MonarchInit/C3PO huggingface dataset:
Compound: Pseudonocardone B
SMILES: O=C1C=2C3=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]4O)O)C=C(C)C=C3C=CC2C(=O)C5=C1C=CC=C5OC
Compound: Formipinic acid D
SMILES: O=C1[C@@H]([C@]2(CCC3=C([C@@]2(C1)C)CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)[C@H](C(=O)O)CCC=C(C)C
Compound: Streptenol I
SMILES: O=C(C[C@@H](O)CCO[C@]1(OCC[C@@H](C1)O)CC/C=C/C)CC/C=C/C
Compound: Ganoleuconin P
SMILES: O=C1C2=C([C@]3(CCC(C([C@@H]3C1)(C)C)=O)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H](CC[C@H](O)[C@](O)(COC(=O)/C(=C\CC5=C(O)C=CC(=C5)O)/CC/C=C(/CCC=C(C)C)\C)C)C)C)C
Compound: Kalihinol J
SMILES: Cl[C@@H]1C(O[C@]([C@@H]2[C@H]3[C@@H](NC=O)[C@](O)(CC[C@@H]3[C@@](N=C=S)(C)CC2)C)(C)CC1)(C)C
Compound: Diacetylgliocladic acid
SMILES: O=C(O)/C(=C/[C@H]1C=C(CC[C@@H]1C(C)C)COC(=O)C)/COC(=O)C
Compound: Antimycin H
SMILES: O=C1O[C@H]([C@H](OC(=O)[C@H](CC)C)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC(=O)C)=CC=C2)C)=O)C
Compound: Cytosaminomycin B
SMILES: O=C1N=C(NC(=O)C2=CC=C(NC)C=C2)C=CN1[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](N(C)C)[C@@H]([C@H]4O)O)C)[C@@H](C3)O)C
Compound: Plicatilisin G
SMILES: O=C1O[C@@H]2[C@@H]3[C@@]([C@@H](C(C)C)[C@H]([C@H]3O)O)(CC[C@]4(C2=C1[C@@H](O)CC4)C)C
Compound: Divirensol H
SMILES: ClC[C@@]1(O)[C@@H](C(=O)OC)[C@H](/C=C(/C(=O)OC[C@@]2(O)C(C(=O)OC)[C@H](/C=C(/C(=O)O)\CO)[C@@H](C(C)C)CC2)\CO)[C@@H](C(C)C)CC1
Compound: Epostatin
SMILES: O=C(NC(C(=O)O)CCC(=O)N)/C=C/C=C/1\C=CC2C13OC3C(CCCCCC)CN2
Compound: Chrodrimanin K
SMILES: ClC1=C2O[C@]3([C@@H](O)C[C@H]4C(C(=O)CC[C@@]4([C@@H]3CC2=C5C[C@@H](C)OC(C5=C1O)=O)C)(C)C)C
Compound: Deformylated antimycin A2a
SMILES: O=C1O[C@H]([C@H](OC(=O)C(C)C)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(N)=CC=C2)C)=O)C
Compound: Pesthetoxin
SMILES: O=C1O[C@@H](CCCCCC)C(=C1C(=O)C)O
Compound: Gartryprostatin A
SMILES: O=C1N2[C@]34NC=5C6=C(OC(C)(C)C=C6)C=CC5[C@]3(O[C@@H](C4(C)C)CO)C[C@H]2C(=O)N7[C@H]1CCC7
Compound: Clitocybulol F
SMILES: O1[C@@]2(O)[C@](O)(C3=C(C[C@](C3)(CO)C)[C@H](C2)C)C(C1)=C
Compound: 4,8-dimethyl-6-O-(2',4'-di-O-methyl-beta-D-xylopyranosyl)hydroxyquinoline
SMILES: O1[C@@H](OC2=CC=3C(=NC=CC3C)C(=C2)C)[C@H](OC)[C@@H](O)[C@@H](C1)OC
Compound: Deformylated antimycin A1a
SMILES: O=C1O[C@H]([C@H](OC(=O)[C@H](CC)C)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(N)=CC=C2)C)=O)C
Compound: Chrodrimanin L
SMILES: ClC1=C2O[C@]3([C@@H](O)C[C@H]4C(C(=O)[C@H](C[C@@]4([C@@H]3CC2=C5C[C@@H](C)OC(C5=C1O)=O)C)Cl)(C)C)C
Compound: (10S)-nocapyrone L
SMILES: O=C1C(=C(OC(=C1C)CCCC[C@H](CC)C)OC)C
Compound: Gartryprostatin B
SMILES: O=C1N2[C@]34NC=5C6=C(OC(C)(C)C=C6)C=CC5[C@]3(O[C@@H](C4(C)C)CO)C[C@H]2C(=O)N7[C@@]1(O)CCC7
Compound: Hantupeptin C
SMILES: O=C1O[C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)O[C@H]([C@H](C(N[C@H](C(N([C@H]1[C@H](CC)C)C)=O)C(C)C)=O)C)CCCCC)C(C)C)C)CCC2)CC3=CC=CC=C3
Compound: Mutacin
SMILES: O=C(NC(C=O)C(C)C)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCCN=C(N)N)CC=1C2=C(C=CC=C2)NC1)CC=3C4=C(C=CC=C4)NC3)CCC(=O)N)C(C)C
Compound: Spiroindimicin E
SMILES: ClC1=CC2=C(N(C)C[C@]23C=4NC=5C=CC=CC5C4C=6C3=C(NC6)C(=O)OC)C=C1
Compound: Spectomycin A1
SMILES: O=C1C2=C(O)C3=C(OC)C=CC=C3C=C2C(C(OC)=CC(=O)O)C(C1)(O)C
Compound: Gartryprostatin C
SMILES: O=C/1NCC(=O)N\C1=C/C=2N=CNC2C(C=C)(C)C
Compound: Chrodrimanin M
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C3O[C@]4([C@@H](O)C[C@@H]5[C@@]([C@@H]4CC23)([C@@H](O)C[C@H](O)C5(C)C)C)C)C
Compound: Acremine E
SMILES: O1C2=C(C=C(O)C(=C2)C)C=C1C(OC)(C)C
Compound: Spiroindimicin F
SMILES: ClC1=CC=2C=3C=4C(=C(C(=O)OC)NC4)[C@@]5(C3NC2C=C1)C6=C(C=CC=C6)N(C5)C
Compound: Fistupyrone
SMILES: O=C1OC(=CC(=C1)O)CCC(C)C
Compound: 3-[(5E)-5-methyl-4-oxo-2-hydroxy-5-octenyl]glutarimide
SMILES: O=C1NC(=O)CCC1CC(O)CC(=O)/C(=C/CC)/C
Compound: Strepphenazine A
SMILES: O=C(O)C=1C2=NC=3C(=C(OC)C(O)=CC3)N=C2C=CC1
Compound: Chrodrimanin N
SMILES: O=C1O[C@@H]([C@H](OC(=O)C)C=2C1=C(O)C=C3O[C@]4([C@@H](O)C[C@@H]5[C@@]([C@@H]4CC23)(CC[C@@H](C5(C)C)O)C)C)C
Compound: Fusarone
SMILES: O=C1CC(C/C=C\CC)C(C1)CCCC(=O)O
Compound: Lagunapyrone D
SMILES: O=C1OC(=CC=C1CC)[C@@H](C(O)/C(=C/C/C=C(/C/C(=C/C(=C/C[C@@H](O)[C@H]([C@H](O)/C(=C/C)/C)C)/C)/C)\C)/C)C
Compound: Falconensin H
SMILES: ClC1=C(OC)C(=C(C)C(=C1O)Cl)C(=O)O[C@@]2(C(=O)C=3C(C=C(/C=C/C)OC3)=CC2=O)C
Compound: Strepphenazine B
SMILES: O=C(N)C1=CC=C(N(C=2C3=NC=4C(=C(O)C=CC4)N=C3C=CC2)C)C=C1
Compound: Aureobasidin-T4
SMILES: O=C1OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(NC(C(N(C(C(NC(C(N(C1C(C)C)C)=O)CC(C)C)=O)C(CC)C)C)=O)C(CC)C)=O)C(O)C3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)C
Compound: Verruculide B2
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2C/C=C(/CCC(O)[C@@]3(O[C@H](C(O)(C)C)CC3)C)\C)C
Compound: Nodulisporic acid E
SMILES: O=C(O)/C(=C/CC[C@@]1([C@@H](O)CC[C@]2([C@H]1CC[C@@H]3[C@@]2(C=4NC=5C=C(CC=C(C)C)C(=CC5C4C3)CC=C(C)C)C)C)C)/C
Compound: (2R,3R, 5R,6R,7R,9R)-6,7-Epoxy-4(1 5)-hirsutene5-ol
SMILES: O1[C@@]23[C@@](C(=C)[C@H]([C@@H]12)O)([C@@H]4CC(C)(C)C[C@@H]4C3)C
Compound: Lagunapyrone E
SMILES: O=C1OC(=CC=C1CCCCC)[C@@H](C(O)/C(=C/C/C=C(/C/C(=C/C(=C/C[C@@H](O)[C@H]([C@H](O)/C(=C/C)/C)C)/C)/C)\C)/C)C
Compound: Verruculide B3
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2C/C=C(/CCC(O)[C@]3(O[C@H](C(O)(C)C)CC3)C)\C)C
Compound: 7alpha-Hydroxybotryenalol
SMILES: O=C(O[C@@H]1[C@@H]2C(=C(C=O)[C@@H](C1)C)[C@](CO)(C)[C@@H](C2(C)C)O)C
Compound: Strepphenazine C
SMILES: O=C(O)C1=CC=C(NC=2C3=NC=4C(=C(O)C=CC4)N=C3C=CC2)C=C1
Compound: Splenocin E
SMILES: O=C1O[C@H]([C@H](OC(=O)C2=CC=CC=C2)[C@@H](CCCC)C(O[C@@H]([C@@H]1NC(=O)C3=C(O)C(NC=O)=CC=C3)C)=O)C
Compound: Versicomide A
SMILES: O=C1N2C(=NC3=C1C=C(OC)C=C3)[C@@H](NC([C@@H]2C(C)C)=O)[C@H](CC)C
Compound: Palmarumycin B9
SMILES: O=C1C2=C(O)C=CC(=C2C3([C@@]1(O)CC(=O)C)OC=4C=5C(C=CC4)=CC=CC5O3)O
Compound: Penicilone A
SMILES: O=C1C=2C(C=C(C=3C(=O)C[C@H](O)CC3C)OC2)=CC([C@@]1(OC(=O)/C(=C/C(CCCCCC)C)/C)C)=O
Compound: Brevibacillin V
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(C)C)CO)CC(C)C)CC1=CC=C(O)C=C1)CCCCN)C(C)C)C(C)C)CCCCN)C(C)C)C(C)C)C(CC)C)CCCN)CC(C)C)/C(/NC(=O)C(O)C(CC)C)=C\C
