MonarchInit/C3PO huggingface dataset:
Compound: Hexagonin C
SMILES: O=C1OC2(O[C@H]3[C@@H]([C@]4(CCC5=C([C@@]4(C3)C)CCC6[C@@]5(CC[C@H](C6(C)C)OC(=O)C)C)C)[C@@H](C2)C)C(=C1C)C
Compound: 35-O-alpha-Altruronopyranosylbacteriohopanetetrol 2beta-methyl
SMILES: O=C(O)[C@H]1O[C@H](OCC(O)C(O)C(O)CC[C@@H](C2C3[C@](C4[C@@]([C@]5(C([C@@]6(C(C(C[C@H](C6)C)(C)C)CC5)C)CC4)C)(C)CC3)(C)CC2)C)[C@@H](O)[C@@H]([C@@H]1O)O
Compound: Altenuic acid III
SMILES: O=C1OC(CC(=O)O)(C)C(C1)C2=C(C(O)=CC(=C2)OC)C(=O)O
Compound: Melleolide Q
SMILES: ClC1=C(O)C=C(O)C(=C1C)C(=O)O[C@H]2[C@]3(O)[C@]([C@@H]4[C@@H](CC(C4)(C)C)[C@@H]([C@H]3CO)O)(C)C2
Compound: (+)-neopestalotin E
SMILES: O=C1C(=C(C)O[C@@]1(NC(=O)/C=C(/CCOC(=O)C)\C)C)C
Compound: Konakhin
SMILES: ClC(C(O)C(=O)CC(CCCC(/C=C/C=C(/CCCC1=COC=C1)\C)C)C)C
Compound: Wortmannilactone E
SMILES: O=C1OC2C(C)C(C1([C@]2(/C=C/C=C/C=C/C=C(/[C@@H]3O[C@H]([C@](O)(C)C=C3C)C)\C)C)C)=O
Compound: Epicoccamide
SMILES: O=C1N(C(C)C(C1=C(O)C(CCCCCCCCCCCCCCO[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)C)=O)C
Compound: Psychrophilin F
SMILES: O=C1N2C3=C(C=CC=C3)C(=C2)C[C@H](N(C(=O)C)C)C(=O)N4[C@H](C(NC5=C1C=CC=C5)=O)CCC4
Compound: 3-methoxy-1,4,8-trihydroxy-5-(1',3',4'-trihydroxybutan-2-yl)xanthone
SMILES: O=C1C2=C(OC3=C1C(O)=CC=C3C(C(O)CO)CO)C(O)=C(OC)C=C2O
Compound: (1S,2R)-3-oxo-2-pentylcyclopentane-1-butyric acid
SMILES: O=C1[C@@H]([C@@H](CCCC(=O)O)CC1)CCCCC
Compound: Lucensimycin G
SMILES: S(C[C@H]1OC(=O)[C@@]2(C1=O)C(=O)[C@]3([C@@H](C=C[C@@H]4[C@@H]3C[C@@H](OC(=O)C)[C@@H]([C@H]4O)C)C[C@H]2C=CC=CC=CC(=O)O)C)C[C@@H](NC(=O)C)C(=O)N[C@H]5[C@H](O[C@@H](CO)[C@H]([C@@H]5O)O)OC6[C@@H](O)[C@@H](O)C(O)[C@H]([C@@H]6O)O
Compound: Phenazostatin C
SMILES: O=C(OC)C=1C2=NC=3C(=CC=CC3)N=C2C([C@H](C=4C5=NC=6C(=C(C(=O)OC)C=CC6)N=C5C=CC4)C)=CC1
Compound: N-(6-O-carbamoyl-beta-D-glucopyranosyl)-N-demethylansamitocin P
SMILES: ClC1=C(OC)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)COC(=O)N)=O)OC(=O)CC)(O4)C)C)C3)=O)C
Compound: Cebetin A
SMILES: ClC1=C(O)C=2C(O)=C3C(=O)CC[C@@H]([C@@]3(C(=O)OC)OC2C4=C1C[C@]56C(=O)C7=C(C(O)=CC=C7O)C(=C5C([C@H]4[C@]8(O[C@@H]68)C)=O)O)O
Compound: 4-aminobenzenesulfonate
SMILES: Nc1ccc(cc1)S([O-])(=O)=O
Compound: Exumolide A
SMILES: O=C1N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(N3[C@H](C(O[C@H]1CC(C)C)=O)CCC3)=O)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(C)C)C)CCC2
Compound: Lobophorin D
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](OC4OC(C(NC(=O)OC)C(C4)(N)C)C)CC=C([C@H]5[C@@](C(=C1C2=O)O)([C@H]6[C@@H]([C@@H](OC7OC(C(O)C(C7)OC8OC(C(OC9OC(C(OC)C(C9)O)C)C(C8)O)C)C)[C@H](C)C[C@@H]6C)C=C5)C)C)C)C=C(CO)[C@@H](C3)C
Compound: Psoracorylifol D
SMILES: O1[C@H](C2=CC=C(O)C=C2)[C@H]3[C@@](C=C)(C)CC[C@@H]1C3(C)C
Compound: Nocardimicin D
SMILES: O=C1N(O)CCCCC1NC(=O)C(C(OC(=O)C(NC(=O)C=2N=C(C3=C(O)C=CC=C3)OC2)CCCCN(O)C(=O)C)CCCCCCCCCCCCC)C
Compound: Microsphaeropsone B
SMILES: O=C1C2=C(OC3C1[C@H](C(=O)OC)[C@H](O)C(C)=CO3)C=CC=C2O
Compound: Myrothecol A
SMILES: ClC=1C(=O)[C@@]2(O[C@@H]2[C@H](C1CO)O)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCC[C@]4(CO)C)C
Compound: Viridenepoxydiol
SMILES: O1C(C(O)(C(CC(O)(CCC=C(C)C)C)C)C)C1
Compound: 3-Hydroxy-N-phenethyl-butyramide
SMILES: O=C(NCCC1=CC=CC=C1)C[C@@H](O)C
Compound: Malleobactin D
SMILES: O=C(O)[C@H](O)[C@@H](NC(=O)[C@@H](NC=O)CCC/[N+](/[O-])=N/CCC[C@H](NC=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCCN)CCCN(O)C=O)CO)[C@@H](O)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCCN)CCCN(O)C=O)CO
Compound: Chaetomugilin H
SMILES: ClC1=C2C(=COC(=C2)/C=C/[C@H](CC)C)C3C(C(=O)OC)=C(O[C@@]3(C1=O)C)[C@@H]([C@H](O)C)C
Compound: Xestodecalactone F
SMILES: O=C1O[C@H](C[C@@H](OCCCC)C=CC2=C(C1)C=C(O)C(=C2O)OC)C
Compound: Abscisterol A
SMILES: O1[C@H]2[C@@H](O)CC[C@]3(C1)[C@@H]4C([C@H]5[C@](/C(=C/CCC(=C)C(C)C)/CC5)(C)CC4)=CC[C@@H]23
Compound: Trisorbicillinone D
SMILES: O=C1C(=C(O)/C=C/C=C/C)[C@H]2[C@@](O)(C)C([C@@]1([C@@H](/C=C/C(O)=C3C(=O)[C@@]4([C@]5(O[C@@]6([C@@H]4C(=C(O)/C=C/C=C/C)C([C@]7([C@@H]3[C@@]5(O[C@@]76O)C)C)=O)C)O)C)[C@@H]2C)C)=O
Compound: 1,2-Dihydrohelvolic acid
SMILES: O=C1[C@@]2([C@@]3([C@H](/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C3)OC(=O)C)CC[C@H]2[C@]4(CCC([C@H]([C@@H]4[C@@H]1OC(=O)C)C)=O)C)C)C
Compound: Epi-Leucinopine
SMILES: O=C(O)[C@@H](N[C@@H](C(=O)O)CCC(=O)O)CC(C)C
Compound: Botryorhodine F
SMILES: O=C1OC2=C(C(=O)[C@@H](O)[C@]([C@H]2OC3=C1C(=CC(=C3CO)O)C)(O)C)C
Compound: 1-(4-Ethylphenyl)-1,2-ethanediol
SMILES: O[C@H](C1=CC=C(CC)C=C1)CO
Compound: Frustulosinol
SMILES: OC1=C(C#CC(=C)C)C(=C(O)C=C1)CO
Compound: Erythropterin
SMILES: O=C1NC(=NC2=C1NC(=O)C(CC(=O)C(=O)O)=N2)N
Compound: (3R)-3,7,8-trihydroxy-3-methyl-4,5-dihydro-2H-benzo[a]anthracene-1,6-dione
SMILES: O=C1C2=C(O)C3=C(O)C=CC=C3C=C2C=4C(=O)C[C@@](CC4C1)(O)C
Compound: Xestodecalactone E
SMILES: O=C1O[C@H](C[C@@H](OCCCC)CC(C2=C(C1)C=C(O)C(=C2O)OC)=O)C
Compound: Cryptophycin-19
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)C(C)C)[C@@H](/C=C/C3=CC=CC=C3)C
Compound: Pestalotiopyrone H
SMILES: O=C1OC(/C(=C/[C@@H]2OC(=O)[C@@H](C2)O)/C)=CC(=C1)OC
Compound: 4,4'-(3-hydroxypropane-1,1-diyl)diphenol
SMILES: OC1=CC=C(C(C2=CC=C(O)C=C2)CCO)C=C1
Compound: Depsidellin A
SMILES: O=C(OC1=CC(OC(=O)C2=C(O)C=C(OC)C=C2CCC)=CC(=C1)CCCCC)C3=C(O)C=C(OC)C=C3CCC
Compound: Talapolyester E
SMILES: O=C1O[C@@H](CC(=O)O[C@H](CC(=O)O[C@@H](CC=2C=C(O)C=C(C2C(O[C@H](CC(O[C@@H](CC=3C1=C(O)C=C(O)C3)C)=O)C)=O)O)C)COC(=O)C)C
Compound: Adonixanthin diglucoside
SMILES: O=C1C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)CC2(C)C)C)\C)\C)/C)/C)C(C)(C)C[C@@H]1O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)C
Compound: Pimprinine
SMILES: O1C(C=2C3=C(C=CC=C3)NC2)=CN=C1C
Compound: methyl-3′,5′-dichloro-4,4′-di-O-methylatromentate
SMILES: ClC1=C(OC)C(Cl)=CC(=C1)/C(=C/2\OC(=O)C(=C2O)C3=CC=C(OC)C=C3)/C(=O)OC
Compound: Roseopurpurin F
SMILES: O=C1C(=C(O)[C@H](O)[C@@]([C@H]1OC2=C(C(=CC(=C2C)O)C)C(=O)OC)(OC)C)C
Compound: Xylerythrin
SMILES: O=C1C(=O)C(C2=CC=CC=C2)=C3C(C4=CC=C(O)C=C4)=C(OC3=C1C5=CC=CC=C5)O
Compound: Curvopeptin-5
