MonarchInit/C3PO huggingface dataset:
Compound: Micropeptin LH925
SMILES: S(=O)(=O)(OCC(O)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](O)CC2)CCCCN(C)C)O
Compound: Babetaianin
SMILES: O=C1N(O)C=C(C2=CC=C(O)C=C2)C(=C1C(=O)/C=C/C=C/C(=C/[C@H](CC)C)/C)O
Compound: (3R,4R,5R)-2,4,6-trimethyloct-6-ene-3,5-diol
SMILES: O[C@@H](/C(=C/C)/C)[C@@H]([C@H](O)C(C)C)C
Compound: 2S,4R-spinosate
SMILES: O=C(OC)[C@@H](OC)C[C@@H](OC)C1=C(O)C(C(=O)C)=CC=C1O
Compound: Asterriquinone CT5
SMILES: O=C1C(O)=C(C(=O)C(=C1C=2C3=C(C=CC=C3)NC2CC=C(C)C)O)C=4C5=C(C=CC=C5)NC4CC=C(C)C
Compound: 4RS,7SR,11SR,2H-3,4,4a,5a,7,8-hexahydro-4-hydroxy-pyrano[2,3-b]cyclopenta[d]pyran-9(6H)-one
SMILES: O=C1C2=C(CO[C@@H]3[C@H]2[C@@H](O)CCO3)CC1
Compound: Rubetaujaponol E
SMILES: OCC1=C(C(=C2C[C@](CC2=C1)(CO)C)C)CCO
Compound: Neomaclafungin I
SMILES: O=C1O[C@@H]2[C@@H]([C@@H](O[C@]3(C2)O[C@H]([C@@H](C)CC3)C[C@H](O)C)CC[C@H](C=CC=CCC[C@H]([C@H]([C@H](C[C@H](C[C@H]([C@@H]([C@@H]([C@H](C=C1)C)O)C)O)OC)O)C)O)CC)CCCCC
Compound: Citrifelin A
SMILES: O1C2=C3C(=C(C)C(=C2)O)[C@@H]([C@@H](C)O[C@@H]3C[C@@H]1C4=CC=C(O)C=C4)C
Compound: Aeruginoside 126A
SMILES: O=C(NCCC1=CCN(C1)C(=N)N)[C@H]2N(C(=O)[C@H](NC(=O)[C@H](O)CC3=CC=CC=C3)CC(C)C)[C@H]4C[C@H](O[C@H]5OC[C@@H](O)[C@@H]([C@H]5O)O)CC[C@H]4C2
Compound: SMTP-33
SMILES: O=C1N([C@H]2C(O[C@H](CO)[C@H]([C@@H]2O)O)O)CC3=C1C=C(O)C4=C3O[C@]([C@@H](O)C4)(CCC=C(CCC=C(C)C)C)C
Compound: 1-(3-Formylphenyl)-ethanone
SMILES: O=C(C1=CC(=CC=C1)C=O)C
Compound: (-)-episphaeropsidone
SMILES: O=C1C=C(OC)[C@@H](O)[C@H]2[C@@H]1O2
Compound: Luminmycin B
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(O)CC(=O)O)C)CCCCN)[C@H](O)C)/C=C/C=C/CCCCCCC
Compound: N-(1-(2,2-dimethyl-5-undecyl-1,3-dioxolan-4-yl)-2-hydroxyethyl)stearamide
SMILES: O=C(N[C@H]([C@H]1OC(C)(C)O[C@@H]1CCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC
Compound: (-)-epoxyserinone A
SMILES: O=C1C=C(OC)[C@@]2(O[C@@H](C[C@@]32[C@]1(O3)C)C)O
Compound: Teleocidin B4
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1C(C)C)C)C=C4[C@@](C(C)C)(CC[C@@](C34)(C=C)C)C)CO
Compound: Madindoline A/B
SMILES: O=C1C(C(=O)C(C1CCCC)C)(CN2C3=C(C=CC=C3)C4(C2OCC4)O)C
Compound: Glisoprenin B
SMILES: O1C(CCC1C(O)(C)C)(CCCC(O)(CCCC(O)(CCCC(O)(CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)C)C)C)C