Compound: Cirratiomycin B
SMILES: O=C(N[C@H](C(=O)O)CO)/C(/NC(=O)[C@@H](NC(=O)[C@H]1N(N=CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(N)(CO)CO)C)[C@@H](N)C)C)=C(\CC)/C
Compound: (+)-cyclopenol
SMILES: O=C1N([C@]2(O[C@H]2C3=CC(O)=CC=C3)C(=O)NC4=C1C=CC=C4)C
Compound: Versicomide B
SMILES: O=C1N2C(=NC3=C1C=C(OC)C=C3)/C(/NC([C@@H]2C(C)C)=O)=C(\CC)/C
Compound: Nodulisporic acid A4
SMILES: O=C1C2=C3C(C=4C[C@H]5[C@](C4N3[C@H]1C(=C)C)([C@@]6([C@H]([C@@]([C@@H](O)CC6)(CC/C=C(/C(=O)O)\C)C)CC5)C)C)=CC7=C2[C@@H](O)[C@@H]8C(OC(C=C78)(C)C)(C)C
Compound: Roridoxin A
SMILES: O=C1O[C@H]2[C@@]3([C@@]4([C@@H](C=C(C)CC4)O[C@H](C2)[C@]35OC5)COC(=O)[C@@H]6[C@@]7([C@H]([C@](CCC=C1)(OCC7)OCC)O)O6)C
Compound: Penicilone B
SMILES: O=C1C=2C(C=C(C3=C(O)C=CC=C3C)OC2)=CC([C@@]1(OC(=O)/C(=C/C(CCCCCC)C)/C)C)=O
Compound: Atranone G
SMILES: O=C1O[C@@]2([C@H](CC=C(C(OC(=O)C)[C@@]3(C(=C(CC2)C)OC(=O)C3)O)C)C(=C1OC)C(C)C)C
Compound: Cephalanone B
SMILES: ClC1=C(OC)C(=C(O)C=C1C)C(=O)C2=C(C(OC=C[C@H](C(=O)O)C)=CC=C2)C(=O)O
Compound: Versicomide C
SMILES: O=C1N2C(=NC3=C1C=C(OC)C=C3)[C@@](OC)(NC([C@@H]2C(C)C)=O)[C@H](CC)C
Compound: Nidurufin
SMILES: O=C1C2=C(O)C3=C(O[C@]4(CC[C@@H]([C@@H]3O4)O)C)C=C2C(=O)C=5C1=C(O)C=C(O)C5
Compound: Pseudomonas fluorescens BTP2 Pyoverdin
SMILES: O=C1C(O)=CC2=CC(NC(=O)CCC(=O)N)=C3N(C2=C1)C(C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]4C(=O)N(O)CCC4)CO)[C@H](O)C)[C@H](O)C(=O)O)C(C)C)CO)CCN3
Compound: Roridoxin B
SMILES: O=C1O[C@H]2[C@@]3([C@@]4([C@@H](C=C(C)[C@H](C4)OC(=O)C)O[C@H](C2)[C@]35OC5)COC(=O)[C@@H]6[C@@]7([C@H]([C@](CCC=C1)(OCC7)OCC)O)O6)C
Compound: Penicilone C
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)/C(=C/C(CCCCCC)C)/C)C)=COC(=C2)C=3C(=O)CC(O)CC3C
Compound: Versicomide D
SMILES: O=C1N2C(=NC3=C1C=C(OC)C=CO3)[C@@H](NC([C@@H]2C(C)C)=O)[C@H](CC)C
Compound: (2R)-N-[(2S)-7-[(1-acetylcyclopropyl)amino]-5,7-dioxoheptan-2-yl]-2-(tetradecanoylamino)butanediamide
SMILES: O=C(N[C@H](CCC(=O)CC(=O)NC1(C(=O)C)CC1)C)[C@H](NC(=O)CCCCCCCCCCCCC)CC(=O)N
Compound: Epsilon-Cadinene
SMILES: C1(=C)[C@H]2[C@H]([C@H](C(C)C)CC1)CC(=C)CC2
Compound: Roridoxin C
SMILES: O=C1O[C@H]2[C@@]3([C@@]4([C@@H](C=C(C)[C@H](C4)OC(=O)C)O[C@H](C2)[C@]35OC5)COC(=O)[C@@H]6[C@@]7([C@H]([C@](CCC=C1)(OCC7)OC)O)O6)C
Compound: Mabetaarinolin A
SMILES: O=C1O[C@@]2(OC[C@]3([C@@H]2O)[C@@H]4C(=C)CC[C@H]3C4)C=C1C
Compound: Penicilone D
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)/C(=C/C(CCCCCC)C)/C)C)=COC(=C2)C3=C(O)C=CC=C3C
Compound: Geniculol
SMILES: O=C1O[C@H]2C3=C[C@H]4OC(=O)[C@@]5([C@H]4[C@@]([C@]3(O)[C@H]([C@@]2(C)CC1)O)(CCC5)C)C
Compound: 7-methoxycyclopeptin
SMILES: O=C1N([C@H](C(=O)NC2=C1C=C(OC)C=C2)CC3=CC=CC=C3)C
Compound: Emycine E
SMILES: O=C1C2=C(C(O)=CC=C2C[C@@H](C1)C)[C@@H]3OCC4=C3C=CC=C4O
Compound: Arthrobotrisin D
SMILES: O[C@@]1([C@@H](O)C=C(CO)[C@H]([C@@H]1O)O)[C@@H](O)/C=C(/[C@@H](O)C/C=C(/CCC=C(C)C)\C)\C
Compound: Daryamide D
SMILES: O=C(NC1=C[C@@](O)([C@@H]2[C@H]([C@@H]1O)O2)CCC(=O)N)/C=C/C=C/CC(C)C
Compound: Rubiginone B2
SMILES: O=C1C2=C3C(=O)C[C@@H](C)CC3=CC=C2C(=O)C4=C1C=CC=C4OC
Compound: Pseudophomin B
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCC)CC(C)C)CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CO)=O)CC(C)C)=O)CO)CC(C)C)[C@H](CC)C)C
Compound: 7-methoxydehydrocyclopeptin
SMILES: O=C/1NC2=C(C=C(OC)C=C2)C(N(\C1=C/C3=CC=CC=C3)C)=O
Compound: Polymyxin Nva-E1
SMILES: O=C1NCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC(CC)C)CCN)C(O)C)CCN)C(=O)NC(C(=O)NC(C(=O)NC(C(NC(C(NC(C(NC1C(O)C)=O)CCN)=O)CCN)=O)CC)CC(C)C)CCN
Compound: Arthrobotrisin B 7-acetonide
SMILES: O1[C@@]2([C@@H](O)C=C([C@H]([C@H]12)O)COC(O)(C)C)[C@@H](O)/C=C(/[C@@H](O)C/C=C(/CCC=C(C)C)\C)\C
Compound: Daryamide E
SMILES: O=C(NC1=C[C@@](O)([C@@H]2[C@H]([C@@H]1O)O2)CCC(=O)N)/C=C/C=C/C(C)C
Compound: Vibralactone H
SMILES: O=C1O[C@H]2CC(=C[C@@]12CC=C(C)C)C(=O)O
Compound: Hypoillexidiol
SMILES: O=C1C2=C(C[C@@H]([C@]1(O)C)O)C[C@@H](C)OC2
Compound: 7-methoxycyclopenin
SMILES: O=C1N([C@]2(O[C@H]2C3=CC=CC=C3)C(=O)NC4=C1C=C(OC)C=C4)C
Compound: Sargabetaopenilline F
SMILES: O=C1C2=C(C(O)[C@]3(O[C@H](CC[C@@H]3OC(=O)C)C)OC2)C[C@H]([C@]1(O)C)O
Compound: Arthrobotrisin B 1'-acetonide
SMILES: O1[C@@]2([C@@H](OC(O)(C)C)C=C([C@H]([C@H]12)O)CO)[C@@H](O)/C=C(/[C@@H](O)C/C=C(/CCC=C(C)C)\C)\C
Compound: Daryamide F
SMILES: O=C(NC1=C[C@@](O)([C@@H]2[C@H]([C@@H]1O)O2)CCC(=O)N)/C=C/C=C/CCC
Compound: Roseobacticide G
SMILES: S(=O)(=O)(O)C=1C=C2OC(=O)C(=C2C=CC1)C3=CC=CC=C3
Compound: 4-ethyl-2H-pyran-2-one-6-carboxylic acid
SMILES: O=C1OC(C(=O)O)=CC(=C1)CC
Compound: 9-hydroxy-3-methoxyviridicatin
SMILES: O=C1NC2=C(O)C=CC=C2C(=C1OC)C3=CC=CC=C3
Compound: Petchiate A
SMILES: O=C(OCC)/C=C(\C=1OC(CO)=CC1)/C(=O)C
Compound: Stagonolide K
SMILES: O=C1O[C@H](C[C@@H](O)C=CCCC1)CCC
Compound: Carpatamide D
SMILES: O=C(N(C1=C(O)C=C(O)C(=C1)CCC(=O)O)CCO)/C=C/C=C/CC(C)C
Compound: Bacillopeptin A
SMILES: O=C1NC(CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CC(=O)N)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](O)C)=O)CO)=O)CCC(=O)O)=O)CO)=O)CC2=CC=C(O)C=C2)CC(=O)N)CCCCCCCCCCC
Compound: Quinocitrinine B
SMILES: O=C1N[C@H]([C@H](CC)C)C=2C1=CC3=CC=C(C=C3[N+]2C)O
Compound: 3-dehydro-6-deoxoteasterone
SMILES: [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]1(C)CCC(=O)C2
Compound: Chartarene A
SMILES: O1[C@@H](OC[C@]23O[C@H]4C=C(C)CC[C@@]4([C@]2(CCC3)C)C)[C@@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: (2S,3R,4R,5S,6R)-2-(3-heptyl-5-hydroxyphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
SMILES: O1[C@@H](OC2=CC(O)=CC(=C2)CCCCCCC)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)OC
Compound: Stagonolide J
SMILES: O=C1O[C@H]([C@H](O)[C@@H](O)C=CCCC1)CCC
Compound: Ornilactam A
SMILES: O=C1NCCC[C@@H]1NC(=O)/C=C/C=C/CC(C)C
Compound: Lansai C
SMILES: O=C/1N(O)/C(/C(=O)N(\C1=C\C(C)C)C)=C/C2=CC=CC=C2
Compound: Chartarene B
SMILES: O1[C@]2([C@@]([C@H](O)C[C@@H]2OC)(C)[C@@]3([C@H]1C=C(CC3)C)C)CO
Compound: (12S)-11a,14a-epoxy-13a,14b,15-trihydroxycyath-3-ene
SMILES: O1[C@@]2(O)[C@]3([C@@H](C4=C(C(C)C)CC[C@]4(C)CC3)C[C@@H]1[C@H](CO)[C@H]2O)C
Compound: Kynapcin-13