SMILES: S1CC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)CN)CC(=O)O)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(NC(C(NC(C(NC(C1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)C(=O)NC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)C)C(NC(C(NC(CNC(CSC2)C(=O)CC(C(=O)O)CC(C)C)CC(C)C)=O)CC(C)C)=O)=C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)CCCCN)CC(=O)O)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)=C)C)=C
Compound: Armochaetoglobin O
SMILES: O=C1C=2NC([C@@]34C(=O)N[C@H]([C@@H]3C(C)=C([C@H]([C@@H]4C=CC[C@@H](C[C@@H]1C)C)O)C)CC=5C6=C(C=CC=C6)NC5)=CC2
Compound: (7beta)-7,29-dihydroxysoyasapogenol B
SMILES: O[C@H]1[C@]2([C@H](C3=CC[C@@H]4[C@@]5([C@H]([C@]([C@@H](O)CC5)(CO)C)C[C@@H]([C@]4([C@]3(C)CC2)C)O)C)C[C@@](C1)(CO)C)C
Compound: Leupyrrin C
SMILES: O=C1OCC2OC(C=3NC(CC=C(C4C(OC(C[C@@H]1CC(C)C)=O)C(C(=O)O4)(CO)C)C)=CC3)=NC2/C=C\5/C(=C(/CCCO)\C)/COC5CC(C)C
Compound: 3-O-acetylganoderic acid B
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)CC(C(=O)O)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)OC(=O)C)C
Compound: Drechslerine G
SMILES: O=CC1[C@]2(OC[C@H]3C1[C@@H](C(C)C)CCC23C)CO
Compound: Apratoxin A sulfoxide
SMILES: S1(=O)C2=N[C@H](C1)C=C(C(=O)N[C@H](C(=O)N([C@H](C(=O)N(C)[C@H](C(N3[C@H](C(O[C@@H](C[C@H](C[C@@H]([C@@H]2C)O)C)C(C)(C)C)=O)CCC3)=O)[C@H](CC)C)C)C)CC4=CC=C(OC)C=C4)C
Compound: Subenniatin A
SMILES: O=C(O[C@@H](C(=O)N([C@H](C(=O)O)C(C)C)C)C(C)C)[C@H](N(C(=O)[C@H](O)C(C)C)C)C(C)C
Compound: Boydine B
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=CC4)[C@@H]5[C@@H](OC(=O)[C@@H]([C@@H](O)[C@@H](C(=O)C(=CC)C)C)C)C=CC=C5C2)C
Compound: Nodulisporol
SMILES: O(C1=C2C(=CC=C1)C(O)CCC2O)C
Compound: gamma-glutamylmethionine sulfoximine
SMILES: S(=O)(=N)(CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)C
Compound: (4R,8S)-8,14,16-trihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,10-dione
SMILES: O=C1O[C@@H](CCC[C@H](O)CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Curacin B
SMILES: S1C(=N[C@@H](C1)/C=C\CC\C=C/C=C(\CC[C@@H](OC)CC=C)/C)[C@H]2[C@@H](C)C2
Compound: Cyathin C5
SMILES: O=C(O)C(C1=C2[C@](CC[C@@]3([C@@H]2C[C@@H]4C(C=O)=CC3(O4)O)C)(C)CC1)C
Compound: Gibellulic acid
SMILES: O=C(O)C1=C(/C(=C\CCC(C)C)/C)C=CC(=C1)O
Compound: Spiciferone C
SMILES: O=C1C2=C(OC(=C1CO)C)[C@](C(=O)C=C2)(CC)C
Compound: Ornithine-containing lipid
SMILES: O=C(O)C(NC(=O)CC(OC(=O)CCCCCCCCCCCC(C)C)CCCCCCCCCCCC(C)C)CCCN
Compound: Thelephantin M
SMILES: O=C(OC1=C(C(O)=C(OC(=O)C2=CC=CC=C2)C3=C1OC=4C=C(O)C(=CC34)O)C5=CC=C(O)C=C5)C6=CC=CC=C6
Compound: Pluraflavin B
SMILES: O=C1C2=C3OC(=CC(C3=C(COC4OC(C(O)C(C4)(N)C)C)C=C2C(=O)C=5C1=C(O)C(=CC5)[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H]([C@@H](O)[C@H](C7)O)C)[C@H](C6)N(C)C)C)=O)C(O)(C(O)C)C
Compound: 7-(3-butanonyl)-6,6-dimethyl-2-cyclohex-4-none-2-carboxylic acid
SMILES: O=C1C=C(C(=O)O)[C@H](CCC(=O)C)C(C1)(C)C
Compound: SF2738C
SMILES: S(C1=C(OC)C=C(C2=NC=CC=C2)N=C1CO)C
Compound: Chandrananimycin C
SMILES: O=C1C=2NC(CC(C2C3=NC=4C=CC=CC4OC3=C1)OC)C
Compound: Peptide P2
SMILES: SCC(NC(=O)CCCC(N)C(=O)O)C(=O)NC(C(=O)NCC(=O)O)C(C)C
Compound: Viscosinamide C
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCC)CC(C)C)CCC(=O)N)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]1CC(C)C)=O)CO)=O)CC(C)C)=O)CO)CC(C)C)C(C)C)C
Compound: (-)-delta-Araneosene
SMILES: C1(=CCCC(=CC[C@]2(C(CC1)=C(C(C)C)CC2)C)C)C
Compound: Alteramide A
SMILES: O=C1NCC[C@H](O)[C@@H]2NC(=O)C(C2=O)=C(O)C=CC=C[C@@H]([C@@H]3[C@@H](C=CC=C1)C[C@H]4C[C@@H]([C@@H]([C@@H]34)C)CC)O
Compound: Terretonin H
SMILES: O=C1C=C[C@]2([C@H]3[C@]([C@@H]4C(=O)O[C@@](C(=O)OC)(C)C([C@]4(C)C(C3)=C)=O)(C)[C@@H]([C@@H]([C@@H]2C1(C)C)OC(=O)C)O)C
Compound: Balticol B
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@H](C1)CO
Compound: [(1R,4S,5S,10R,11R,14S,15S)-5,10-dihydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-15-yl] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C(C(O)C(C(=O)/C(=C/C)/C)C)C)C=COC4)[C@@H]5[C@@H](O)C=CC=C5[C@H]2O)C
Compound: Viscosin
SMILES: O=C1OC([C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(O)CCCCCCC)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(C)C)C
Compound: Psoracorylifol A
SMILES: O1[C@@H]([C@](C=C)(CC[C@H]1C(=C)C)C)[C@@H](O)C2=CC=C(O)C=C2
Compound: (+)-chizhine A
SMILES: O=C1O[C@H](C=C(C)C)C[C@H]1CC(=O)C2=C(O)C=CC(=C2)O
Compound: SF2809-VI
SMILES: O=C1N(C2=C(C=CC=C2)C(=C1[C@H](C3=CC=CC=C3)C=4NC=5C=CC=CC5C4CCO)O)C
Compound: Cyclothialidine E
SMILES: S1CC2=C(C(=O)OC[C@@H](C(N[C@@H](C1)C(=O)N)=O)NC(=O)[C@H]3N(C(=O)[C@@H](N)CCC(=O)O)CC[C@H]3O)C(=C(O)C=C2O)C
Compound: Mumbaistatin
SMILES: O=C1C2=C(C(=C(O)C=C2C(=O)C=3C1=C(O)C=CC3)C(=O)O)C(=O)C4=C(O)C=CC=C4C(=O)CC[C@H](O)CC(=O)O
Compound: Noscomin
SMILES: O=C(O)C1=CC(=C(O)C=C1)C[C@]2([C@H]3C(=CC[C@H]2C)[C@]4([C@@H](C([C@H](O)CC4)(C)C)CC3)C)C
Compound: Siolipin A
SMILES: O=C(OCCCCCCCCCCCCCCCC)[C@@H](NC(=O)CCCCCCCCCCCCCCC)CCCCN
Compound: Alanditrypinone
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](CC=8C9=C(C=CC=C9)NC8)C7=O)=O)C
Compound: 2beta,13-Dihydroxyledol
SMILES: O[C@@]1([C@H]2[C@H]([C@@H](C)C[C@@H]2O)[C@H]3[C@@](CO)(C)[C@H]3CC1)C
Compound: Pandangolide 4
SMILES: S(C1C(=O)C(O)CCCCCC(OC(C1)=O)C)C2C(=O)C(O)CCCCCC(OC(C2)=O)C
Compound: Altersolanol F
SMILES: O=C1C2=C(OC)C=C(O)C=C2C(=O)C3=C1[C@H](O)[C@@H](O)[C@]([C@H]3O)(O)C
Compound: Dinemasone B
SMILES: O=C1O[C@@H](C[C@H]2[C@@H]1[C@@H](O)[C@H](O)[C@](/C=C/C)(C)O2)C
Compound: Dimethylmenaquinone DMMK-8
SMILES: O=C1C2=C(C(=O)C(=C1C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)C)C(=C(C)C=C2)C
Compound: Penialidin A
SMILES: O=C1C2=C(OC3=C1CO[C@](C3)(O)C)C(=C(O)C(=C2)O)C(=O)O
Compound: Arizonin A1
SMILES: O=C1C2=C(OC)C(O)=CC=C2C(=O)C3=C1C(OC4C3OC(=O)C4)C
Compound: 2,3-dihydro-3S-hydroxy-6,7-dimethoxy-2,2-dimethyl-4H-1-benzopyran-4-one
SMILES: O=C1C2=C(OC([C@@H]1O)(C)C)C=C(OC)C(=C2)OC
Compound: Xyloketal J
SMILES: O1C2=C3C(O[C@]4(OC[C@@H]([C@H]4C3)C)C)=C(CC5=CC6=C(OC(C6)C(=C)C)C=C5)C(=C2C[C@H]7[C@@]1(OC[C@@H]7C)C)O
Compound: Abybetaomicin J
SMILES: S([C@@H]1[C@H]2O[C@@]34C5=C(O)[C@H](C)C[C@@H](C([C@H]4CC1[C@]3(OC5=O)C[C@H]2C)=O)C)[C@H]6[C@@H]7C(=O)[C@H](C[C@@H](C)C(=C8[C@@]79O[C@@H]%10[C@H](C6[C@]9(OC8=O)C[C@H]%10C)O)O)C
Compound: 1''-acetylaporpinone B