Compound: Versicoumarin B
SMILES: O=C1O[C@@H](CC=2C1=C(OC)C=C(OC)C2CC=C(C)C)C
Compound: Pneumocandin B1
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)CC2
Compound: 4-hydroxy-L-lysine
SMILES: NCCC(O)C[C@H](N)C(O)=O
Compound: SMTP-5
SMILES: O=C1N(C(C(=O)O)CC(C)C)CC2=C1C=C(O)C3=C2OC(C(O)C3)(CC/C=C(/CCC=C(C)C)\C)C
Compound: Lachnumon B1
SMILES: Br/C(=C\C)/C12OC1C(=O)C=C(C2O)OC
Compound: Inonotin B
SMILES: O=C1[C@@](O)([C@H]2[C@H]([C@@H](C)CC2)[C@@H]3[C@H](C1)[C@]3(CO)C)C
Compound: Trichodermamide B
SMILES: Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)CC(C(=O)NC=3C(=O)OC=4C(OC)=C(OC)C=CC4C3)=NO2
Compound: Dechlorobarbamide
SMILES: ClC(Cl)[C@H](C/C(/OC)=C\C(=O)N(C(C=1SC=CN1)CC2=CC=CC=C2)C)C
Compound: Chaxalactin B
SMILES: O=C1O[C@H](/C=C/CC)CC=CC=C[C@@H](O)[C@H](O)[C@H](O)[C@H](C)C=CC[C@@H](C=CC=C(C=C1)C)C
Compound: Dothideomynone C
SMILES: O=C1C(=C2C(=COC(=C2)C)[C@@H]([C@]1(O)C)O)COC
Compound: Lucidenic acid P
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3([C@@H]1OC(=O)C)C)[C@@H](CCC(=O)O)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Norbikaverin
SMILES: O=C1C=2OC3=C(C(=CC(=C3)OC)C)C(C2C(=O)C=4C1=C(O)C(O)=CC4O)=O
Compound: 8alpha-acetoxy-5alpha-hydroxy-7-oxodecan-10-olide
SMILES: O=C1O[C@@H](C[C@@H](OC(=O)C)C(=O)C[C@H](CC1)O)C
Compound: 4-hydroxyproline
SMILES: OC1CNC(C1)C(O)=O
Compound: Quinolinone A
SMILES: O=C1NC2=C(C=CC=C2)[C@]([C@H]1OC)(O)C3=CC=C(OC)C=C3
Compound: 7-hydroxy-3-(hydroxymethyl)-1-methoxy-9H-xanthen-9-one
SMILES: O=C1C2=C(OC3=C1C=C(O)C=C3)C=C(CO)C=C2OC
Compound: Dihydroisoflavipucine
SMILES: O=C1NC(=CC2=C1O[C@H]([C@@H](O)CC(C)C)O2)C
Compound: Sch 58761
SMILES: ClC1=C(OC)C(=C(C)C(=C1O)Cl)C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H]([C@H](OC)[C@](C3)([N+](=O)[O-])C)C)C[C@H](O[C@H]4[C@H](O)C[C@@]5(O[C@@]6([C@H](O)[C@H](O[C@@H]7[C@H](OC)[C@@H](O[C@@H]([C@H]7O)O[C@H]8[C@H](O)[C@H](OC)[C@H](O[C@@H]9OC[C@@H]%10O[C@]%11(O[C@H]%10[C@H]9O)OC[C@@H](OC(=O)C%12=C(O)C(Cl)=C(O)C=C%12C)[C@H]%13[C@H]%11OCO%13)O[C@@H]8COC)C)O[C@@H]([C@H]6O5)C)C)O[C@@H]4C)O[C@@H]2C
Compound: Altersolanol E
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1[C@H](O)[C@H](O)[C@]([C@@H]3O)(O)C
Compound: Shurimycin B
SMILES: O=C1OC(C(C=CC=C(C(O)C(C(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC=C1)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C)C(CCC/C=C/CCCNC(=NC)NC)C