SMILES: O=C(OC)C=1OC=2C=C(O)C(=CC2C1C(=O)OC)O
Compound: Abybetaomicin V
SMILES: O=C1C=2C(=O)O[C@]34C2O[C@]([C@@H](O)[C@@H]3CCC([C@@H](C[C@@H]1C)C)=O)([C@@H](CO)C4)C
Compound: Stagochromene A
SMILES: O=C1[C@H](O)[C@H](OC2C1C(=O)CCC2)CCC
Compound: Chartarene D
SMILES: O=C1OC[C@@]23[C@@]4([C@]5(OC5)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)CC=CC=C(OCCC(=C1)C)C(=O)C)C
Compound: Harzianin HC-6
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(CO)CC(C)C)CCC2)(C)C)CC(C)C)(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CC(=O)N)CC(C)C)(C)C)CCC3)C)C(C)C)(C)C
Compound: Microginin 612
SMILES: O=C(O)[C@H]1N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C(O)C(N)CCCCC)CC2=CC=C(O)C=C2)C)CC3=CC=C(O)C=C3)CCC1
Compound: Aspergilline E
SMILES: O=C1N(C=2C=CC=C3C2[C@@]14O[C@]5(O)[C@](O)(C(=O)N6[C@@]5([C@@H]4[C@H](C6(C)C)C3)O)[C@@H](O)C)CCCC(=O)OC
Compound: Viridicatumone A
SMILES: O=C([C@]1(C(=C[C@H](O)[C@@H]2[C@@H]1CC[C@@H](C2)C)C)C)CCO
Compound: Daldinone H
SMILES: O=C1C2=C(O)C=CC=C2C3=C4C(O)CC(C=5C4=C([C@@]3(C1)O)C=CC5O)=O
Compound: Abybetaomicin W
SMILES: O=C1[C@@](O)(C[C@@H](C(O)=C2[C@@H](C1)[C@@H]3[C@@]4(C(=O)O[C@@]([C@H]3O)(C)[C@H](C4)C)OC2=O)C)C
Compound: Talapolyester B
SMILES: O=C(O[C@H](CC(=O)O)C)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C[C@@H](O)CO)C)C
Compound: 4-Methylquinazoline
SMILES: N=1C=2C(C(C)=NC1)=CC=CC2
Compound: Curvulalide
SMILES: O=C1O[C@@H]([C@H](O)[C@@H](O)C=C[C@H](C=C1)O)C
Compound: 6-deoxocastasterone
SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C[C@@H](O)[C@@H](O)C2
Compound: Viridicatumone B
SMILES: O=C(OCCC(=O)[C@]1([C@](O)(C=C[C@@H]2[C@@H]1CC[C@@H](C2)C)C)C)CC3=C(O)C=CC(=C3)O
Compound: Daldinone J
SMILES: O=C1C2=C(O)C=CC=C2C3=C4C(O)CC(C=5C4=C([C@H]3[C@@H]1O)C=CC5O)=O
Compound: methyl 2,4-dihydroxy-3-[3-[(1R,5S,8R,11R)-11-hydroxy-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]benzoate
SMILES: O=C1C=C[C@@]23[C@H](O)C[C@@H](CC2[C@@]1(CCC(=O)NC4=C(O)C(C(=O)OC)=CC=C4O)C)C(C3)=C
Compound: Aspergilone A
SMILES: O=C1C=2C(=C(C)C(C1(CC3=CC=CC=C3)CC4=CC=CC=C4)=O)[C@H]([C@H](C)OC2)C
Compound: Abybetaomicin X
SMILES: O=C1O[C@@]2([C@@H](C=C(C)[C@@H](C2)C)/C=C/C(=O)O)C(=C1C(=O)[C@H](CC(=O)C)C)O
Compound: 4a-epi-9alpha-methoxydihydrodeoxybostrycin
SMILES: O=C1C2=C(O)C=C(OC)C(=C2[C@H](OC)[C@@H]3[C@H]1C[C@@H](O)[C@](C3)(O)C)O
Compound: Viridicatumone C
SMILES: O=C(OCCC(=O)[C@]1([C@](O)(C=C[C@@H]2[C@@H]1CC[C@@H](C2)C)C)C)CC3=CC(O)=C(O)C=C3
Compound: Sch 58777
SMILES: O=C(O[C@H]1[C@@H]2OCO[C@H]2[C@@]3(O[C@H]4[C@@H](O)[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@@H]5OC)O)COC)OC[C@@H]4O3)OC1)C6=C(O)C=C(O)C=C6C
Compound: Elmenol H
SMILES: O=C1N[C@]2(OC=3C=C(C)C=C4C3C2=C(O)C=C4)C=5C1=C(OC)C=CC5
Compound: Okaramine D
SMILES: O=C1N2[C@@](O)(C(=O)N3C1=CC=4C5=C(C=CC=C5)NC4C(C=C3)(C)C)[C@@H](OC)[C@@]6([C@@]27N(C=8C=CC=CC68)C(C)(C)[C@H]7CO)O
Compound: Abybetaomicin M
SMILES: O=C1[C@@H](C[C@@H](C(O)=C2[C@@]34[C@H]1C[C@H]5[C@H](O)[C@@](O3)([C@@](O)(C)C[C@@]45OC2=O)C)C)C
Compound: 4-Vinylresorcinol
SMILES: OC1=C(C=CC(=C1)O)C=C
Compound: 3beta-hydroxy-beta-acorenol
SMILES: OC([C@H]1[C@@]2([C@H](C)[C@@H](C1)O)CC=C(C)CC2)(C)C
Compound: Ustilipid E2
SMILES: O=C(O[C@@H]1[C@H](OC(=O)C)[C@@H](O[C@@H]([C@H]1OC(=O)C)COC(=O)C)OC[C@@H](O)[C@@H](O)CO)CCCCCCCCCCCCCCC
Compound: (-)-pratensilin A
SMILES: O=C1N[C@@]2(OC=3C=C(C)C=C4C3C2=C(O)C=C4)C=5C1=C(OC)C=CC5
Compound: Vertilecanin B Methy ester
SMILES: O=C(NCC(=O)OC)C1=NC=C([C@H](O)C2=CC=CC=C2)C=C1
Compound: Fusaravenin
SMILES: O=C(O)C=1C=2C(=C3ON=C(C3=CC2)CCN4CCOCC4)C=CC1
Compound: Gabosine H
SMILES: O=C1C=C([C@H](O)[C@H]([C@@H]1O)O)C
Compound: Abybetaomicin N
SMILES: O=C1[C@@H](C[C@@H](C(O)=C2[C@@]34[C@H]1C[C@H]5[C@H](O)[C@@](O3)([C@@H](C)C[C@@]45OC2=O)C)C)C
Compound: 31-Homorifamycin W
SMILES: O=C1NC=2C(=O)C3=C(O)C(=C(O)C(=C3C(C2)=O)C(=O)C(=CC(C(O)C(C(C(C(C(C(C(C=CC=C1C)CC)O)C)O)C)O)C)CO)C)C
Compound: 6-deoxycathasterone
SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@H](O)C[C@@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
Compound: (+)-pratensilin B
SMILES: O=C1N[C@]2(OC=3C=C(C)C=C4C3C2=C(O)C=C4)C5=C1C=CC=C5OC
Compound: 5,10-dihydrophencomycin methyl ester
SMILES: O=C(OC)C1=C2NC3=C(C(C(=O)OC)=CC=C3)NC2=CC=C1
Compound: Cyclonerotriol B
SMILES: O[C@@]1([C@@H]([C@@H]([C@](O)(C/C=C\C(O)(C)C)C)CC1)C)C
Compound: ( -)-1-hydroxybybetaochlamic acid
SMILES: O=C1OC(=O)C2=C1[C@@H](O)[C@H](CC=3C(=O)OC(C3C[C@H]2CCC)=O)CC
Compound: Abybetaomicin O
SMILES: O=C1[C@@H](C[C@@H](C(O)=C2[C@@]34[C@H]1C[C@H]5[C@H](O)[C@@](O3)([C@@H](CO)C[C@@]45OC2=O)C)C)C
Compound: (-)-pratensilin B
SMILES: O=C1N[C@@]2(OC=3C=C(C)C=C4C3C2=C(O)C=C4)C5=C1C=CC=C5OC
Compound: Separacene B
SMILES: O[C@H](/C=C/C=C/C=C/C=C/[C@H](O)[C@H](O)C)[C@H](O)C=C
Compound: (8S,9S)-1,9-dihydroxy-4-methoxy-5-methyl-8-prop-1-en-2-yl-1,7,8,9-tetrahydrouro[3,4-]chromen-3-one
SMILES: O=C1OC(O)C=2C1=C(OC)C(=C3OC[C@@H]([C@@H](C23)O)C(=C)C)C
Compound: Sartorypyrone E
SMILES: O=C1OC(=CC(=C1C/C=C(/CC/C=C(/CC/C=C(/CC[C@H](O)C(O)(C)C)\C)\C)\C)O)C
Compound: Abybetaomicin P
SMILES: O=C1[C@@](O)(C[C@@H](C(O)=C2[C@@]34[C@H]1[C@@H](OC)[C@H]5[C@H](O)[C@@](O3)([C@@H](C)C[C@@]45OC2=O)C)C)C
Compound: (+)-pratensilin C
SMILES: O=C1N([C@]2(OC=3C=C(C)C=C4C3C2=C(O)C=C4)C5=C1C=CC=C5OC)CCO
Compound: Creolophin C
SMILES: O=C1C(=C[C@H]2[C@@H]1[C@@]3(C(=C)[C@@H](O)[C@@H]4[C@]3(O4)C2)C)C
Compound: Penazaphilone E
SMILES: ClC=1C2=C(C(=O)[C@@](C1O)(OC(=O)C)C)C=NC(=C2)/C=C/C(=C/[C@H](CC)C)/C
Compound: 13-O-acetylsydowinin B
SMILES: O=C1C2=C(C(O)=CC=C2OC3=C1C(O)=CC(=C3)COC(=O)C)C(=O)OC
Compound: 6-epi-ophiobolin K
SMILES: O=C1[C@H]2C(=CC[C@H]3C([C@H](/C=C\C=C(C)C)C)CC[C@@]3(C[C@@H]2[C@@](C1)(O)C)C)C=O
Compound: Abybetaomicin Q
SMILES: O=C1[C@@](O)(C[C@@H](C(O)=C2[C@@]34[C@H]1[C@@H](O)[C@H]5[C@H](O)[C@@](O3)([C@@H](C)C[C@@]45OC2=O)C)C)C
Compound: (-)-pratensilin C
SMILES: O=C1N([C@@]2(OC=3C=C(C)C=C4C3C2=C(O)C=C4)C5=C1C=CC=C5OC)CCO
Compound: Anabaenopeptin J
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CC3=CC=CC=C3)C)C
Compound: Pneumocandin A1
SMILES: O=C1N2[C@H](C(=O)N[C@H](O)[C@H](O)C[C@@H](NC(=O)CCCCCCCC[C@H](C[C@H](CC)C)C)C(=O)N[C@H](C(N3[C@H](C(N[C@H](C(N[C@H]1[C@H](O)CC(=O)N)=O)C[C@@H](O)C4=CC=C(O)C=C4)=O)C[C@@H](O)C3)=O)[C@H](O)C)[C@@H](O)[C@H](C2)C