SMILES: O=C1O/C(=C(\C#C[C@H]2OC2)/COC(=O)C)/C=C1
Compound: Sch 601254
SMILES: O=C1C=C(CC[C@H]2[C@H]([C@@]3([C@@H]1O)OC3)CC2(C)C)C
Compound: Karnamicin B1
SMILES: S1C(=NC(=C1)C2=NC(=C(O)C(=C2OC)OC)C(=O)N)CCCC(=O)C
Compound: Diplobifuranylone D
SMILES: O=C1OC([C@H]2O[C@H](C(O)C)C=C2)C=C1
Compound: 15G256alpha-2
SMILES: O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O)C)C)C)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](O)CO)C
Compound: Pladienolide G
SMILES: O=C1OC(/C(=C/C=C/C(CC2OC2C(O)(C(O)CC)C)C)/C)C(C=CC(O)C(CCC(C1)O)(O)C)C
Compound: JBIR-78
SMILES: O=C(O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC1=CC=CC=C1)C(C)C)CC(=O)O)C)[C@@H](O)C(C)C)C)CC2=CC=CC=C2
Compound: Blennolide B
SMILES: O=C1C2=C(O)C3=C(C=CC=C3O)O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)C
Compound: Minioluteumide B
SMILES: O=C1OCC2=C1[C@H](O)C[C@@H]3[C@@]2([C@@H](OC(=O)[C@@H](NC(=O)C)C(C)C)CCC3(C)C)C
Compound: Citreohybridone F
SMILES: O=C1C(=C(OC(=O)C)[C@@]2([C@]1(C(=CC3[C@@]4(C(=O)OC)C(C([C@@H](OC(=O)C)CC4)(C)C)CC[C@]23C)C)C)C(=O)OC)C
Compound: Sch 382583
SMILES: O=C(NC(C(=O)CC)C(C)C)[C@@H]1N(NCCC1)C(=O)[C@H](CC(=O)O)CCC(C)C
Compound: Dothiorelone I
SMILES: O=C(OCC)CC1=C(C(O)=CC(=C1)O)C(=O)CCCCCC(=O)C
Compound: 9-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methylsulanyloxolan-2-yl]methyl]-1H-purin-6-one
SMILES: S([C@H]1O[C@H](CN2C=3N=CNC(C3N=C2)=O)[C@H]([C@H]1O)O)C
Compound: Halawanone A
SMILES: O=C1C2=C(O)C3=C([C@H]4OC(=O)C[C@H]4O[C@@H]3CC)C=C2C(=O)C=C1[C@@H]5O[C@@H](C(=O)[C@@H](C5)O)C
Compound: Bioxalomycin beta1
SMILES: O=C1C(OC)=C(C(=O)C2=C1C3N4C([C@@H]5C[C@@H]6C7N(C2C4C6N5)CCO7)OC3)C
Compound: Piscibactin
SMILES: S1C(=N[C@](C1)(C(=O)O)C)C[C@H](O)[C@H]2N[C@@H]([C@@H]3N=C(C4=C(O)C=CC=C4)SC3)SC2
Compound: 1,3-Diphenylethylurea
SMILES: O=C(NCCC1=CC=CC=C1)NCCC2=CC=CC=C2
Compound: Cystomanamide D
SMILES: O=C(O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C[C@H](NC[C@]1(OC[C@@H](O)[C@H]([C@@H]1O)O)O)CCCCCC(C)C)CC(=O)N)[C@@H](O)C(=O)N)CC2=CC=CC=C2
Compound: Resveratrodehyde B
SMILES: O=CC1=C(O)C=C(O)C=C1/C=C/C2=CC(=C(O)C=C2)C=O
Compound: 6'-hydroxygriseofulvin
SMILES: ClC1=C(OC)C=C(OC)C2=C1O[C@@]3(C(OC)=CC(=O)CC3(O)C)C2=O
Compound: F-11334-B2
SMILES: O(C(/C=C/C1=C(O)C=CC(=C1)O)(C)C)C
Compound: 2,5-Dihydroxy-4-hydroxymethyl-acetanilide
SMILES: O=C(NC1=C(O)C=C(CO)C(=C1)O)C
Compound: Epicoccin E
SMILES: S1[C@]23N(C(=O)[C@]45S[C@H]6CC([C@H]([C@@H](N4C2=O)[C@@H]6O)C5)=O)[C@@H]7[C@H](C3)C([C@H]1[C@@H](O)[C@H]7O)=O
Compound: Precolibactin C
SMILES: S1C(=NC(=C1)C(=O)O)C=2N=C(CN3C(=O)C=C4C5(CC5)NC(C4=C3CC[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCC)CC(=O)N)C)=O)SC2
Compound: 5-(3'-methyl-2'-butenyl)-2-hydroxy-3-methoxy-4-methylbenzoic acid
SMILES: O=C(O)C1=C(O)C(OC)=C(C)C(=C1)CC=C(C)C
Compound: 3''-Demethylchartreusin
SMILES: O=C1OC2=C3C(C(=O)OC4=C3C1=C(O)C=5C4=C(OC6OC(C(O)C(C6OC7OC(C(O)C(C7O)O)C)O)C)C=CC5)=C(C)C=C2
Compound: EI-1507-1
SMILES: O=C1C2=C(C(OC)=CC=C2)C(O)C34C1(O3)C=5C(=O)CC(O)(C)CC5C=C4
Compound: Gibepyrone C
SMILES: O=C1OC(/C(=C/C=O)/C)=CC=C1C
Compound: 14,20-Dideoxy-thaxtomin A
SMILES: O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)C(CC4=CC=CC=C4)N(C3=O)C)C)=CC=C1
Compound: Pisolactone
SMILES: O=C1O[C@H]([C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)CC3)(C)CC2)C)C)C[C@@H]1C(C)C
Compound: 4,5-dihydroxy-3-(2-hydroxyethyl)-1-methoxy-8-methoxycarbonyl xanthone
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC=C3O)C(O)=C(CCO)C=C2OC
Compound: 10alpha,15-dihydroxyamorph-4-en-3-one
SMILES: O=C1C(=C[C@H]2[C@@H](C(C)C)CC[C@]([C@H]2C1)(O)C)CO
Compound: Kipukasin J
SMILES: O=C1N(C=CC(N1C)=O)[C@@H]2O[C@H](CO)[C@H]([C@H]2OC(=O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Compound: Phomalactone deriv. II
SMILES: O=C1O[C@@H](/C=C/C(=O)O)[C@@H](OC(=O)/C=C/C(=C/C(CCCCCC)C)/C)C=C1
Compound: Papyracon B
SMILES: O=C1/C(=C/[C@@H](O)C)/C[C@H](O)[C@@]23[C@@]1(OC(C)(C)[C@@H]2C3)O
Compound: 6-O-(6-O-pentadecanoyl-alpha-D-glucopyranosyl)-1-O-pentadecanoyl-alpha-D-glucopyranose
SMILES: O=C(O[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)COC(=O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
Compound: 4′-epi-N-2-hydroxyethyl-azachaetoviridin A
SMILES: ClC1=C2C(C3=C(C(=O)[C@@H]([C@H](O)C)C)C(O[C@@]3(C1=O)C)=O)=CN(CCO)C(=C2)/C=C/[C@H](CC)C
Compound: Cladosporol B
SMILES: O=C1C2=C(C(=CC=C2O)[C@@H]3C4=C(C(O)=CC=C4)C(=O)CC3)C(=O)[C@H]5[C@@H]1O5
Compound: Deflectin 2b
SMILES: O=C1C=C2C(=COC(=C2)C)C=3[C@]1(OC(=O)C3C(=O)[C@H](CCCCCCCCCC)C)C
Compound: Chondrosterin G
SMILES: OC(C#CC#CC#CC)C(O)CO
Compound: Chloropupukeanolide B
SMILES: Cl[C@]12[C@]34OO[C@H]5[C@]6(O[C@H]6[C@H](C=C5C3=C[C@]1(C[C@]([C@@]47OC(=O)C=8C(O)=CC(=CC8O7)C)(C(=O)OC)C[C@H]2O)C)O)CC=C(C)C
Compound: A-500359 E
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@H](O[C@@H]3OC(C(=O)OC)=C[C@H]([C@@H]3O)O)C(=O)N)[C@H]([C@H]2O)OC
Compound: Herqueiazole
SMILES: O=C1C2=C3C(C(=CC(=C3C4=C1NC(C)=C4)O)C)=C5O[C@H](C([C@]5(C2=O)O)(C)C)C
Compound: [(3S,4S)-5-[(3S)-7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
SMILES: O=C(O[C@H]1C2=C(C=3C=4C(C(O)=C5C3C[C@H](C)OC5)=C(OC)C=C(C4)O[C@@H]6O[C@@H]([C@@H](OC)[C@@H]([C@H]6O)O)CO)C=7C(=C(OC)C=C(C7)OC)C(=C2CO[C@H]1C)O)C
Compound: 7-Deoxy-7,8-didehydrosydonic acid
SMILES: O=C(O)C1=CC(O)=C(/C(=C\CCC(C)C)/C)C=C1
Compound: Atlantinone A
SMILES: O=C1O[C@@H]2C(C)(C)[C@@H]3[C@]1([C@@H]4C=C([C@]5(C(O)=C(C([C@]5([C@]4(CC3)C)C(=O)OC)=O)C)C)C)CC2
Compound: Multiforisin C
SMILES: O=C1OC2=C([C@@H](O[C@H](C2)C)OC)C(=C1COC(=O)C)OC
Compound: 2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H](CC(=O)O)[C@H]([C@H]2O)O
Compound: Trichodenone A
SMILES: O=C1C=C[C@@](C1)(O)C=C
Compound: Neocyclocitrinol D
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CCC3/C(=C/[C@H](O)[C@H](O)C)/C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: (6bS,7R)-4,9-dihydroxy-7-methoxy-1,2,6b,7-tetrahydrobenz[j]fluoranthen-3,8-dione
SMILES: O=C1C2=C(O)C=CC=C2C3=C4CCC(C=5C4=C([C@@H]3[C@H]1OC)C=CC5O)=O
Compound: Trichurusin B
SMILES: O=C1OC(C(OC(=O)/C=C/C(=C/C(CO)CCO)/C)CC1)C(CC(C/C(=C/C)/C)C)C
Compound: Oxysporidinone
SMILES: O=C1N(C=C(C2(O)C(O)CC(=O)CC2)C(=C1C3OC(C(=CC(CC(CC)C)C)C)C(C)CC3)O)C
