILES: [H][C@]12CC[C@@]3(C)[C@]([H])([C@H](C)C\C=C\C(C)(C)OO)[C@@H](O)C[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
Compound: Meliasenin K
SMILES: [H][C@]12CC[C@@]3(C)[C@]([H])([C@H](C)CCC(OO)C(C)=C)[C@@H](O)C[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
Compound: Meliasenin L, (rel)-
SMILES: [H][C@]12CC[C@@]3(C)[C@]([H])([C@H](C)CCC(OO)C(C)=C)[C@@H](O)C[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
Compound: Meliasenin M, (rel)-
SMILES: [H][C@]12C[C@]3(C)C4=CC[C@@]5([H])C(C)(C)C(=O)CC[C@]5(C)[C@@]4([H])CC[C@@]3(C)[C@]1([H])[C@@]([H])(C\C=C\C(C)(C)OO)C(=O)O2
Compound: Meliasenin N
SMILES: [H][C@]12C[C@]3(C)C4=CC[C@@]5([H])C(C)(C)C(=O)CC[C@]5(C)[C@@]4([H])CC[C@@]3(C)[C@]1([H])[C@@]([H])(CC[C@H](OO)C(C)=C)C(=O)O2
Compound: Meliasenin O
SMILES: [H][C@]12C[C@]3(C)C4=CC[C@@]5([H])C(C)(C)C(=O)CC[C@]5(C)[C@@]4([H])CC[C@@]3(C)[C@]1([H])[C@@]([H])(CC[C@@H](OO)C(C)=C)C(=O)O2
Compound: Meliasenin P, (rel)-
SMILES: [H][C@@]1(C[C@]([H])([C@@H](OC)O1)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@]1([H])OC1(C)C
Compound: Meliasenin Q
SMILES: [H][C@@]1(C[C@]([H])([C@@H](OC)O1)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)[C@@]3([H])CC[C@@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](O)C(C)(C)O
Compound: (20S)-5-Stigmastene-3beta,7alpha,16beta,20-tetrol
SMILES: [H][C@]12CC[C@@]3(C)[C@@]([H])(C[C@H](O)[C@]3([H])[C@@](C)(O)CC[C@@H](CC)C(C)C)[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@]21C
Compound: meliastatin 3
SMILES: [H][C@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)C[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C)[C@@H](C\C=C\C(C)(C)OO)C(=O)OC
Compound: kulinone
SMILES: [H][C@]12CC[C@@]3(C)[C@]([H])([C@H](C)CCC=C(C)C)[C@@H](O)C[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
Compound: methyl kulonate
SMILES: [H][C@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)C[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C)[C@@H](CCC=C(C)C)C(=O)OC
Compound: meliastatin 5
SMILES: [H][C@]12CC[C@@]3(C)[C@]([H])([C@H](C)CC[C@H](O)C(C)=C)[C@@H](O)C[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
Compound: 7beta-hydroxysitosterol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C
Compound: (20S)-5-ergostene-3beta,7alpha,16beta,20-tetrol
SMILES: [H][C@]12CC[C@@]3(C)[C@@]([H])(C[C@H](O)[C@]3([H])[C@@](C)(O)CC[C@@H](C)C(C)C)[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@]21C
Compound: (22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-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)\C=C\[C@@H](C)C(C)C
Compound: rel-12-O-(4Z,7Z)-Deca-4,7-dienoylphorbol-13-acetate
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@@H](OC(=O)CC\C=C/C\C=C/CC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Compound: rel-12-O-(4Z)-Deca-4-enoylphorbol-13-acetate
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@@H](OC(=O)CC\C=C/CCCCC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Compound: rel-12-O-Octanoylphorbol-13-acetate
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@@H](OC(=O)CCCCCCC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Compound: 12-O-Decanoylphorbol-13-acetate
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@@H](OC(=O)CCCCCCCCC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Compound: rel-6alpha,7alpha-Epoxy-5beta-hydroxy-12-deoxyphorbol-13-decanoate
SMILES: [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]1(O)[C@H](C)C[C@]3(OC(=O)CCCCCCCCC)[C@]([H])([C@]21[H])C3(C)C
Compound: 6alpha,7alpha-Epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2E,4E)-tetradeca-2,4-dienoyl-1-tiglien-3-one
SMILES: [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]1(O)[C@H](C)C[C@]3(OC(=O)\C=C\C=C/CCCCCCCCC)[C@]([H])([C@]21[H])C3(C)C