Compound: Penazaphilone I
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(CCCC(=O)O)C(=C2)C=CC(=C[C@H](CC)C)C
Compound: 6-deoxoteasterone
SMILES: [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C2
Compound: Demethyltrichodimerol
SMILES: O=C1/C(=C(\O)/C=C/C=C/C)/C2[C@@]3(O[C@@]4([C@H]2C(=O)\C(\C5[C@]1([C@]3(O[C@@]54C)O)C)=C(/O)\C=C\C=C\C)O)C
Compound: Abybetaomicin R
SMILES: O=C1[C@@](O)(C[C@@H](C(O)=C2[C@@]34[C@H]1[C@@H](O)[C@H]5[C@H](O)[C@@](O3)([C@@H](CO)C[C@@]45OC2=O)C)C)C
Compound: Talaramide A
SMILES: O=C1[C@@]2(O)C(=O)N[C@]3([C@H]2O[C@](C1)(O3)CC4=CC=CC=C4)CC(C)C
Compound: 5'-O-acetylaporpinone A
SMILES: O=C1OC(=C(C#C[C@H](COC(=O)C)C)CO)C=C1
Compound: Penazaphilone A
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(C(C(=O)O)CC(C)C)C(=C2)C=CC(=C[C@H](CC)C)C
Compound: 19-(alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3-one
SMILES: O=C1[C@@]([C@H]2[C@]([C@@H]3C(C[C@](C=C)(C)CC3)=CC2)(C)CC1)(CO[C@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)C
Compound: Virgineol
SMILES: O1[C@]2(O)[C@@](O)(CO[C@]2(OC)CC(C)C)[C@@H]3[C@H]1[C@H](O)[C@@](O)(CC3)C
Compound: Udasterpurenol A
SMILES: O[C@@]12C(=C3[C@@H](C[C@@](C3)(CO)C)C[C@@]1(CC2)C)C
Compound: Lasiodiplactone A
SMILES: O=C1O[C@@H](CCCCCCCC=2C1=C(OC)C=C3O[C@@]4(OC[C@H]([C@@H]4CC23)C)C)C
Compound: Abybetaomicin S
SMILES: O=C1[C@@](O)(C[C@@H](C(O)=C2[C@@]34[C@H]1[C@@H](O)[C@H]5[C@H](O)[C@@](O3)([C@@](O)(C)C[C@@]45OC2=O)C)C)C
Compound: 6-deoxotyphasterol
SMILES: [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]1(C)CC[C@@H](O)C2
Compound: Marcfortine B
SMILES: O=C1N[C@]23[C@@H](C(C)(C)[C@@]4(C2)C(=O)NC5=C4C=CC6=C5OC=CC(O6)(C)C)C[C@]17N(CCCC7)C3
Compound: Penazaphilone B
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(C(C(=O)OC)CC(C)C)C(=C2)C=CC(=C[C@H](CC)C)C
Compound: Hebelomic acid B
SMILES: O=C(O[C@H]1[C@H](OC(=O)C)C(C2CCC3=C([C@]2(C1)C)C[C@H](OC(=O)C)[C@]4([C@]3(CC[C@@H]4C5[C@@H](O[C@@H](C(O)(C)C)CC5)O)C)C)(C)C)CC(O)(CC(=O)O)C
Compound: 2-(1-acetylamino-ethyl)-thiazole-4-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide
SMILES: S1C(=NC(=C1)C(=O)NCCC=2C3=C(C=CC=C3)NC2)[C@@H](NC(=O)C)C
Compound: (+)-ascomlactone A
SMILES: O=C1O[C@@H](C2=C3C(=O)C4=C(C=C(C)C=C4O)OC3=CC(=C2)OC)[C@H](O)C=5C=C(OC)C=C(C5OC6=C1C(O)=CC(=C6)C)O
Compound: Abybetaomicin T
SMILES: O=C1[C@@H](C[C@@H](C(O)=C2[C@@]34[C@H]1C[C@@]56O[C@@H]5[C@@](O3)([C@@](O)(C)C[C@@]46OC2=O)C)C)C
Compound: 2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol
SMILES: OC1(C(C2(C(C3(C(C4(C(C(CCC4)(C)C)CC3)C)CC2)C)CC1)C)CCC(C5=CCC(C)=CC5)C)C
Compound: Penazaphilone C
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(CCO)C(=C2)C=CC(=C[C@H]([C@H](O)C)C)C
Compound: Cryptophycin-327
SMILES: ClC1=C(OC)C=CC(=C1)C[C@H]2NC(=O)C=CC[C@H](OC(=O)[C@@H](OC([C@@H](CNC2=O)C)=O)CC(C)C)[C@@H]([C@H]3O[C@@H]3C4=CC=CC=C4)C
Compound: Methylenomycin A
SMILES: O=C1C(=C)[C@@H](C(=O)O)[C@]2([C@@]1(O2)C)C
Compound: Abybetaomicin U
SMILES: O=C1C=2C(=O)O[C@]34C2O[C@]([C@@H](O)[C@@H]3[C@H]5O[C@@H]5C([C@](C[C@@H]1C)(O)C)=O)([C@@H](C)C4)C
Compound: (-)-ascomlactone A
SMILES: O=C1O[C@H](C2=C3C(=O)C4=C(C=C(C)C=C4O)OC3=CC(=C2)OC)[C@@H](O)C=5C=C(OC)C=C(C5OC6=C1C(O)=CC(=C6)C)O
Compound: Malbranpyrrole E
SMILES: ClC1=C(NC=C1)/C=C/C=C(/C=2OC(=O)C(C(C=C)(C)C)=C(C2)OC)\C
Compound: Penazaphilone D
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(CCCC(=O)N)C(=C2)C=CC(=C[C@H](CC)C)C
Compound: Gliomastin A
SMILES: O=C1C=CC(=O)[C@]23[C@]1([C@H](C4=C(O)C=CC(=C4)O)C=C(C2)C)[C@@H](C(=C)C)C3
Compound: Berkeleylactone G
SMILES: O=C1O[C@@H]([C@@H](O)CCCCCCCC[C@@H]([C@@H](C=C1)O)OC(=O)CCC(=O)O)C
Compound: 4alpha-(3-methyl-4-formyloxy-hexyl)-3alpha-methyl-2-oxetanone
SMILES: O=C1O[C@H](CCC(O)CC(OC=O)C)[C@H]1C
Compound: Xylarinol B
SMILES: O1[C@H](C(O)C)C[C@H](O)C=2C(C1)=C(O)C=CC2
Compound: Plicatilisin C
SMILES: O[C@@H]1C2=CC3=C(CCC[C@@]3(C)CC[C@]2(C)[C@H]([C@H]1O)C(C)C)CO
Compound: Penazaphilone F
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(CCCC(=O)OC)C(=C2)C=CC(=C[C@H](CC)C)C
Compound: Berkeleylactone H
SMILES: O=C1O[C@@H](CCCCCCCCC[C@@H]([C@@H](C=C1)O)OC(=O)CCC(=O)O)CO
Compound: Bipolenin B
SMILES: O=C(OCC1=C[C@H]2C(CCC[C@@]1([C@H]2CCO)C)(C)C)C
Compound: Gliomastin B
SMILES: S1C2=C(NC(C1)=O)C(=CC(=C2)O)C[C@H](O)C(O)(C)C
Compound: 2-amino-3,4-dihydroxy-5-methoxybenzamide
SMILES: O=C(N)C1=C(N)C(O)=C(O)C(=C1)OC
Compound: Diazaphilonic acid
SMILES: O=C1C=2C(C3=C(CC(C(=O)O)C(C3C=4OC=C5C(=O)C(OC(=O)C6=C(O)C=C(O)C=C6C)(C)C(C=C5C4)=O)C(=O)O)OC2)=CC(C1(OC(=O)C7=C(O)C=C(O)C=C7C)C)=O
Compound: Penazaphilone G
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(CCCCN3C(=CC4=C(Cl)C(=O)[C@](C(C4=C3)=O)(OC(=O)C)C)C=CC(=C[C@H](CC)C)C)C(=C2)C=CC(=C[C@H](CC)C)C
Compound: Peaurantiogriseol C
SMILES: O=C([C@@]1([C@@H]2[C@@H](C=C[C@@H]1C)C[C@](O)(C)CC2)C)CCO
Compound: Berkeleylactone A
SMILES: S([C@H]1C(=O)O[C@@H](CCCCCCCCC[C@@H](C(C1)=O)O)C)C[C@@H](O)C(=O)O
Compound: Gliomastin C
SMILES: O1C2=C(C=C(O)C=C2)C=C1C(O)(C)C
Compound: Mevashuntin
SMILES: S1C(=O)N(C)C2=C1C(=O)C3=C(O)C4=C(CC(CC(=O)O)OC4CCC(C)C)C=C3C2=O
Compound: Cucurbitarin A
SMILES: O=C1C(C2=CC=CC=C2)=C(OC)[C@@H](O)[C@H](C1)C3=CC=CC=C3
Compound: Penazaphilone H
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(CCO)C(=C2)/C=C/C(=C/[C@H](CC)C)/C
Compound: SNAC
SMILES: S(C(=O)/C=C/CCC[C@H](O)/C=C/CC(O)C)CCNC(=O)C
Compound: Berkeleylactone B
SMILES: S([C@H]1C(=O)O[C@@H](CCCCCCCCC[C@@H](C(C1)=O)OC(=O)CCC(=O)O)C)C[C@@H](O)C(=O)O
Compound: Gliomastin D
SMILES: O1C2=C(C=C(C1(C)C)O)C=C(O)C=C2
Compound: Isocrotonylpterosin B
SMILES: O=C1C2=C(C(=C(C)C=C2C[C@@H]1C)CCOC(=O)/C=C\C)C
Compound: Prugosene B1
SMILES: O=C1O[C@H]([C@@H](C(=O)O)C)[C@@]([C@@H]1C)(/C=C/C=C/C=C/C=C/C=C(/[C@H]2O[C@H]([C@](O)(C)C=C2C)C)\C)C
Compound: Irpenigirin B
SMILES: O=C(O[C@H]([C@](O)(CC/C=C(/CCCC(O)(C)C)\C)C)CC[C@H](OC(=O)C)[C@](O)(CC/C=C(/CCCC(O)(C)C)\C)C)C
Compound: Macrosphelide M
SMILES: O=C1O[C@H]([C@H](O)C=CC(=O)O[C@@H](CC(O[C@H](C=C1)[C@@H](O)C)=O)C)C
Compound: Berkeleylactone C
SMILES: O=C1O[C@@H]([C@@H](O)CCCCCCCC[C@@H](C(C=C1)=O)OC(=O)CCC(=O)O)C
Compound: Dichotocejpin B