Compound: Fomitopsin B
SMILES: O=C1O[C@]2(O[C@H]3[C@]4([C@](C=5CC[C@@H]6[C@@](C5C3)(CC[C@H](C6(C)C)OC(=O)CC(=O)O)C)(CC[C@@H]4[C@@H](C2)C)C)C)C(=C1C)C
Compound: Actagardine B
SMILES: S1(=O)[C@H]([C@@H]2NC(=O)CNC(=O)[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C(CC)C)NC([C@@H]([C@@H](SC[C@@H](C(N[C@H](C(NC(C1)C(=O)O)=O)C)=O)NC([C@@H](NC([C@@H](NC2=O)CC(C)C)=O)C(C)C)=O)C)NC(=O)C(NC([C@H]([C@@H](SC3)C)NC(=O)[C@H]4NC(=O)[C@@H](NC(=O)C(NC(=O)CNC([C@@H](NC([C@@H](CSC4)N)=O)CO)=O)CC=5C6=C(C=CC=C6)NC5)C(C)C)=O)CC(C)C)=O)CCC(=O)O)C
Compound: Cephalimysin A
SMILES: O=C1N[C@](OC)(C(=O)C2=CC=CC=C2)[C@@H]([C@@]13OC(CC/C=C/CC)=C(C3=O)C)O
Compound: Botcinolide
SMILES: O=C1O[C@H]([C@H](OC(=O)/C=C/C(O)CCCC)[C@@H](C)[C@@H]([C@]([C@H]([C@H]1C)O)(O)C)O)C
Compound: Ansacarbamitocin A
SMILES: ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)[C@H]5O[C@H]([C@H](OC(=O)N)[C@H]([C@@H]5O)OC)COC(=O)C)=O)OC(=O)NC)(O4)C)C)C3)=O)C
Compound: (24S,25R)-24,25-dihydroxy-3,7-dioxo-5alpha-lanost-8-en-26-ol
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)(CO)C)C)C)C
Compound: Carbamidocyclophane F
SMILES: ClC(Cl)CCC[C@@H]1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCC[C@H](CCCC(Cl)Cl)C3=C(C=C([C@@H]([C@H](CCCC1)C)O)C=C3O)O)C)C=C2O
Compound: Thielavin B methyl ester
SMILES: O=C(OC1=C(C(OC)=C(C(=O)OC)C(=C1C)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C)C
Compound: (2S,3R,4E,6R)-4-hydroxyimino-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione
SMILES: O=C1NC(=O)C2=C1C3=C4N([C@]5(O[C@@H](N6C4=C2C7=C6C=CC=C7)C\C(\[C@H]5OC)=N/O)C)C8=C3C=CC=C8
Compound: 3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one
SMILES: ClC1=C([N+](=O)[O-])C(C2=C(Cl)C(=O)N[C@H]2OC)=CC=C1
Compound: Bezerramycin C
SMILES: O=C1C(NC(=O)C)=C(C#N)C2=NC=3C=C(CO)C=CC3OC2=C1
Compound: IT-62-B
SMILES: O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)C)C[C@@H]3OC4O[C@H]([C@H]5OC(OC(C6N([C@H]5C4)C(=O)C(C(CO)C)O6)C)CC(O)C)C)C(=C2C(=O)C=7C1=C(OC)C=CC7)O
Compound: Thiazomycin E2
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C=4SC=C(C5=C(C6=NC(C(N[C@H](C(NC2=C(OC)C)=O)[C@H](O)C)=O)=CS6)C=C(O)C(=N5)C=7SC=C(N7)C(=O)NC(C(=O)N)=C)N4)CO)[C@H](O)[C@H](O)C(=O)O
Compound: Formamicin
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@H]2[C@@H]([C@](C=C(C=C1)C)(OCO[C@H]2CCCCC)C)O)C)[C@H]([C@@H](O)[C@@H]([C@@]3(O[C@@H]([C@@H](C)[C@@H](C3)O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)O)C)C)O)C)C
Compound: 13-Methyltetradec-8-en-2-one
SMILES: O=C(CCCCC/C=C\CCCC(C)C)C
Compound: Dioschrin
SMILES: S(C1=C(C=2C(=O)C3=C(C=C(C)C=C3O)OC2C=C1O)C(=O)OC)C4=C(C(=C(OC)C=C4O)C(=O)C5=C(O)C=C(C)C=C5O)C(=O)OC
Compound: Sterin B
SMILES: O=CC1=CC(=C(O)C=C1)/C=C/C(O)(C)C
Compound: Decarboxydihydrocitrinone
SMILES: O=C1O[C@@H]([C@@H](C)C=2C1=C(O)C=C(O)C2C)C
Compound: 2-Demethylsteffimycin D
SMILES: O=C1C2=C(O)C3=C(CC(O)(C)C(C3OC4OC(C(O)C(C4OC)O)C)OC)C=C2C(=O)C=5C1=C(O)C=C(O)C5
Compound: 24(E)-3beta-hydroxylanosta-8,24-dien-26-al-21-oic acid
SMILES: O=C(O)[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)CC1)C)CC/C=C(/C=O)\C
Compound: 7-Chlorocanarione
SMILES: ClC1=C(O)C(=O)C=2C=C3OC(C)=CC(C3=C(C2C1=O)O)=O
Compound: 15b-beta-methoxy-5-N-acetylardeemin
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@]4(OC)N([C@H]5N(C=6C=CC=CC6[C@]5(C4)C(C=C)(C)C)C(=O)C)C([C@@H]2C)=O
Compound: Nocapyrone O
SMILES: O=C1C(=C(OC(=C1C)[C@H](O)CCCC(C)C)OC)C
Compound: Asperterpenol B
SMILES: O[C@H]1[C@@]2([C@H]([C@H]3[C@](CCC(C3)(C)C)(C)CC2)CCC(=C4[C@@H]1[C@H]([C@H](O)C4)C)C)C
Compound: Julichrome Q5.6
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C(C4=C(O)C5=C(O)C6=C([C@H]([C@](O)(C)CC6=O)C(OC(=O)C)C)C=C5C=C4)=CC3)C(=C(C)C=C2O)C(=O)C
Compound: Aogacillin A
SMILES: O=C1O[C@@]2(C(=C)C([C@@]1(O)C)=O)C(CCCC2C)CC
Compound: 4-(5-oxotetrahydrofuran-3-yl)benzaldehyde
SMILES: O=C1OC[C@H](C1)C2=CC=C(C=O)C=C2
Compound: POH 2
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)C(C)C)[C@H](O)C)[C@@H](O)C)[C@H](O)C)[C@@H](O)C)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CC(=O)N)CCCC)CCCCN)CCC1
Compound: Dehydrobotrydienol
SMILES: OCC1=C(C=CC2=C1[C@](CC2(C)C)(CO)C)C
Compound: Peniphenone B
SMILES: O=C1OC(C2=CC(O)=C(O)C=C2)=CC(=C1CC3=C(O)C(C(=O)C)=CC(=C3O)C)O
Compound: Cyclipostin T
SMILES: P1(=O)(OC(=C2C(=O)OC[C@@H]2CO1)CCC)OCCCCCCCCCCCCCCCC
Compound: 16alpha,26-dihydroxylanosta-8,24-dien-3-one
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CCC=C(CO)C)C)[C@@H](C4)O)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Psoracorylifol E
SMILES: O1[C@@H](C2=CC=C(O)C=C2)[C@@H]3[C@@](C=C)(C)CC[C@H]1C3(C)C
Compound: Ascolactone A
SMILES: O=C1O[C@](C(=O)[C@@H](CC)C)(C)C=2C1=C(O)C(=C(O)C2)C(=O)O
Compound: Reveromycin C
SMILES: O=C(O)/C=C(/C=C/[C@@H]1O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/[C@H](O)[C@H](/C=C/C(=O)O)C)\C)CC[C@]1(OC(=O)CCC(=O)O)CCC(C)C)\C
Compound: (+)-(10E,15R)-10,11-dehydrocurvularin
SMILES: O=C1C2=C(O)C=C(O)C=C2CC(=O)O[C@H](C)CCCC=C1
Compound: Cryptosporioptide A
SMILES: O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)[C@@H]7O[C@]7(C)[C@@H]([C@]6(C)OC5C=C4)OC(=O)CC(=O)O)=CC=C3O[C@]2([C@@H](OC(=O)CC(=O)O)[C@@]8([C@H]1O8)C)C
Compound: Aurilide C
SMILES: O=C1O[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N(CC(=O)N[C@H](C(N([C@H](C(O[C@@H]([C@H]([C@H](CC=C1C)O)C)/C(=C/CC)/C)=O)C)C)=O)C(C)C)C)[C@@H](CC)C)C)C(C)C)C(C)C
Compound: Sculezonone B
SMILES: O=C1C2=C(O)C(OC)=C(O)C=3C2=C(C(O)=C(O)C3C)C([C@@]1(O)C(C(=O)C)(C)C)=O
Compound: Penarine B
SMILES: O=C(O)[C@@]1(C[C@@]23[C@@H](C=C([C@H]2C1)CO)CC[C@H]3C)C
Compound: Heronamide F
SMILES: O=C1N[C@@H](CC=CC=C(C=CC=C[C@H]([C@H](C=C(C=CC=C1)C)O)O)C)C/C=C/C=C/C
Compound: N-propionyl-desacetyl-mycothiol-bimane
SMILES: S(CC=1N2N(C(=O)C(=C2C)C)C(C1C)=O)C[C@H](NC(=O)CC)C(=O)NC3C(OC(CO)C(C3O)O)OC4C(O)C(O)C(O)C(C4O)O
Compound: Hypomurocin A-4
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)CC(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CCC(=O)N)C(CC)C)C(C)C)(C)C
Compound: A-503083 E
SMILES: O=C1N(C=CC(N1)=O)C2OC(C(OC3OC(C(=O)OC)=CC(C3O)O)C(=O)N)C(C2OC(=O)N)OC
Compound: 3'-O-L-quinovosyl saphenate
SMILES: O=C(O[C@H]1[C@H](O)[C@@H](O[C@H]([C@@H]1O)C)O)C=2C3=NC=4C(=C(C=CC4)C(O)C)N=C3C=CC2