Compound: (1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-5,14-diethyl-2,11,20,23-tetramethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
SMILES: O=C1O[C@@H](C[C@@H]2O[C@H]([C@@H](C(=O)O[C@@H](C[C@@H]3O[C@H]([C@@H](C(O[C@@H](C[C@@H]4O[C@H]([C@@H]1C)CC4)CC)=O)C)CC3)C)C)CC2)CC
Compound: Ganoleuconin E
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3([C@H]1O)C)[C@@H](CC/C=C(/C(=O)O)\C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC([C@]4(CO)C)=O)C
Compound: Tornabeatin A
SMILES: O=C/1O[C@](CO)(C)C\C1=C\CCCCCCC/C=C\CCCCCC
Compound: Trichobotrysin D
SMILES: O=C/1N([C@H](C(C)C)C(\C1=C(\O)/[C@@H]2[C@H](C(=C[C@H]3[C@H]2[C@H](CCC3)C)C)/C(=C/C)/C)=O)C
Compound: GEX1Q2
SMILES: O=C(O)C[C@@H]1O[C@H](/C(=C/C=C/C(O)(C[C@]2(O[C@@H]2[C@@H]([C@@H](OC)[C@H](O)C)C)C)C)/C)[C@@H](C)CC1
Compound: Arugosin H
SMILES: O=C(C1=C(O)C(=CC=C1O)CC=C(C)C)C2=C(O)C=C(C)C(=C2C=O)O
Compound: Cytosporone G
SMILES: O=C(C1=C(O)C=C(O)C=C1CC(=O)OCC)/C=C/C=C/CCCO
Compound: Lorneic acid A
SMILES: O=C(O)C/C=C/C1=C(C=C(C)C=C1)/C=C/CCCC
Compound: Hapalindole T
SMILES: Cl[C@H]1[C@](C=C)([C@@H]2NC(=O)S[C@@]23C=4C=5C(=CC=CC5C([C@H]3C1)(C)C)NC4)C
Compound: Penipacid C
SMILES: O=C(O)NC(=NC1=C(C(=O)O)C=CC=C1)C
Compound: (2E,4E)-2-methyl-hexa-2,4-dienoic acid (2'R,3'S)-allo-isoleucinol amide
SMILES: O=C(N[C@H]([C@H](CC)C)CO)/C(=C/C=C/C)/C
Compound: Preaustinoid B
SMILES: O=C1C(C2[C@](C3[C@@](C4(C(=O)[C@](C(C3)(C)C4=C)(O)C(=O)C)C(=O)OC)(C)CC2)(C)CC1)(C)C
Compound: A-72363 C
SMILES: O=C(O)[C@@H]1[C@H](O)[C@H](O)[C@H](NC(=O)C)NC1
Compound: Ammocidin A
SMILES: O=C1OC(C(C2(OC(C(OC3OC(C(OC4OC(C(O)C(C4)(O)C)C)C(C3)O)C)(C)C(C2OC)O)CCCOC)O)C)CC(C(O)C=C(C=C(C=C(C(C(C=C(C=C(C=C1C)OC)C)C)OC5OC(C(O)C(C5O)O)C)C)C)C)C
Compound: Sorbicillamine A
SMILES: O=C1C(=C(O)/C=C/C=C/C)[C@@H]2N3CCC[C@@H]3[C@]1(C(=O)[C@]2(O)C)C
Compound: Y-14556
SMILES: ClC(Cl)[C@]1(OC(=O)C2=C(O)C[C@H](C[C@H]2[C@H]1NC(=O)[C@@H](N)C)O)C
Compound: BE-32030 E
SMILES: O=C1N(O)CCCCC1NC(=O)CC(OC(=O)C(NC(=O)C2(N=C(C3=C(O)C=CC=C3)OC2)C)CCCCN(O)C(=O)CCC/C=C\CCCCCCCC)C
Compound: Peniphenone
SMILES: O=C(O)C1=C(C(O)=CC=C1)C(=O)C2=C(O)C=CC=C2O
Compound: 15-hydroxy-17-methoxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c ][1]oxacyclotetradecine-1,11(12H)-dione