SMILES: O=C1N2[C@](O)(C(=O)N(C1=C)C)CC=3[C@H]2[C@@H](OC(=O)C)C=CC3
Compound: Isonigirpexin C
SMILES: O=C1C2=C(C[C@@H](C=CC=CC)OC2)C[C@H]([C@@]1(O)C)O
Compound: Berkeleylactone D
SMILES: O=C1O[C@@H](CC(O)CCCCCCC[C@@H](C(C=C1)=O)OC(=O)CCC(=O)O)C
Compound: 9-O-methylgliomastin C
SMILES: O1C2=C(C=C(O)C=C2)C=C1C(OC)(C)C
Compound: Cladobotrin IV
SMILES: O=C1OC(=C(CO)C(=C1C)OC)/C=C/C
Compound: Guignarlactone A
SMILES: O=C1O[C@@H]2C(=O)C3=C(C=CC=C3O)O[C@H]2[C@H](CC1)C
Compound: 5-demethylconocenol C
SMILES: O1[C@@]2(O)[C@@H]([C@H]3C(CC(C3)(C)C)=C([C@@H](C1)C2)CO)C
Compound: Acremonin A 1-O-beta-D-glucopyranoside
SMILES: O1[C@@H](OC2=C3C(=C(O)C=C2)[C@@H](C(=C)C)C3)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Microginin 91-B
SMILES: ClC(Cl)CCCCCC[C@@H](N)[C@@H](O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)O)CCC1)CC(C)C)C)[C@H](CC)C
Compound: Berkeleylactone E
SMILES: O=C1O[C@@H](CCCCCCCCC[C@@H]([C@@H](C=C1)O)OC(=O)CCC(=O)O)C
Compound: Coneuplectin
SMILES: O=C1C2=C(OC(=C1)C)C3=C(O)C=4C(=O)CCC4C=C3C=C2O
Compound: (-)-12-acetoxy-1-deoxysydonic acid
SMILES: O=C(O)C1=CC=C([C@](O)(CCC[C@@H](COC(=O)C)C)C)C=C1
Compound: Nigrosirpexin A
SMILES: O1[C@@H](O)[C@H]2[C@H](O)C[C@H](C)[C@H]3C(=C2C1)CC(C)(C)C3
Compound: Berkeleylactone F
SMILES: O=C1O[C@@H]([C@@H](O)CCCCCCCC[C@@H]([C@@H](C=C1)O)O)C
Compound: Wailupemycin D
SMILES: O=C1OC(=CC(=C1)O)[C@H]2C3=C(C(O)=CC=C3)C(=O)C[C@]2(O)C4=CC=CC=C4
Compound: Ochroleucin A2
SMILES: O=C/1OC=2C(C#CC(=C)C)=CC(=C(C2\C1=C/3\OC(=O)C(=C3)C#CC(=C)C)C=O)O
Compound: Gliomastin E 1-O-beta-D-glucopyranoside
SMILES: O1[C@@H](OC2=C3C(=C(O)C=C2)C(C)(C)[C@H](C3)O)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: 8'-epi-herbicidin B
SMILES: O=C(OC)[C@H]1O[C@H]2[C@](O[C@@H]3[C@@H](OC)[C@@H](O[C@@H]3C2)N4C5=NC=NC(=C5N=C4)N)(O)[C@@H]([C@@H]1O)O
Compound: Irpenigirin A
SMILES: O[C@@]([C@@H](O)CC[C@H](O)[C@](O)(CC/C=C(/CCCC(O)(C)C)\C)C)(CC/C=C(/CCCC(O)(C)C)\C)C
Compound: dihydroartemisinin
SMILES: [H][C@@]12CC[C@@]3(C)OO[C@]11[C@]([H])(OC(O)[C@H](C)[C@]1([H])CC[C@H]2C)O3
Compound: Biseokeaniamide A
SMILES: S1C(=NC=C1)CN(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)CCC)C)C(C)C)CCC2)C)CC3=CC=CC=C3)CC(C)C)C)C(C)C)C
Compound: Acremonoside
SMILES: O1[C@@H](OC2=C(C=C(O)C=C2)C[C@@H](O)C(O)(C)C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: 6'-O-acetyl-isohomoarbutin
SMILES: O=C(OC[C@H]1O[C@@H](OC2=C(C=C(O)C=C2)C)[C@H](O)[C@H]([C@@H]1O)O)C
Compound: Almiramide C
SMILES: O=C(N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N)CC1=CC=CC=C1)C)C)C)C(C)C)C(C)C)C)[C@@H](N(C(=O)[C@@H](CCCCC=C)C)C)C(C)C
Compound: 2'-O-methylmyxalamide D
SMILES: O=C(N[C@H](COC)C)/C(=C/C=C/C=C\C=C\C(=C\[C@H]([C@@H](O)/C(=C/C)/C)C)\C)/C
Compound: Sclerotiamide B
SMILES: O=C1N2[C@@]3(C(=O)N[C@]14[C@@H](OC)[C@@]5(C(=O)NC6=C5C=CC7=C6C=CC(O7)(C)C)C([C@@H]4C3)(C)C)CCC2
Compound: Biseokeaniamide B
SMILES: S1C(=NC=C1)CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)CCC)C)C(C)C)CCC2)C)CC3=CC=CC=C3)CC(C)C)C(C)C)C
Compound: Beta-Glcp-(1-->6)-beta-Glcp-(1-->6)-beta-GlcpNAcyl-(1-->2)-alpha-Glcp-(1-->1)-glycerol diester
SMILES: O=C(OC(COC(=O)CCCCCCCCCCCCCC)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2NC(=O)CCCCCCCCCCCCCC)O)CO[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)O)CO)CCCCCCCCCCCCCC
Compound: Waikialoid A
SMILES: O=C1N2[C@@]3(C(=O)NC14C(C(C5=[N+]([O-])C6=C(C75[C@@H]4N8C(=O)[C@@]9%10N(CCC9)C(C8%11C(C(C)(C)C%12=C([C@H]7%11)C%13=C(C%14=C(OC(C)(C)C=C%14)C=C%13)N%12)C%10)=O)C=CC%15=C6C=CC(O%15)(C)C)(C)C)C3)CCC2
Compound: Eutypellazine A
SMILES: S1[C@@]23N(C(=O)[C@]4(SC)CC=5[C@H](N4C2=O)[C@@H](O)C=CC5)[C@@H]6[C@H]([C@H]1CC(=O)[C@@H]6C3)O
Compound: Landomycin Z
SMILES: O=C1C=2C3=C(O)C=C(C)C=C3C[C@H](C2C(=O)C4=C1C=CC=C4OC5OC(C(OC6OC(C(O)C(C6)OC7OC(C(OC8OC(C(OC9OC(C(O)C(C9)O)C)CC8)C)CC7)C)C)C(C5)O)C)O
Compound: Amoenamide C
SMILES: O=C1N2[C@@]3(C(=O)N[C@]14[C@@H](OC)[C@]5(NC=6C7=C(OC(C)(C)C=C7)C=CC6C5=O)C([C@@H]4C3)(C)C)CCC2
Compound: Biseokeaniamide C
SMILES: S1C(=NC=C1)CN(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@@H](NC(=O)CCC)C(C)C)CCC2)C)CC3=CC=CC=C3)CC(C)C)C)C(C)C)C
Compound: 2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,17,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
SMILES: O=C(O)C(CC(=O)OC(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(O)CCCCCC(O)C(O)CN)C)C(CCCC)C)CC(=O)O
Compound: Isoleucinopine
SMILES: O=C(O)[C@@H](N[C@@H](C(=O)O)CCC(=O)O)[C@H](CC)C
Compound: Strobilol B
SMILES: O1[C@@]2(O)[C@](O)([C@H]3[C@H](O)C(=CC[C@@H]3[C@H](C2)C)C)C(C1)=C
Compound: Eutypellazine B
SMILES: S1[C@@]23N(C(=O)[C@]4(SC)CC=5[C@H](N4C2=O)[C@@H](O)C=CC5)[C@@H]6[C@H]([C@H]1C[C@H](O)[C@@H]6C3)O
Compound: (5Z,7E,9)-decatrien-2-one
SMILES: O=C(CC\C=C/C=C/C=C)C
Compound: Chaunopyran A
SMILES: O1[C@@H](/C=C/C=C/C=C/CCC)[C@H](O)[C@@H](O)CC1
Compound: Sclerotiotide H/I/J/K
SMILES: O=C1N([C@H](C(=O)NCCC[C@@H](C(N([C@H]1C(C)C)C)=O)NC(=O)/C=C/C=C/C(O)C(O)C)C)C
Compound: 6-hydroxydopa
SMILES: NC(Cc1cc(O)c(O)cc1O)C(O)=O
Compound: (1E)-N-Hydroxy-2-{5-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}ethanimine
SMILES: O/N=C\CC=1C2=C(C=CC(=C2)/C=C/C(=C)C)NC1
Compound: (5E,7E,9)-decatrien-2-one
SMILES: O=C(CC/C=C/C=C/C=C)C
Compound: Methyl pyridoxatin
SMILES: O=C1N(OC)C=CC(=C1[C@H]2[C@H](C=C)C[C@H](C)C[C@@H]2C)O
Compound: SEK 15
SMILES: O=C1OC(=CC(=C1)O)CC2=C(C(O)=CC(=C2)O)C(=O)C3=C(O)C=C(O)C=C3C
Compound: Myceliothermophin B
SMILES: O=C1N[C@](O)(CC(C)C)C=C1C(=O)[C@H]2[C@H](C(=C[C@@]3([C@@H]2CC[C@@H](C3)C)C)C)/C(=C/C)/C
Compound: Eutypellazine C
SMILES: S1[C@@]23N(C(=O)[C@]4(SC)CC=5[C@H](N4C2=O)[C@@H](O)C=CC5)[C@H]6[C@@H](C3)C([C@@H]1C[C@@H]6O)=O
Compound: Carbamidocyclophane C
SMILES: ClC(Cl)CCCC1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCCC(CCCC)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
Compound: Trichobamide A
SMILES: O=C1[C@H]2[C@@H](C=C(C)[C@H]3[C@@H]2[C@H](OC4=CC=C(C[C@@]56[C@@H]([C@@H]1C(=O)N5)C(C(=O)C)=CO6)C=C4)[C@@H]7[C@H](C[C@H](C[C@@]37C)C)C)C=C
Compound: 9-desmethylherbarine
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1CO[C@@](C3)(O)C
Compound: (4E,6Z)-N-(5-ethyl-5-methyl-2-oxofuran-3-yl)-8-(3-heptyloxiran-2-yl)-3-hydroxyocta-4,6-dienamide