Compound: Polyoxypeptin B
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@@](O)([C@@]2(O[C@@H]([C@@H](C[C@H](CC)C)CC2)CC)O)C)C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@H](C)C(N4[C@@H](C(N5[C@H](C(N([C@H]1C(C)C)O)=O)[C@](O)(CC5)C)=O)CCCN4)=O)C(C)C
Compound: Polylisin C
SMILES: O=C1C=CC2=C[C@]3(OCC([C@]3(C[C@]2([C@]1(O)C)C)O)=C)OC
Compound: Microviridin D
SMILES: S(CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C)CC2=CC=C(O)C=C2)CC(=O)N)[C@H](OC(=O)C[C@@H]3NC(=O)[C@H](CO)NC([C@H]4N(C([C@@H](NC([C@@H](NC1=O)CCCCNC(=O)CC[C@H](NC(=O)[C@H](NC([C@@H](NC3=O)CC=5C6=C(C=CC=C6)NC5)=O)CCC(=O)OC)C(=O)N[C@H](C(=O)O)CC7=CC=C(O)C=C7)=O)CC8=CC=C(O)C=C8)=O)CCC4)=O)C)C
Compound: 4-chloroaniline
SMILES: Nc1ccc(Cl)cc1
Compound: Fumiquinazoline Q
SMILES: O=C1N2C(=NC3=C1C=CC=C3)CNC([C@@H]2C[C@@]4(O)C5=C(C=CC=C5)N6[C@@H]4N[C@@H](C)C6=O)=O
Compound: Lanosta-7,9(11)-dien-3beta-acetyloxy-24,25,26-trihydroxy
SMILES: O=C(O[C@@H]1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CCC(O)C(O)(CO)C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C)C
Compound: Saccharosacrin F
SMILES: O=C1OC23C(C=C(C(OC4OC(C(NC(=O)C)C(C4)(O)C)C)C(C)C=C(C5C(C(=C1C2=O)O)(C6C(C(OC7OC(C(OC8OC(C(OC9OC(C(O)C(C9)O)C)C(C8)OC%10OC(C(O)CC%10)C)C)CC7)C)C(C)CC6C)C=C5)C)C)C)C=CC(C3)CCC
Compound: Phenatic acid A
SMILES: O=C(O)C[C@H](CC(=O)N)CC(=O)C1=C(O)C(=CC(=C1)C)C
Compound: 1-Methoxy-dec-2-ene-4,6,8-triyne
SMILES: O(C/C=C/C#CC#CC#CC)C
Compound: TAN-868 A
SMILES: O=C(NC=CC(=N)N)C=1NC=C(C1)NC(=O)[C@H]2N=C(N)[C@@H](C2)O
Compound: Quanolirone I
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C=3C1=CC4=C(O)C=C(C=C4C3O)C)C5OC(C(O)C(C5)OC6OC(C(OC7OC(C(O)C(C7)O)C)CC6)C)C
Compound: Castochrin
SMILES: S(C1=C(C=2C(=O)C3=C(C=C(C)C=C3O)OC2C=C1O)C(=O)OC)C4=C(C=5C(=O)C6=C(C=C(C)C=C6O)OC5C=C4O)C(=O)OC
Compound: 2-acetyl-1,8-dihydroxy-3-methylanthraquinone
SMILES: O=C1C2=C(O)C(=C(C)C=C2C(=O)C=3C1=C(O)C=CC3)C(=O)C
Compound: 14-Methylpentadec-10-en-2-one
SMILES: O=C(CCCCCCC/C=C\CCC(C)C)C
Compound: 4-Hydroxy-3-nitrobenzoic acid
SMILES: O=[N+]([O-])C1=C(O)C=CC(=C1)C(=O)O
Compound: 7-hydroxy-4H-1,4-benzothiazin-3-one
SMILES: S1C2=C(NC(C1)=O)C=CC(=C2)O
Compound: Ganoapplanatumine B
SMILES: O1C2=C(C=3N=CC4=C(C3C1OC)CCC4O)C=C(O)C=C2
Compound: Cytospolide A
SMILES: O=C1O[C@@H]([C@@H](O)CCC=C[C@H]([C@H]1C)OC(=O)C)CCCCC
Compound: Diolmycin A1
SMILES: OC1=CC=C(C[C@@H](O)[C@@H](O)CC=2C3=C(C=CC=C3)NC2)C=C1
Compound: Methyl 11-metyloctadec-11-enoate
SMILES: O=C(OC)CCCCCCCCCC(=CCCCCCC)C
Compound: (32R,33R,34S)-bacteriohopanetetrol
SMILES: O[C@@H]([C@@H](O)CO)[C@H](O)CC[C@H]([C@@H]1[C@@H]2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5([C@H](C(CCC5)(C)C)CC4)C)CC3)C)(C)CC2)(C)CC1)C
Compound: Acetylgliotoxin G
SMILES: S1SS[C@]23N([C@@H]4[C@@H](OC(=O)C)C=CC=C4C2)C([C@@](S1)(N(C)C3=O)CO)=O
Compound: Alternariol 4-methyl-10-acetyl ether
SMILES: O=C1OC2=C(C(=CC(=C2)OC(=O)C)C)C=3C1=C(O)C=C(OC)C3
Compound: Cyanogramide
SMILES: O=C1N(/C=C/C2=CC=CC=C2)[C@@](OC)(C)N3C1=C[C@@]4(C(=O)N(C)C5=C4C=CC=C5)C3=O
Compound: A-53930A
SMILES: O=C1NCC(O)C2C1N=C(NC3O[C@@H]([C@H](O)[C@H]([C@H]3NC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCN)O)COC(=O)N)N2
Compound: 5-Acetoxyoxachamigrene
SMILES: Br[C@H]1[C@](Cl)(C[C@@H](OC(=O)C)[C@]2(C1)C3(OC(C2(C)C)CC3)C)C
Compound: Nostocyclyne A
SMILES: OC1=C2C(O)=CC(=C1)C#CCCCCCCCCCCC[C@@H]2CCC
Compound: TMC-154
SMILES: O=C(OC[C@@H](O)[C@H](O)[C@H](O)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](OC)[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: Microcolin B
SMILES: O=C1N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](C[C@@H](CCCC)C)C)C)CC(C)C)C(OC(=O)C)C)C)C(C)C)CCC2)[C@@H](C)C=C1
Compound: Phellinene acid A
SMILES: O=C(O)CC(CC[C@@H]1C(=C)CC[C@@H](C1(C)C)O)C
Compound: Scytalol A
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)C3C1CO[C@@](C3)(O)C
Compound: Korormicin I
SMILES: ClC(C(O)C/C=C/C=C\[C@H](O)CC(=O)NC=1C(=O)O[C@](C1)(CC)C)CCCCCCCC
Compound: Austinoneol
SMILES: O=C1OC([C@]2(C(=C3[C@@]([C@@]4(C(=C)[C@](C3)([C@H](O)C4=O)C)C(=O)OC)(C)CC2)C)C=C1)(C)C
Compound: (2S,10R,3'S,4'S,6'S)-4'-deacetyl-griseusin B methyl ester
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1[C@@]4(O[C@H](C3)CC(=O)OC)O[C@H](C[C@@H]([C@@H]4O)O)C
Compound: Paeciloquinone F
SMILES: O=C1C2=C(O)C3=C(O[C@]4(C)O[C@@]3(C(=O)O)CC4)C=C2C(=O)C=5C1=C(O)C=C(O)C5
Compound: (2R,3E)-N-{(1S,2R,3E,7E)-1-[(beta-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methylhexadeca-3,7-dien-1-yl}-2-hydroxyheneicos-3-enamide
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCC)\C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)/C=C/CCCCCCCCCCCCCCCCC
Compound: [(6S,7S,9E,12R)-12-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] (2E,4E,6E,8E,11R)-11-hydroxy-4,6,8-trimethyl-13-oxopentadeca-2,4,6,8-tetraenoate
SMILES: O=C1O[C@@H]([C@H](C/C(=C/[C@H]([C@H](O)C[C@H](O)C)C)/C)C)CC=C(C[C@@H]([C@H](CCC1)OC(=O)/C=C/C(=C/C(=C/C(=C/C[C@@H](O)CC(=O)CC)/C)/C)/C)C)C
Compound: Tetracenoquinocin
SMILES: O=C1C2=C(O)C3=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4OC)O)C)C=C(C)C=C3C=C2C(=O)C=5C1=C(O)C=CC5
Compound: E-837
SMILES: O=C1C(=C(CC(O)CC/C(=C/C=C/C(C(O)/C(=C/C)/C)C)/C)OC1(O)C)C
Compound: Deferrihydroxyneocoprogen I
SMILES: O=C1NC(C(=O)NC1CCCN(O)C(=O)/C=C(/C(O)CO)\C)CCCN(O)C(=O)/C=C(/CCOC(=O)C(NC(=O)C)CCCN(O)C(=O)C)\C
Compound: Pamamycin-635F
SMILES: O=C1O[C@H](C[C@H]2O[C@@H]([C@@H](C(=O)O[C@H]([C@@H]([C@H]3O[C@@H]([C@H]1CC)CC3)C)[C@@H]([C@@H]4O[C@H](C[C@H](N(C)C)CCC)CC4)CC)C)CC2)CCC
Compound: Albatrelin F
SMILES: O=C1C(=CC(=O)C2(C1(OC=3C4=C(O[C@@](CC/C=C(/CCC=C(C)C)\C)(C)C=C4)C(=C(C23)C)O)O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C
Compound: 3-O-2'-methylbutyl-4a,10a-dihydrofusarubin A
SMILES: O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)[C@H]3[C@H]1CO[C@](C3)(OC[C@H](CC)C)C
Compound: 7-Hydroxy-8,20-dimethyl-9-docosenoic acid
SMILES: O=C(O)CCCCCC(O)C(/C=C\CCCCCCCCCC(CC)C)C
Compound: (20S,22S,23E)-22O-acetyl-25-hydroxylanosta-8,23(E)-dien-3-one
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H](OC(=O)C)/C=C/C(O)(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: [Leu-7]surfactin
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CC(C)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)O)CCCCCCCCC(C)C
Compound: [(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] propanoate
SMILES: O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14[C@](C=O)([C@H]5C[C@H]6C[C@H](OC(=O)CC)C[C@@H](N6C[C@@]5(C4)NC)C)C
Compound: Cystothiazole B
SMILES: S1C(=NC(=C1)/C=C/[C@H](OC)[C@H](/C(/OC)=C\C(=O)OC)C)C=2N=C(C(O)(C)C)SC2
Compound: Botryslactone
SMILES: O=C1O[C@H](C2=C(C=CC3=C2[C@](CC3(C)C)(CO)C)C)C[C@H]1O
Compound: Berkazaphilone B
SMILES: O=C1C=C2C=C(OC[C@@H]2[C@H]([C@]1(OC(=O)C3=C(O)C=C(O)C=C3C)C)O)/C=C/C
Compound: Phellinene acid B
SMILES: O=C(O)CC(CC[C@@H]1C(=C)C[C@@H](O)CC1(C)C)C
Compound: Cochlioquinone B
SMILES: O=C1C=2O[C@]3(C([C@@]4([C@H](O[C@@H](C(O)(C)C)CC4)CC3)C)CC2C(=O)C=C1[C@@H](C(=O)[C@H](CC)C)C)C
Compound: Chlorocatechelin A
SMILES: ClC1=C(O)C(O)=C(C(=O)NC(=NCCC[C@@H](NC(=O)C2=C(O)C(O)=C(Cl)C=C2)C(=O)N[C@@H](C(=O)O)CCCN(O)C=O)N)C=C1
Compound: LL-S490beta
SMILES: O=C1N2[C@H]3N(OC(=O)C)C=4C=CC=CC4[C@@]3(C(C=C)(C)C)C[C@@H]2C(=O)NC5=C1C=CC=C5
Compound: Bromomethylchlamydosporol A
SMILES: Br[C@]1(C=2OC(=O)C=C(C2CO[C@]1(OC)C)OC)C
Compound: Aspergillumarin B
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=CC2)CCC[C@@H](O)C
Compound: Muraymycin C1
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@@H](O[C@@H]3O[C@H](CN)[C@H]([C@H]3OC)O)[C@H](NCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@H]4NC(=NCC4)N)[C@@H](O)C(C)C)C(=O)O)[C@H]([C@H]2O)O
Compound: 4-(1'-hydroxy-2'-butenyl)-l,4-dihydro-2,3-benzodioxocin-10-ol
SMILES: O1OCC2=C(O)C=CC=C2C=CC1C(O)/C=C/C
Compound: 1-hydroxy-1-[tetrahydro-4-hydroxy-2-(hydroxymethyl)-5-oxofuran-2-yl]propan-2-yl 2,4-dihydroxy-6-methylbenzoate
SMILES: O=C1OC(C(O)C(OC(=O)C2=C(O)C=C(O)C=C2C)C)(CO)CC1O
Compound: Cytosporin H
SMILES: O=C(OCC1=C(C=CCCC(O)CC)[C@@H](O)[C@H]2[C@@]3([C@H]1OC([C@@H](O)C3)(C)C)O2)C
Compound: SB203105
SMILES: O=C1N([C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)NC=5C4=C(O)C=C6OC(C)(C)C=COC56)C[C@]17N(CC[C@@H]7C)C3)C
Compound: 3-Methylhydantoin
SMILES: O=C1N(C(=O)CN1)C
Compound: Clavariopsin B
SMILES: O=C1O[C@@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(N([C@H](C(NCC(N([C@H](C(N[C@H]1CC3=CC=C(OC)C=C3)=O)C(C)C)C)=O)=O)[C@H](CC)C)C)=O)[C@H](CC)C)C)CC(=O)O)C)C(C)C)C(C)C)CCCC2)C(C)C
Compound: Cadina-1,4-diene
SMILES: C12=CCC(C)=C[C@H]1[C@H](C(C)C)CC[C@@H]2C
Compound: Penicillithiophenol B
SMILES: S(C1=C(O)C=CC(=C1)CC(=O)OC)C2=C(O)C=CC(=C2)CC(=O)OC
Compound: Talaroenamine E
SMILES: O=C1C(=NCC2=C(OC)C=C(O)C=C2)C(=CC([C@]1(O)C)=O)C
Compound: 17-acetoxy-N-(O-methyl)septoriamycin A
SMILES: O=C1N(OC)C=C(C2=CC=CC=C2)C(=C1[C@@H]3O[C@@H]([C@@H](C)C[C@H]3C)[C@H](COC(=O)C)CC)O
Compound: Petrosifungin A
SMILES: O=C1N2[C@H](C(=O)N3[C@H](C(=O)N4[C@@H](CCCC4)C(O[C@@H]([C@@H](C(N[C@H]1C(C)C)=O)NC(=O)C5=CC=CC=C5)C)=O)CCCC3)CCC2
Compound: N-(2-Phenylethyl)-isobutyramide
SMILES: O=C(NCCC1=CC=CC=C1)C(C)C
Compound: (E)-3-(3-hydroxy-4-O-a-fucofuranosylphenyl)-2-methylacrylic acid
SMILES: O=C(O)/C(=C/C1=CC(O)=C(O[C@@H]2O[C@H]([C@@H](O)C)[C@H]([C@@H]2O)O)C=C1)/C
Compound: CB-182130
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCCCCC(CC)C)CC=2C3=C(C=CC=C3)NC2)CCC(=O)O)C(O)C(=O)O)C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CCCCN)C(N[C@H](C(NCC(N[C@@H](C(NC(C(N[C@H]1C(CC)C)=O)CCC(=O)O)=O)CC(=O)N)=O)=O)CC(=O)O)=O)CC(=O)O)C)C)C
Compound: Taveuniamide I
SMILES: ClC(Cl)=CC#CCCC[C@@H](NC(=O)C)CCCC#C/C=C/Cl
Compound: (R*R*)-2-(1-hydroxyethyl)-2-methyl-2,3-dihydro-1H-quinazolin-4-one
SMILES: O=C1N[C@](NC2=C1C=CC=C2)([C@@H](O)C)C
Compound: Naematolin B
SMILES: O=C1C(=C)[C@@H]2[C@@H]([C@](CO)(C)C2)[C@H](O)[C@@H](C(=C[C@H]1OC(=O)C)C)O
Compound: Amonabactin P 693
SMILES: O=C(NCCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)C1=C(O)C(O)=CC=C1)C(=O)N[C@H](C(=O)O)CC2=CC=CC=C2)C3=C(O)C(O)=CC=C3
Compound: 3-methoxy-5-hexylphenol
SMILES: O(C1=CC(O)=CC(=C1)CCCCCC)C
Compound: Palmarumycin B6
SMILES: ClC1=C2C(=C(O)C=C1)C(=O)CCC23OC=4C=5C(C=CC4)=CC=CC5O3
Compound: Ergost-7-en-3beta-ol
SMILES: O[C@@H]1CC2[C@]([C@@H]3C([C@H]4[C@]([C@@H]([C@@H](CC[C@@H](C(C)C)C)C)CC4)(C)CC3)=CC2)(C)CC1
Compound: Aspergiloid C
SMILES: O[C@H]1[C@@]2(C3=C(C(=C(C)C=C3)C=C)C[C@@H]([C@H]2C(C)(C)CC1)O)C
Compound: Ophiobolin A lactone
SMILES: O=C1O[C@H]2C[C@](O)(C)[C@@H]3[C@H]2C1=CC[C@H]4[C@]5(O[C@@H](C=C(C)C)C[C@@H]5C)CC[C@]4(C)C3
Compound: Ustusorane E
SMILES: O1C2=C(C(=CC=C2CC1C(O)(C)C)CC(O)C)CO
Compound: Hypsiziprenol-A8
SMILES: OC(C=C)(CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)\C)C
Compound: Cyanosporaside B
SMILES: ClC1=C2C(=CC(=C1)CC#N)[C@@]3(O[C@@H]4O[C@@H]([C@@](O)(C)C([C@H]4O)=O)C)[C@@H](O)C=CC3=C2
Compound: 4'-hydroxy-6,7-dimethoxyisoflavone
SMILES: O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=C(OC)C(=C3)OC
Compound: 4-chloroindole-3-acetic acid
SMILES: OC(=O)Cc1c[nH]c2cccc(Cl)c12
Compound: Neosarphenol B
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)/C=C/C(=C)C
Compound: 4,4a,5,6,7-hexahydro-3-hydroxy-6-(1',2'-dihydroxy-1'-methylethyl)-4-methyl-2(3H)-naphthalenone
SMILES: O=C1C=C2C(CC(C(O)(CO)C)CC2)C(C1O)C
Compound: Anabaenopeptin NZ857
SMILES: O=C1N(CC(=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@@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)CCC4=CC=C(O)C=C4)C
Compound: 5alpha,8alpha-epidioxy-24(R)-methylcholesta-6,22-dien-3beta-D-glucopyranoside
SMILES: O1O[C@]23C=C[C@@]14C(CC[C@]5(C4CC[C@@H]5[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@]2(CC[C@@H](C3)OC6OC(C(O)C(C6O)O)CO)C
Compound: 2-(3-methyl-2-buten-1-yl)-4-methoxyethyl-phenol
SMILES: O([C@H](C1=CC(=C(O)C=C1)CC=C(C)C)C)C
Compound: Gabosine I
SMILES: O=C1C=C([C@H](O)[C@H]([C@@H]1O)O)CO
Compound: 2-[(1R,3R)-1-butyl-10-hydroxy-7-(methylamino)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
SMILES: O=C1C(NC)=CC(=O)C2=C1C=C3C[C@H](CC(=O)O)O[C@@H](C3=C2O)CCCC
Compound: Punctaporonin K
SMILES: O=C(N[C@@H]1C(=C)CC[C@@]2(O)C(C)(C)C[C@@H]2C(=C[C@@H]1O)CO)/C=C(/CCO)\C
Compound: 4'-N-methyl-5'-hydroxystaurosporine
SMILES: O=C1NCC=2C1=C3C=4N(C5OC(N6C4C2C7=C6C=CC=C7)([C@@H](OC)[C@H]([C@@H]5O)N(C)C)C)C8=C3C=CC=C8