SMILES: O=C1OC(CC)(C)C=C1NC(=O)CC(O)/C=C/C=C\CC2OC2CCCCCCC
Compound: Tyromycic acid C
SMILES: O=C(O)/C(=C\CC[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)=C[C@H]2OC(=O)C)(C)CC1)C)C)/C
Compound: Eutypellazine D
SMILES: S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@@H]5[C@@H](O)C=CC=C5C2)C
Compound: Eurystatin D
SMILES: O=C1NC(C(=O)NCCCC(C(NC(C1=O)C)=O)NC(=O)/C=C/CCC(CC)C)C(C)C
Compound: Isochromophilol A
SMILES: O=C1C=C2C=C(OC[C@@H]2[C@H]([C@]1(O)C)O)/C=C/C(=C/C(CCO)C)/C
Compound: 7-desmethylscorpinone
SMILES: O=C1C2=C(OC)C=C(O)C=C2C(=O)C3=C1C=NC(=C3)C
Compound: Eutypellazine E
SMILES: S([C@@]12N(C(=O)[C@]3(SC)C[C@H]4[C@H](N3C1=O)[C@@H](O)C=CC4=O)[C@@H]5[C@@H](O)C=CC=C5C2)C
Compound: Cyclopiamide D
SMILES: O=C1N(C(=O)CC(=O)C)C(C)(C)C=2C1=C3C(=O)NC4=C3C(=CC=C4)C2
Compound: Flaviogeranin
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C(OC/C=C(/CCC=C(C)C)\C)C(=C2O)C
Compound: TMC-171B
SMILES: O=C(O[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)CO)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)CO)/C(=C/[C@H](C[C@H](CC)C)C)/C)C)/C)C)/C)C)/C
Compound: Secalonic acid J
SMILES: O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)CC[C@H]([C@]6(C(=O)OC)OC5C=C4C)O)=CC=C3O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)C
Compound: 7-desmethyl-6-methylbostrycoidin
SMILES: O=C1C2=C(C(=O)C3=C1C=NC(=C3)C)C(OC)=C(O)C=C2O
Compound: Eutypellazine F
SMILES: S1[C@@]23N(C(=O)[C@]4(SC)CC5[C@H](N4C2=O)[C@@H](O)CCC5=O)[C@@H]6[C@H]([C@H]1CC(=O)[C@@H]6C3)O
Compound: Iso-migrastatin
SMILES: O=C1OC(/C(=C/[C@@H](C(=O)CCCC2CC(=O)NC(C2)=O)C)/C)[C@H]([C@H](O)[C@@H](OC)C=CCCC=C1)C
Compound: 6-hydroxymetatacarboline H
SMILES: O=C(N[C@H](C(=O)O)CC1=CC=CC=C1)C2=NC(=C3NC4=C(C3=C2)C=C(O)C=C4)CCC(=O)N5[C@H](C(=O)O)CCC5
Compound: Hantupeptin B
SMILES: O=C1O[C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)O[C@H]([C@H](C(N[C@H](C(N([C@H]1[C@H](CC)C)C)=O)C(C)C)=O)C)CCCC=C)C(C)C)C)CCC2)CC3=CC=CC=C3
Compound: Secalonic acid K
SMILES: O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)CC[C@@H]([C@@]6(C(=O)OC)OC5C=C4C)O)=CC=C3O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)C
Compound: Eutypellazine G
SMILES: S1[C@@]23N(C(=O)[C@]4(SC)CC5[C@H](N4C2=O)[C@@H](O)CCC5=O)[C@@H]6[C@H]([C@H]1C[C@H](O)[C@@H]6C3)O
Compound: Waspergillamide A
SMILES: O=[N+]([O-])C1=CC=C(C(=O)NCC(=O)OC([C@@H]2NC(=O)/C(=C/C(C)C)/NC2=O)(C)C)C=C1
Compound: Alternarienonic acid
SMILES: O=C1C(C2=C(C(O)=CC(=C2)OC)C(=O)O)=C(C)C[C@H]1O
Compound: Fumonisin C4
SMILES: O=C(O)C(CC(=O)O[C@@H]([C@@H](OC(=O)CC(C(=O)O)CC(=O)O)C[C@H](CCCCCCCC[C@H](O)CN)C)[C@@H](CCCC)C)CC(=O)O
Compound: (1R,4R,13R,14R,18S)-7,13,18-trihydroxy-17-methyl-19,20-dioxapentacyclo[12.4.1.11,4.04,13.06,11]icosa-6(11),7,9,16-tetraene-5,12,15-trione
SMILES: O=C1C=C([C@H](O)[C@@]23O[C@@H]1[C@]4(O)C(=O)C5=C(C(O)=CC=C5)C([C@]4(CC2)O3)=O)C
Compound: Eutypellazine H
SMILES: S1[C@@]23N(C(=O)[C@]4(SC)CC5[C@H](N4C2=O)[C@@H](O)CCC5=O)[C@@H]6[C@@H](O)C=C[C@H]1[C@]6(O)C3
Compound: adenosine-5'-(N-butyl)carboxamide
SMILES: CCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Compound: Ashimide A
SMILES: O=C1NC2=C(C=CC=C2C(=O)OC[C@@H]3NC(=O)[C@@]4(N(C)C(CN4C3=O)=O)CO)OC1(O)CO
Compound: Peristictic acid
SMILES: O=C1OC2=C(C3=C(C(=O)O[C@@H]3O)C(=C2C)O)OC4=C1C(=CC(=C4C(=O)O)OC)C
Compound: Cardinalin-3
SMILES: O=C1C2=C(O)C(C3=C(O)C=4C(=O)C5=C(C[C@H](C)O[C@@H]5C)C(C4C=C3OC)=O)=C(OC)C=C2C(=O)C6=C1[C@H](O[C@H](C6)C)C
Compound: (2R*,4S*)-2-((1′S*)-hydroxy-4′-methylpentyl)-4-(hydroxymethyl)butanolide
SMILES: O=C1O[C@H](CO)C[C@@H]1[C@@H](O)CCC(C)C
Compound: Sterenin B
SMILES: O=C1N([C@H](C(=O)O)CC(=O)O)CC2=C1C=C(OC(=O)C3=C(O)C=C(O)C=C3C)C(=C2O)CC=C(C)C
Compound: Eutypellazine I
SMILES: S([C@]1(NC(=O)/C(=C/C2=CC=CC=C2)/NC1=O)CC3=C(O)C=CC=C3)C
Compound: Daryamide A
SMILES: O=C1C(NC(=O)/C=C/C=C/CC(C)C)=C[C@@](O)(CCC(=O)N)[C@@H](C1)O
Compound: (3R*,4S*,5R*,6S*)-tetrahydro-4-hydroxy-3,5,6-trimethyl-2-pyranone
SMILES: O=C1O[C@H]([C@H](C)[C@@H]([C@H]1C)O)C
Compound: Ashimide B
SMILES: ClC[C@@]12N(C(=O)[C@H](COC(=O)C3=C4NC(=O)C(O)(CO)OC4=CC=C3)NC1=O)CC(N2C)=O
Compound: 24-oxocyclocitrinol
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CCC3[C@@](O)(/C=C/C(=O)C)C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: Ampullosporin E2
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)CC(C)C)CCC(=O)N)C)C)(C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CC=1C2=C(C=CC=C2)NC1)C)(C)C
Compound: Harzianumol A
SMILES: O[C@H]([C@H](O)CC/C=C/C)C/C=C/C=C/C
Compound: Eutypellazine J
SMILES: S([C@]1(NC(=O)[C@](SC)(CC2=CC=CC=C2)NC1=O)CC3=C(O)C=CC=C3)C
Compound: 1-O-(phenylacetyl)glycerol
SMILES: O=C(OC[C@@H](O)CO)CC1=CC=CC=C1
Compound: Macrolactin N
SMILES: O=C1OC(CCCC=CCCC(=O)CCCC=CC=C[C@H](CC=CC=C1)O)C
Compound: Kitacinnamycin H
SMILES: O=C1O[C@@H]([C@@H](NC(=O)/C=C/C2=C(C=CC=C2)/C=C/C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(NCC(NCC(N[C@H](C(N[C@H]1CC(C)C)=O)C(C)C)=O)=O)=O)C(C)C)CC3=CC=CC=C3)C)[C@@H](CC)C)CC(=O)N)C
Compound: Methyleutypinol
SMILES: O(C1=C(C#CC(=C)C)C=C(CO)C=C1)C
Compound: Altertoxin IV
SMILES: O1[C@H]2[C@H](O)C=3C(O)=CC=C4C3[C@@H]([C@@H]12)C5=C6C(=C(O)C=C5)[C@@H](O)[C@H]7[C@@H]([C@@H]46)O7
Compound: (22S,24E)-22-acetoxy-7alpha,15alpha-dihydroxy-3-oxoanosta-8,24-dien-26-oic acid
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)\C)C)C[C@@H]4O)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C
Compound: Actagardine, unoxidised form
SMILES: S1C(C2NC(=O)C(NC(=O)C(NC(=O)C3NC(=O)C(NC(=O)C(NC(=O)CNC(C(NC(C(CSC3)N)=O)CO)=O)CC=4C5=C(C=CC=C5)NC4)C(C)C)C(SCC(NC(C(NC(C(NC2=O)C(CC)C)=O)CCC(=O)O)=O)C(=O)NCC(NC6C(NC(C(NC(C(NC(C1)C(=O)NC(C(=O)NC(C(=O)O)CSC6C)C)=O)C(CC)C)=O)C(C)C)=O)=O)C)CC(C)C)C
Compound: Eutypellazine L
SMILES: S([C@]1(NC(=O)[C@@](O)(CC2=CC=CC=C2)NC1=O)CC3=CC=CC=C3)C
Compound: Kitacinnamycin G
SMILES: O=C1O[C@@H]([C@@H](NC(=O)/C=C/C2=C(C=CC=C2)/C=C/C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(NCC(NCC(N[C@H](C(N[C@H]1CC(C)C)=O)C(C)C)=O)=O)=O)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC(=O)N)C
Compound: (24E)-15alpha-acetoxy-3beta-hydroxylanosta-8,24-dien-26-oic acid
SMILES: O=C(O)/C(=C/CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)[C@H](C1)OC(=O)C)C)C)/C
Compound: Xyloketal G
SMILES: O=C(C1=C(O)C=C2O[C@]3(OC[C@@H]([C@H]3CC2=C1)C)C)C
Compound: Beauveriolide III
SMILES: O=C1O[C@H]([C@H](CCCC)C)CC(=O)N[C@@H](CC2=CC=CC=C2)C(N[C@H](C(N[C@@H]1[C@@H](CC)C)=O)C)=O
Compound: F-Met I
SMILES: F[C@@]1(O[C@@H](N2C3=NC=NC(=C3N=C2)N)[C@@H]([C@@H]1O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)O)CO
Compound: Erinarol B
SMILES: O=C(O[C@H]1C2=C3[C@@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC3)(CC[C@@H]2[C@]4(CC[C@@H](C[C@@]54[C@H]1O5)O)C)C)CCCCCCC/C=C\C/C=C\CCCCC
Compound: (24E)-15alpha-acetoxy-3-oxolanosta-8,24-dien-26-oic acid
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/C(=O)O)\C)C)C[C@@H]4OC(=O)C)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Eutypellazine M
SMILES: O=C1N[C@](O)(C(=O)N[C@@]1(OC)CC2=CC=CC=C2)CC3=CC=CC=C3
Compound: Nodulisporic acid C2
SMILES: O=C(O)C(C(O)[C@H]1O[C@@]2(O)CC[C@]3([C@H]([C@@]2(C1)C)CC[C@@H]4[C@@]3(C=5NC=6C(=C7[C@@H](O)[C@@H]8C(OC(C=C8C7=CC6C5C4)(C)C)(C)C)CC=C(C)C)C)C)C
Compound: 10-methoxydihydrofuscin
SMILES: O=C1OC(C=2C(O)=C(O)C3=C(C2C1OC)CCC(O3)(C)C)C
Compound: 6-demethylsorbicillin
SMILES: O=C(C1=C(O)C=C(O)C(=C1)C)/C=C/C=C/C
Compound: F-Met II
SMILES: S(=O)(=O)(OC[C@@]1(F)O[C@@H](N2C3=NC=NC(=C3N=C2)N)[C@@H]([C@@H]1O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)O)N
Compound: XR-334
SMILES: O=C/1N/C(/C(=O)N\C1=C/C2=CC=C(OC)C=C2)=C\C3=CC=CC=C3
Compound: (+)-versiorcinol A
SMILES: O1[C@@H](C2=C(OC3=CC(O)=CC(=C3)C)C=C(O)C=C2C)C=4C(O)=CC=CC4C1
Compound: (24E)-3beta,15alpha-diacetoxy-7alpha-methoxylanosta-8,24-dien-26-oic acid
SMILES: O=C(O)/C(=C/CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)C[C@H]3OC)C)CC2)(C)[C@H](C1)OC(=O)C)C)C)/C
Compound: GL-1
SMILES: O=C(O[C@H](COC(=O)CCCCCCCC1C(CCCCCCCC)C1)CO[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)CCCCCCC/C=C\CCCCCCCC
Compound: (-)-versiorcinol A
SMILES: O1[C@H](C2=C(OC3=CC(O)=CC(=C3)C)C=C(O)C=C2C)C=4C(O)=CC=CC4C1
Compound: Avertoxin C
SMILES: O=C1OC(=C(C)C(=C1)OC/C=C(/C(=O)OC)\C)/C=C/C=C/C=C/[C@H]2O[C@H]3O[C@H](C)[C@@]([C@]3([C@H]2O)C)(O)C
Compound: Macrolepiotin
SMILES: O=C1N(C2=CC=C(OC(=O)C(NC(C(=O)O)C(CC)C)CC=3C4=C(C=CC=C4)NC3C(C(=O)O)C)C=C2)C(OC)CC1
Compound: (12S,13R)-12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,16,18(23),20-nonaene-7,19-dione
SMILES: O=C1C2=C(O)C(OC)=C3[C@H](C(=O)C)[C@@](O)(C)CC=4C5=C3C2=C(C6=C5C(=C(O)C4OC)C(=O)C=C6OC)C(=C1)OC
Compound: (24E)-3alpha,15alpha-diacetoxy-7alpha-methoxylanosta-8,24-dien-26-oic acid
SMILES: O=C(O)/C(=C/CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)C)CC4)(C)C)C[C@H]3OC)C)CC2)(C)[C@H](C1)OC(=O)C)C)C)/C
Compound: Calphostin A
SMILES: O=C1C2=C(O)C(OC)=C(CC(OC(=O)C3=CC=CC=C3)C)C=4C2=C(C5=C6C(=C(O)C(=C(C46)CC(OC(=O)C7=CC=CC=C7)C)OC)C(=O)C=C5OC)C(=C1)OC
Compound: Plicatilisin E
SMILES: O=C1C(=C2C=C3[C@]([C@@H](C(C)C)[C@H]([C@H]3O)O)(C)CC[C@]2(C)C=C1)CO
Compound: (+)-versiorcinol B
SMILES: O1C2=C(C(=CC(=C2)OC3=CC(O)=CC(=C3)C)C)[C@H]4OCC=5C4=C1C=CC5
Compound: Beijinchrome A
SMILES: O=C(CC=1C(O)=C(O)C2=C(OC)C=CC=C2C1)C
Compound: Phomoeuphorbin D
SMILES: O=C1C=2C(=C[C@H]([C@]1(O)C)O)C[C@H](C(O)C(O)/C=C/C)OC2
Compound: Palmarumycin C10
SMILES: O=C1C=CC(=O)[C@]23[C@]1(O2)C4(OC=5C=6C(C=CC5)=CC=CC6O4)[C@@H]7O[C@@H]7[C@@H]3O
Compound: (22S,24E)-15alpha,22-diacetoxy-7alpha-methoxy-3-oxolanosta-8,24-dien-26-oic acid
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)\C)C)C[C@@H]4OC(=O)C)(C)CC3)C)[C@@H](C2)OC)(C)CC1)(C)C
Compound: 8-desmethoxy-isomigrastatin
SMILES: O=C1O[C@@H](/C(=C/[C@@H](C(=O)CCCC2CC(=O)NC(C2)=O)C)/C)[C@H]([C@H](O)CC=CCCC=C1)C
Compound: (-)-versiorcinol B
SMILES: O1C2=C(C(=CC(=C2)OC3=CC(O)=CC(=C3)C)C)[C@@H]4OCC=5C4=C1C=CC5
Compound: Tricycloalternarene 8a
SMILES: O=C1C2=C(OC3(CCC(C3C2)/C(=C\C/C=C(/CO)\C)/C)C)C(O)CC1
Compound: Beijinchrome B
SMILES: O=C(CC=1C(O)=C(OC)C2=C(O)C=CC=C2C1)C
Compound: 1,2-Dihydro-acetoxydehydroaustin B
SMILES: O=C1O[C@]2(C(=C)[C@@]34[C@]1(O[C@@]5(C(=C)[C@@]6(C(OC(=O)CC6)(C)C)C[C@H]([C@]35C)OC(=O)C)[C@@H]2OC(=O)C)[C@H](OC4=O)C)C
Compound: Botryosphaeriodiplodin
SMILES: O=C1O[C@H](CCCC(O)CCCC=2C1=C(OC)C=C(O)C2)C
Compound: (24E)-3beta,7alpha-diacetoxy-15alpha-hydroxylanosta-8,24-dien-26-oic acid
SMILES: O=C(O)/C(=C/CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)C[C@H]3OC(=O)C)C)CC2)(C)[C@H](C1)O)C)C)/C
Compound: (+)-versiorcinol C
SMILES: O1C2=C(C(OC3=CC(O)=CC(=C3)C)=CC(=C2)C)[C@@H]4OCC=5C4=C1C=CC5
Compound: Curvularide E
SMILES: O=C(N[C@@H]([C@H](CC)C)CO)/C=C/C(O)([C@@H]1O[C@H](CC)C[C@@H]1C)C
Compound: Beijinchrome C
SMILES: O=C1C(=O)C(=CC=2C1=C(OC)C=CC2)C[C@H](O)C
Compound: Oridamycin A
SMILES: O=C(O)[C@]1([C@@H](O)CC[C@]2([C@H]1CCC3=C2C=C4C5=C(C=CC=C5)NC4=C3)C)C
Compound: Haterumalide X
SMILES: ClC1=CCC=C([C@@H](OC(=O)C)CC(=O)OC2C[C@H](CC1)O[C@H]2[C@@H]3OC(=O)CC(=C3)C)C
Compound: (22S,24E)-15alpha-hydroxy-3beta,7alpha,22-triacetoxylanosta-8,24-dien-26-oic acid
SMILES: O=C(O)/C(=C/C[C@H](OC(=O)C)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)C[C@H]3OC(=O)C)C)CC2)(C)[C@H](C1)O)C)C)/C
Compound: Beijinchrome D
SMILES: O=C(C=1C(O)=CC2=CC=CC3=C2C1C[C@](O)(C)O3)C
Compound: FR901483
SMILES: P(=O)(OC1C2C(O)C(N3CC(CC3(C2)CC1)NC)CC4=CC=C(OC)C=C4)(O)O
Compound: Trichocarane A
SMILES: O1[C@@]2(CC[C@H]3[C@](O)(C(C)C)[C@H](C[C@@]3(C[C@H]12)C)O)C
Compound: (-)-versiorcinol C
SMILES: O1C2=C(C(OC3=CC(O)=CC(=C3)C)=CC(=C2)C)[C@H]4OCC=5C4=C1C=CC5
Compound: Quinoxapeptin B
SMILES: O=C1OC[C@@H](NC(=O)C2=NC=3C(=CC(OC)=CC3)N=C2)C(=O)N4N=CC[C@@H]([C@H]4C(=O)NCC(=O)N(CC(=O)N([C@H](C(=O)OC[C@H](C(N5[C@H](C(NCC(N(CC(N([C@H]1C(O)(C)C)C)=O)C)=O)=O)C(OC(=O)C)CC=N5)=O)NC(=O)C6=NC=7C(=CC(OC)=CC7)N=C6)C(O)(C)C)C)C)OC(=O)[C@H]8[C@H](C)C8
Compound: (22S,24E)-3beta,22-diacetoxy-7alpha-hydroxylanosta-8,24-dien-26-oic acid
SMILES: O=C(O)/C(=C/C[C@H](OC(=O)C)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)C[C@H]3O)C)CC2)(C)CC1)C)C)/C
Compound: Albocycline A
SMILES: O=C1O[C@@H]([C@@](O)(CCC=C(C)[C@H](C=C[C@](C=C1)(O)C)O)C)C
Compound: Sumalactone A
SMILES: O=C1O[C@H](CCCC(C2=C(C1)C=C(O)C=C2O)=O)C[C@@H](O)C
Compound: 18-Deoxy-19,20-epoxycytochalasin Q