Compound: 4,4'-(ethane-1,2-diyl)bis(2,3,6-trimethoxyphenol)
SMILES: O(C1=C(OC)C(=CC(=C1O)OC)CCC2=C(OC)C(OC)=C(O)C(=C2)OC)C
Compound: 2,5-dihydroxy-3-isopropenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde
SMILES: O=CC1=C(O)C(=CC(=C1C#CC(=C)C)O)CC=C(C)C
Compound: Cinatrin B
SMILES: O=C1O[C@H](CCCCCCCCCC)C[C@@]12OC(=O)[C@@H]([C@]2(O)C(=O)O)O
Compound: 4-Bromo-9-(iodomethyl)-1,5,12-trimethyl-8-oxatricyclo dodeca-2,4,6-triene
SMILES: ICC12OC3=C(C=C(Br)C(=C3)C)C(C1C)(C)CC2
Compound: Hygrophorone B14
SMILES: O=C1C=C[C@H]([C@]1(O)C(O)CCCCCCCCCCCCCC)O
Compound: Clearanol B
SMILES: O=C1OC2=C(C(OC(C2=C)C)O)C(=C1)OC
Compound: Hydrazidomycin C
SMILES: O=C(N(NC(=O)COC)/C=C\CCCC/C=C\C/C=C\CCCCC)CCCCCCCCC
Compound: Arylomycin B2
SMILES: O=[N+]([O-])C1=C(O)C=2C3=C(O)C=CC(=C3)C(N(C(=O)CNC(=O)[C@H](NC(=O)[C@H](N(C(=O)CCCCCCCCC(C)C)C)CO)C)C)C(=O)N[C@H](C(NC(CC(=C1)C2)C(=O)O)=O)C
Compound: Ambiguine O isonitrile
SMILES: Cl[C@H]1[C@](C=C)([C@]2([N+]#[C-])[C@]3(O)C=4C=5C(=CC=CC5C([C@H]3C1)(C)C)NC4C(C([C@H]2O)=O)(C)C)C
Compound: Sterostrein I
SMILES: O=C1C(=C([C@@](O)(C)[C@@H]2[C@H]1CC(C)(C)C2)CCO)C
Compound: Shengjimycin B2alpha
SMILES: O=C1OC(CC=CC=CC(OC2OC(C(N(C)C)CC2)C)C(CC(C(C(C(C1)OC(=O)C)OC)OC3OC(C(OC4OC(C(OC(=O)CCC)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: Gabosine B
SMILES: O=C1[C@@H](O)[C@H](O)[C@H](O)C[C@H]1C
Compound: Botryoloic acid
SMILES: O=C(O)[C@@H]1[C@]2(O)[C@](CC([C@@H]2[C@@H](OC(=O)C)C[C@H]1C)(C)C)(CO)C
Compound: Z,Z)-4-oxo-2,5-hetpadienedioic acid
SMILES: O=C(O)/C=C\C(=O)/C=C\C(=O)O
Compound: 3-[(2R,3R,5S,6R)-6-[(2R)-butan-2-yl]-3,5-dimethyloxan-2-yl]-1,4-dihydroxy-5-phenylpyridin-2-one
SMILES: O=C1N(O)C=C(C2=CC=CC=C2)C(=C1[C@@H]3O[C@@H]([C@@H](C)C[C@H]3C)[C@@H](CC)C)O
Compound: Thomitrem E
SMILES: O1[C@H](C(=C)C)[C@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CCC=5[C@@]4(C=6NC=7C=CC8=C(C7C6C5)[C@@]9(O)[C@H](C[C@@H]9C(O)(C)C)C(C8)=C)C)C)O2
Compound: Secoemestrin D
SMILES: S1SS[C@]23N([C@@H]4[C@@H](OC(=O)C5=CC(O)=C(OC)C=C5)C=COC=C4C2)C([C@@](S1)(N(C)C3=O)CC6=CC=C(O)C=C6)=O
Compound: Perenniporide A
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@@]3(OC(=O)[C@@H](C3)O)C(=C1)OC)CC
Compound: Plastin D
SMILES: O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@@H](C(N[C@@H]1C(C)C)=O)CCCN=C(N)N)=O)CC2=CC=CC=C2)CC(C)C)CC(C)C
Compound: Kurstakin 1
SMILES: O=C1OCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CCCCCCCC(C)C)C(O)C)C)C(=O)NC(CC2=NC=CN2)C(NC(C(NC1CCC(=O)N)=O)CCC(=O)N)=O
Compound: Colobetaolactone I
SMILES: O=C1O[C@@H]([C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)CC3)(C)CC2)C)C)CC=C1C
Compound: Alantrypinene B
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@]4(NC([C@H]2C[C@@]45C6=C(C=CC=C6)N=C5)=O)C
Compound: Gloeophyllin F
SMILES: O=C(O)[C@H]([C@@H]1[C@@]2([C@H](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)CC1)C)CCC(=C)C(C)C
Compound: Pyripyropene T
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C=C4[C@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(COC(=O)C)C)C[C@@H]([C@]4(O3)C)O)C
Compound: Griseorhodin D1/D2
SMILES: O=C1C2=C(O)C3=C(C4=C(O)C(=C(CC(=O)C)C=C4CC3)C(=O)O)C=C2[C@@H]([C@H]5C6=C(C(=O)C7=C5C=C(O)C=C7O)C(O)=C8CCC=9C(C8=C6)=C(O)C(=C(CC(=O)C)C9)C(=O)O)C=%10C1=C(O)C=C(O)C%10
Compound: Secopenicillide C
SMILES: O=C(O)C1=C(O)C(=CC=C1OC2=C(O)C=C(C)C=C2CO)/C=C/C(C)C
Compound: Rubellin E
SMILES: O=C1C2=C(C(=O)C3=C1C(O)=CC4=C3[C@H]5C=C[C@@H](O)[C@H]([C@@]5([C@@H](O)C6=C(C(O)=CC(=C6)C)C(=O)O)C4)O)C(O)=CC=C2O
Compound: Fomitoside C
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O[C@H]5[C@@H](OC[C@H]([C@@H]5O)O)O)CCC=C(C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Chrysorrhedial
SMILES: O=CC1=CC2=C(CC(C2)(C)C)[C@@H](C[C@H]1C=O)C
Compound: Daldinin A
SMILES: O=C1O[C@H](CC)C=2C1=C3O[C@@H](C(O)(C)C)[C@H](C3=CC2)O
Compound: Cyanogriside G
SMILES: O1[C@@H](OC2=C(O)C(=NC(=C2)/C=N\O)C3=NC=CC=C3)[C@H](O)[C@H](O)[C@H]([C@@H]1C)O
Compound: Decipienolide A
SMILES: O=C1O[C@@]2(OC[C@]3(C2)[C@@H]4C(=C)[C@@H](OC(=O)C(C(O)C)(C)C)C[C@H]3C4)C[C@@H]1C
Compound: Lobophorin F
SMILES: O=[N+]([O-])[C@]1([C@H](NC(=O)OC)[C@@H](O[C@H](C1)OC2C(=C[C@@H]3C=C([C@@H](C)CC34OC(=O)C(C4=O)=C([C@]5([C@@H](C(=CC2)C)C=C[C@H]6[C@H](O[C@H]7O[C@H]([C@H](O)[C@@H](C7)O[C@H]8O[C@H]([C@H](O)[C@@H](C8)O)C)C)[C@H](C)C[C@H]([C@H]56)C)C)O)C)C)C)C
Compound: Actinoramide D
SMILES: O=C1N(C(=O)N)CC[C@H]1NC(=O)[C@H]([C@H](O)[C@@H](NC(=O)[C@H]2N(N=CCC2)C(=O)[C@H](NC(=O)COC)[C@H](O)C(C)C)CC3=CC=CC=C3)C
Compound: Antineocyclocitrinol B
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3/C(=C\[C@H](O)[C@H](O)C)/C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: Nitrosporeunol E
SMILES: O1C2=C(C=C(O)C(=C2)C)C=C[C@]1(CC/C=C(/CCC=C(C)C)\C)C
Compound: Rezishanone D
SMILES: O=C1[C@@](O)([C@@H]2C(C(=O)CC/C=C/C)=C([C@]1(C(OCC)C2)C)O)C
Compound: 5-N-acetyl-15b-didehydroardeemin
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C=4N([C@@H]5N(C=6C=CC=CC6[C@@]5(C4)C(C=C)(C)C)C(=O)C)C([C@H]2C)=O
Compound: Enniatin-B2
SMILES: O=C1OC(C(=O)N(C(C(=O)OC(C(=O)NC(C(OC(C(N(C1C(C)C)C)=O)C(C)C)=O)C(C)C)C(C)C)C(C)C)C)C(C)C
Compound: Berkleasmin D
SMILES: O=C(O[C@H]1[C@@]23O[C@@H]2[C@]4(O[C@@H](OC)C(=C4C[C@@]3([C@@H](C)CC1)C)C)OC)[C@@H]([C@H](O)/C(=C/C(CO)CCCCCC)/C)C
Compound: 6,13-dihydroxypunctaporonin B
SMILES: O[C@@]1(C=CC=C(CO)[C@@H]2[C@]([C@H](C1)O)(O)[C@](C2)(CO)C)C
Compound: 14-methoxytajixanthone
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)[C@@H](OC)[C@@H]5OC5(C)C
Compound: 10-Oxodehydrodihydrobotrydial
SMILES: O=C1OC[C@]2(CC(C3=C2C1=C(C=C3)C)(C)C)C
Compound: Palmarumycin-CP3a
SMILES: O=C1C2C(=O)CC[C@@H]3[C@H]2C4(OC=5C=6C(C=CC5)=CC=CC6O4)[C@H](C1)O3
Compound: Threo-23-O-methylneocyclocitrinol
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CCC3/C(=C/[C@H](OC)[C@@H](O)C)/C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: Pallidorosetin A
SMILES: O=C1N([C@@H](CO)C(C1=C(O)[C@@]2([C@@H](C=C[C@H]3[C@H]2CC[C@@](C3)(O)C)/C=C/C)C)=O)C
Compound: Phelligridin H
SMILES: O=C1OC(C2=C(OC3=C2C(=O)OC(/C=C/C4=CC(O)=C(O)C=C4)=C3)C5=CC(O)=C(O)C=C5)=CC6=C1C7=C(C=C(O)C(=C7)O)C(O6)=O
Compound: Landomycin X