SMILES: O=C1[C@H]([C@@H]2O[C@H]2[C@@H](OC(=O)C)[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)[C@@]5([C@H](C4C=CC[C@@H]1C)O5)C)CC6=CC=CC=C6)C
Compound: Oxasetin
SMILES: O=C1NC(=O)C(=C1O)C(=O)[C@]2([C@H]3[C@H](C=C([C@H]2CCC)C)C[C@H](C)CC3)C
Compound: Tupuseleiamide A
SMILES: O=C(O)[C@H](NC(=O)[C@H](NC(=O)CCCCCC(C)C)CO)CC1=CC=C(O)C=C1
Compound: Albocycline B
SMILES: O=C1O[C@@H]([C@@H](CCC=C(C)[C@H](C=C[C@](C(C1)O)(O)C)OC)C)C
Compound: (24E)-3beta-acetoxy-7alpha,15alpha-dihydroxylanosta-8,24-dien-26-oic acid
SMILES: O=C(O)/C(=C/CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)C[C@H]3O)C)CC2)(C)[C@H](C1)O)C)C)/C
Compound: Sumalactone B
SMILES: O=C1O[C@@H](CCCC(C2=C(C1)C=C(O)C=C2O)=O)C[C@@H](O)C
Compound: Rimboxo
SMILES: O1C2C(OC3C1COC3)COC2
Compound: Radianspene G
SMILES: O=C1C2=C3[C@@](CC[C@]4([C@@H]([C@H]3OC2)[C@H](OC(=O)C)C(=O)[C@@H]4C(C)C)C)(C)CC1
Compound: 3-hydroxy-1-(2,6-dihydroxyphenyl)butan-1-one
SMILES: O=C(C1=C(O)C=CC=C1O)C[C@@H](O)C
Compound: Albocycline C
SMILES: O=C1O[C@@H]([C@](O)(CCC=C(C)[C@H](C=C[C@](CC1)(O)C)OC)C)C
Compound: (22S,24E)-3beta,22-diacetoxy-7alpha,15alpha-dihydroxylanosta-8,24-dien-26-oic acid
SMILES: O=C(O)/C(=C/C[C@H](OC(=O)C)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)C[C@H]3O)C)CC2)(C)[C@H](C1)O)C)C)/C
Compound: Alantryphenone
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@]4(NC([C@H]2C[C@@]45C6=C(C=CC=C6)N7[C@@H]5N[C@H](CC8=CC=CC=C8)C7=O)=O)C
Compound: Sumalactone C
SMILES: O=C1O[C@@H]([C@@H](O)C)CCCCC(C2=C(C1)C=C(O)C=C2O)=O
Compound: 8-demethoxy-10-deoxysteffimycinone
SMILES: O=C1C2=C(O)C3=C(CC(O)(C)CC3O)C=C2C(=O)C=4C1=C(O)C=C(OC)C4
Compound: Albocycline D
SMILES: O=C1O[C@@H]([C@@H](CCC(O)C(=C)[C@H](C=C[C@](C=C1)(O)C)OC)C)C
Compound: Bacillcoumacin E
SMILES: S([C@@H]1[C@H](OC(C1)=O)[C@H](O)C(=O)N[C@H]([C@H]2OC(=O)C=3C(O)=CC=CC3C2)CC(C)C)C
Compound: (24E)-7alpha-hydroxy-3-oxolanosta-8,24-dien-26-oic acid
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/C(=O)O)\C)C)CC4)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C
Compound: Sumalactone D
SMILES: O=C1O[C@H]([C@@H](O)C)CCCCC(C2=C(C1)C=C(O)C=C2O)=O
Compound: Halomadurone C
SMILES: Br[C@H](Cl)C=1OC(=CC(C1)=O)/C=C/C(=C/CC)/C
Compound: Gliocladinin C
SMILES: O1[C@@H](OC2=C(O)C(=C(OC)C=C2C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: (-)-dalmanol A
SMILES: O=C1C=2C=3C=4C(OC=5C=CC=C(C5C4[C@@H](O)[C@@H](C3C(=C1)O)C)O)=CC2O
Compound: (24E)-3beta-acetoxy-15alpha-hydroxy-7-oxolanosta-8,24-dien-26-oicacid
SMILES: O=C1C2=C([C@]3(CC[C@@H](C([C@@H]3C1)(C)C)OC(=O)C)C)CC[C@]4([C@]2([C@@H](O)C[C@@H]4[C@@H](CC/C=C(/C(=O)O)\C)C)C)C
Compound: (2R,4bS,6aS,12bS,12cR)-9-isopentenylpaxilline
SMILES: O=C1C=C2C(=CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=CC(=CC6C5C4)C(C=C)(C)C)C)C)O[C@@H]1C(O)(C)C
Compound: Versicotide D
SMILES: O=C1N2C3=C(C=CC=C3)C[C@@H]2C(=O)NCC(=O)N4[C@H](C(N[C@H]1C)=O)CC=5C=CC=CC45
Compound: Erinacerin B
SMILES: O=C1OCC2=C1C=C(OC)C(=C2O)C/C=C(/C[C@H](O)C=C(C)C)\C
Compound: Chaetominin A
SMILES: O=C(OCCCC)CC[C@H]1[C@H](O)[C@@H](C=CC=C)OC1
Compound: Penarine F
SMILES: O=C(O)C1=C[C@H]2CC[C@H](C32[C@@H]1CC(C(=O)O)=C3)C
Compound: (22S,24E)-22-acetoxyl-3alpha-hydroxy-7-oxolanosta-8,24-dien-26-oic acid
SMILES: O=C1C2=C([C@]3(CC[C@H](C([C@@H]3C1)(C)C)O)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)\C)C)C)C
Compound: Micropeptin MZ1019
SMILES: S(=O)(=O)(O[C@@H](C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H]([C@H](CC)C)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)C)=O)[C@H](OC)CC2)CCCN=C(N)N)COS(=O)(=O)O)O
Compound: Versicotide E
SMILES: O=C1N2[C@H](C(=O)NC3=C(C(=O)N[C@H](C(N([C@H](C(NC4=C1C=CC=C4)=O)C)C)=O)C)C=CC=C3)CCC2
Compound: Chaetominin B
SMILES: O1[C@H]([C@H](O)C(=CC=CCC)CO)CC[C@@H]1CO
Compound: (6E)-3,5-Dihydroxy-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)-6-heptenoic acid
SMILES: S1C(=NC(=C1)/C=C(/C(O)CC(O)CC(=O)O)\C)C
Compound: 2-methylaminobenzoyl 6-deoxy-alpha-L-talopyranoside
SMILES: O=C(O[C@@H]1O[C@H]([C@@H](O)[C@H]([C@H]1O)O)C)C2=C(NC)C=CC=C2
Compound: 8-Acetoxyroridin E
SMILES: O=C1OC[C@@]23[C@@]4(C5(OC5)[C@H](O[C@@H]2C=C(C)[C@H](C3)OC(=O)C)C[C@H]4OC(=O)C=CC=C[C@@H](OCCC(=C1)C)[C@H](O)C)C
Compound: Versicotide F
SMILES: O=C1N([C@H](C(=O)NC2=C(C(=O)N[C@H](C(N3[C@H](C(NC4=C1C=CC=C4)=O)CCC3)=O)C)C=CC=C2)C)C
Compound: 14-Methylpentadec-8-en-2-one
SMILES: O=C(CCCCC/C=C\CCCCC(C)C)C
Compound: 2,5-dimethyl-3-(2-methylpropyl)pyrazine
SMILES: N1=C(C(=NC=C1C)C)CC(C)C
Compound: Botryopimarene A
SMILES: O[C@@H]1C([C@H]2[C@](C3=CC[C@]([C@H](O)CO)(C)C[C@@H]3[C@H](C2)O)(C)CC1)(C)C
Compound: 3-(4-hydroxyphenyl)-4-isobutyl-1H-pyrrole-2,5-dione
SMILES: O=C1NC(=O)C(=C1C2=CC=C(O)C=C2)CC(C)C
Compound: Ulleungoside
SMILES: O=C1C(NC(=O)C)=CC(=O)C2=C1C=C(C)C(=C2)O[C@@H]3O[C@H]([C@@H](O)[C@H]([C@H]3O)O)C
Compound: Stachybonoid A
SMILES: O=C(OCC1=C(C=2O[C@](C=CC2C(=C1)O)(CC/C=C(\CC[C@@H](O)C(OC)(C)C)/C)C)C=O)C
Compound: Bromomonamycin I
SMILES: BrC1CNN2C(=O)[C@@H](OC(=O)[C@H](NC(=O)[C@@H]3CC(CN3C([C@H](N(C([C@H]4N(C([C@H]2C1)=O)NC[C@@H](O)C4)=O)C)CC(C)C)=O)C)C(C)C)C(C)C
Compound: Nodulopeptin 901
SMILES: S(CC[C@@H]1NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](C(C)C)NC([C@@H](CCCCNC1=O)NC(=O)N[C@H](C(=O)O)CC2=CC=CC=C2)=O)CCC3=CC=CC=C3)C)CCC4=CC=C(O)C=C4)C
Compound: TAN-1496-D
SMILES: S1S[C@]23N([C@@H]4C[C@@]5(O[C@H](C)C(C5=O)(C)C)[C@H]([C@@]4(C2)O)O)C(C1(N(C)C3=O)CO)=O
Compound: Naphthomycinoside
SMILES: ClC1=C(O[C@@H]2O[C@H]([C@@H](O)[C@H]([C@H]2O)O)C)C=3C(=CC(C)=C(C3)O)C(=C1NC(=O)\C=C/C=C\C=C\[C@@H]([C@@H](O)CC(=O)/C(=C/C[C@H](O)/C=C/[C@@H]([C@H](O)[C@H](/C=C(/C(=O)O)\C)C)C)/C)C)O
Compound: Tolypocladin K
SMILES: O1[C@H](C(O)(C)C)[C@@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=C(CC=C(C)C)C=CC7C6C5)C)C)O2
Compound: Stachybonoid B
SMILES: O=C(OCC1=C(C=2O[C@](C=CC2C(=C1)O)(CC/C=C(\CC[C@@H](O)C(O)(C)C)/C)C)C=O)C
Compound: Tetrahydro-4-hydroxy-6-propylpyran-2-one
SMILES: O=C1O[C@@H](C[C@@H](C1)O)CCC
Compound: 1beta,5alpha,6alpha,14-tetraacetoxy-9alpha-benzoyloxy-7beta H-eudesman-2beta,11-diol
SMILES: O=C(O[C@H]1[C@@]2([C@@](OC(=O)C)([C@@H](OC(=O)C)[C@H](C1)C(O)(C)C)[C@H](C[C@H]([C@H]2OC(=O)C)O)C)COC(=O)C)C3=CC=CC=C3