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)OC%10OC(C(O)CC%10)C)C)CC8)C)CC7)C)C)C(C5)O)C)O
Compound: (5S,S)-5-methyl-3-(6-methyloctyl)furan-2(5H)-one
SMILES: O=C1O[C@@H](C)C=C1CCCCC[C@H](CC)C
Compound: [D-Asp3, Dhb7]microcystin-LR
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N\C1=C\C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CC(C)C)C
Compound: Citreopyrone B
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C/C=O
Compound: Hept-4-trans-en,6-yne-2,3-diol
SMILES: OC(/C=C/C#C)C(O)C
Compound: Pentacecilide B
SMILES: O=C1O[C@H](CC=2C1=C(O)C=C3O[C@]4(CC[C@@H]5[C@@]([C@H]4CC23)(C[C@H](C(=O)C)C(C5(C)C)=O)C)C)C
Compound: Terpendole M
SMILES: O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=CC=CC8C7C[C@@H]6C[C@@H]5O)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1C=C(C)C)O4)(C)C
Compound: Ambiguine G nitrile
SMILES: Cl[C@H]1[C@@](C2=C3C=4C=5C(=CC=CC5C([C@H]3C1)(C)C)NC4C(C(=C2)C#N)(C)C)(C=C)C
Compound: NG-011
SMILES: O=C1O[C@@H](CC(=O)O[C@@H](CC2=C(C(=O)O[C@H](C)CC(OC[C@H](CC(O[C@@H](CC=3C1=C(O)C=C(O)C3)C)=O)O)=O)C(O)=CC(=C2)O)C)C
Compound: Luminacin C1/C2
SMILES: O=C(C1=C(O)C(=C(O)C(=C1)C(OC)C(C)C)C=O)C(C2O[C@@H](O)C3(O[C@H]3CC)[C@@H](C2)O)CCC
Compound: 2-(1-hydroxy-1-methylpropyl)-3-methoxypyrazine
SMILES: O(C1=NC=CN=C1[C@@](O)(CC)C)C
Compound: Atranone H
SMILES: O=C1O[C@@]2([C@H](CC=C([C@H]3O[C@](O)(C)[C@@H]4[C@H]3C(=C(CC2)C)OC4=O)C)[C@@](C1=O)(O)C(C)C)C
Compound: Benzastatin B
SMILES: O=C(N)C1=CC(=C(N)C=C1)C/C=C(/CCC(=C(C)C)C)\C
Compound: Aspergillazine C
SMILES: S1C(N)(C(=O)NC=2C(=O)OC=3C(OC)=C(OC)C=CC3C2)C[C@@]4([C@H]1C=C[C@@H](O)[C@@H]4O)O
Compound: Citridone C
SMILES: O=C1N[C@H]([C@H](O)C2=CC=CC=C2)C(=C1C3(C(=O)C(C)=C(C3)C)C)O
Compound: Ganodermatetraol
SMILES: O[C@@H]1C(C2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CCC=C(CO)CO)C)C[C@@H]4O)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Plorantinone A
SMILES: O=C1C(=C2[C@@](CC2)(C)[C@@H]3[C@H]1C[C@](CO)(C)C3)C
Compound: Solanapyrone K
SMILES: O=C1OC(=CC(=C1C=NCCO)O)[C@]2([C@H]3[C@@H](C=C[C@@H]2C)CCC[C@@H]3C)C
Compound: PGL KI
SMILES: O=C(OC(CC1=CC=C(O[C@H]2OC([C@@H](OC)C(C2OC)O[C@H]3OC([C@@H](O)C(C3OC)O[C@H]4OC([C@H](OC(=O)C)C(C4OC)O[C@@H]5OC([C@@H](OC)C(C5)O)C)C)C)C)C=C1)CC(OC(=O)C(CCC)C)CCCCC(C(OC)CC)C)C(CCC)C
Compound: Herboxidiene
SMILES: O=C(O)CC1O[C@@H](/C(=C/C=C/C(CC2(OC2C(C(OC)C(O)C)C)C)C)/C)[C@H](C)CC1
Compound: Hypsiziprenol-B8
SMILES: OC(C=C)(CC/C=C(/CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)\C)\C)C
Compound: Liposidomycin M-(III)
SMILES: O=C1N(C(C(=O)O)C(OC(=O)CC(OC(=O)CC(CC(=O)O)C)CCCCCCCCCCCCC)CN(C1C(OC2OC(CN)C(C2O)O)C3OC(N4C(=O)NC(=O)C=C4)C(C3O)O)C)C
Compound: Iromycin B
SMILES: O=C1NC(=C(CCC)C(=C1C)O)C/C=C(/C/C=C/C(O)(C)C)\C
Compound: (+)-epicytoskyrin
SMILES: O=C1C2=C(C(O)=C3[C@]14[C@H]5C(=O)C6=C(O)C=7C(O)=CC(=CC7C([C@@]86[C@@H]([C@H]4[C@H](O)[C@@H]8C3=O)[C@@H]5O)=O)OC)C(O)=CC(=C2)OC
Compound: Sarmentosamide
SMILES: O=C(N)/C(=C/[C@@H](NC(=O)\C=C/C=C/C)C)/C
Compound: Neomangicol A
SMILES: Cl/C=C\1/C2=C3C(=C[C@]4(C[C@@H]([C@@]([C@H]4[C@@H]3CC1)(C[C@H](O)[C@H](O)[C@@](O)(CO)C)C)O)C)[C@H](C2)C
Compound: Nybomycin
SMILES: O=C1N(C2=C(C=C3C(=CC(N4C3=C2OC4)=O)C)C(=C1)CO)C
Compound: Salfredin A3
SMILES: O=C1N(C(C(=O)O)CCC(=O)O)CC2=C1C=C3O[C@H]([C@H](C(=O)O)C)CC3=C2O
Compound: Pyrophen
SMILES: O=C1OC(=CC(=C1)OC)[C@@H](NC(=O)C)CC2=CC=CC=C2
Compound: Hypelcin B-V
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)CO)CCC(=O)N)CCC(=O)O)(C)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C)(C)C)CCC2)(C)C)C)(C)C)(C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)(C)C)(C)C
Compound: Graphiumin H
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C(C(O)C(C(=O)/C(=C/C)/C)C)C)C=CC4)[C@@H]5[C@@H](O)C=COC=C5C2)C
Compound: Roselipin 2A
SMILES: O=C(OC[C@@H](O)[C@H](O)[C@H](O)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)COC(=O)C)[C@H](C[C@H](C[C@H](CC)C)C)C)C)/C)C)/C)C)/C
Compound: 4-chloro-6,7-dihydroxymellein
SMILES: Cl[C@H]1C2=C(O)C(O)=CC(=C2C(=O)O[C@H]1C)O
Compound: Divaricatine B
SMILES: O=C1C2=C(C=C3C[C@](CC3=C2C)(CO)C)COC1O
Compound: APHE-1
SMILES: O=C1N2NC=C(C2=CC3=C1C=CC=C3)CC
Compound: Curvulapyrone
SMILES: O=C1OC(=CC(=C1C(O)C(O)C(O)C)O)/C=C/C
Compound: Oligomycin G
SMILES: O=C1OC2C(C3(OC(C2C)CCC(C=CC=CCC(C)C(C(C(CC(C(C(C(C(C(C=C1)C)O)C)O)C)O)=O)C)O)CC)OC(C(C)CC3)CC(O)C)C
Compound: 7-cis-Laetiporic acid
SMILES: O=C(O)C[C@@H](O)C/C=C/C=C\C=C\C=C\C=C\C=C\C=C\C=C/C=C/C=C(/C(=O)C)\C
Compound: Harzianumol B
SMILES: O[C@@H]([C@@H](O)CC/C=C/C)C/C=C/C=C/C
Compound: Irlactin B
SMILES: O1[C@@H](O)[C@H]2C(CO)=C3C([C@@H]1C2)([C@@H](O)CC(C3)(C)C)C
Compound: (-)-(2S,3S,6S,7S,9S)-tremul-1(10)-ene-11,12,15-triol
SMILES: OC[C@@]1(C=C2[C@H]([C@H](CC[C@@H]([C@@H]2C1)C)CO)CO)C
Compound: Archazolid D
SMILES: S1C(=NC(=C1)[C@H]2OC(=O)C(=CCC(=C[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)[C@H](C=C(C=C(C=C[C@H]([C@@H]([C@@H](C(=CC=C[C@@H]2C)C)OC)C)O)C)CO)C)C)C)[C@@H](OC(=O)NC)CC(C)C
Compound: 10alpha,13-dihydroxy-1beta-methoxyeremophil-7(11)-en-12,8beta-olide
SMILES: O=C1O[C@@H]2C[C@]3(O)[C@H](OC)CC[C@@H]([C@]3(CC2=C1CO)C)C
Compound: Gabosine G
SMILES: O=C1C=C([C@H](O)[C@H]([C@@H]1O)O)COC(=O)C
Compound: Anhydrowaraterpol B
SMILES: OC1=C(/C(=C/CC[C@@H](CO)C)/C)C=CC(=C1)CO
Compound: Terretrione D
SMILES: O=C1N(C(=O)[C@@H](CC2=CC=CC=C2)C(N[C@H]1C(C)C)=O)C
Compound: Tricladic acid A
SMILES: O=C(O)/C(/C(C(=O)O)=C)=C/CCCCC[C@@H](O)C
Compound: Gargalol A
SMILES: O1[C@@]23[C@@]([C@@H]4C([C@H]5[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC5)(C)CC4)=C[C@@H]2O)(CC[C@@H]([C@H]13)O)C
Compound: Dihydroxerulin
SMILES: O=C1OC(=CC=CC=CC=CC#CC#CCCC)C=C1
Compound: Plusbacin A4
SMILES: O=C1OC(CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@@H](C(N3[C@H](C(N[C@H]1[C@H](O)C(=O)O)=O)[C@H](O)CC3)=O)CO)=O)[C@@H](O)C(=O)O)=O)CCCN=C(N)N)[C@H](O)CC2)C)[C@H](O)C)CCCCCCCCCCCCC
Compound: Coniosclerodione
SMILES: O=C1C(=O)C=2C(O)=CC(=C3C2C1=C(O)C=C3OCC=C(C)C)C
Compound: 5'-Hydroxymonocillin III
SMILES: O=C1O[C@@H](C[C@H]2OC2C[C@H](O)C=CC(CC=3C1=C(O)C=C(O)C3)=O)C
Compound: Conosilane A
SMILES: O=C1C2=C(C(=O)[C@H]3[C@]24[C@H](OC(C4)=O)OC3)CC(C1)(C)C
Compound: 2-methoxy-5-methyl-1,4-benzoquinone
SMILES: O=C1C(OC)=CC(=O)C(=C1)C