SMILES: O=C1O[C@@H](CCCCCCCC(CC=2C1=C(OC)C=C(O)C2)=O)C
Compound: (+)-N-deoxymilitarinone A
SMILES: O=C1NC=C(C2(O)CCC(O)CC2)C(=C1C(=O)/C=C/C=C/C(=C/[C@@H](C[C@@H](CC)C)C)/C)O
Compound: Leporizine B
SMILES: S1S[C@@]23N([C@@H]4NC=5C=CC=CC5C4([C@@H]2O)O)C([C@@]16N(C7CC=8O[C@H](C)C(C8C(C7([C@@H]6O)O)=O)(C)C)C3=O)=O
Compound: R(+)-2-(heptan-3-yl)quinazolin-4(3H)-one
SMILES: O=C1NC(=NC2=C1C=CC=C2)[C@@H](CCCC)CC
Compound: 8-acetylneosolaniol
SMILES: O=C(O[C@@H]1C(=C[C@H]2O[C@H]3[C@@]4([C@@]([C@]2(C1)COC(=O)C)([C@H](OC(=O)C)[C@H]3O)C)OC4)C)C
Compound: Eudesma-5,11-diene
SMILES: C12=C[C@H](C(=C)C)CC[C@]1(CCC[C@@H]2C)C
Compound: Comnostin A
SMILES: O=C(O)C1=CC(=C(O)C=C1)C[C@]2(C3[C@@](C4[C@@]([C@@](CO)(C)CC4)(C)CC3)(CC[C@H]2C)C)C
Compound: Kobifuranone C
SMILES: O=C1OCC(=C1/C=C/C=C/C)C(O)(O)C
Compound: Mellisol
SMILES: O=C1[C@@]2(O)[C@]3(OC[C@@H]1[C@@H](O)O[C@H]2[C@H](CC)CC3)O
Compound: 1-Cyclohexylhexadecane
SMILES: C1(CCCCC1)CCCCCCCCCCCCCCCC
Compound: PI-087
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H](C(=O)C=C7)C)CC6)C)CC5)C)(C)C4)O)[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@H](C(=O)C=C9)C)[C@@H](C8)O)C
Compound: Preubetaomerin EG3
SMILES: O=C1C2=C3C(O[C@@]45C=6C(=C(O)C=CC6O[C@@]3(O4)[C@@H](C1)OC)C(=O)CC5)=CC=C2
Compound: Farnesylacetone epoxide
SMILES: O=C(CC/C=C(/CCC1OC1(CCC=C(C)C)C)\C)C
Compound: (1S,2S,3S)-3-hydroxy-1,2-dimethyl-1,2,3,9-tetrahydrocarbazol-4-one
SMILES: O=C1C=2C3=C(C=CC=C3)NC2[C@@H](C)[C@@H]([C@@H]1O)C
Compound: Violaceoid B
SMILES: OC1=C(C(=C(O)C=C1)CO)[C@@H](O)CCCCCC
Compound: Oxirapentyn K
SMILES: O=C1C2=C(OC(C1)(C)C)[C@@H]3O[C@@]34C[C@@H](OC(=O)C)C(O[C@H]4[C@@H]2O)(C)C
Compound: Cryptophycin C
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=C/C3=CC=CC=C3)C
Compound: Microginin 91-C
SMILES: O=C(N[C@H](C(=O)O)CC1=CC=C(O)C=C1)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](O)[C@H](N)CCCCCCC)[C@H](CC)C)C)CC(C)C)CCC2
Compound: 6-methoxymethyleugenin
SMILES: O=C1C2=C(O)C(=C(OC)C=C2OC(=C1)C)COC
Compound: Guignarderemophilane D
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H]([C@@H](O)[C@H]([C@@H](C2=C1)O)O)C)C
Compound: 12beta-acetoxy-3beta,7beta-dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acid
SMILES: O=C1C2=C([C@@]3(C(=O)C=C([C@]3([C@@H]1OC(=O)C)C)C(CC(=O)CC(C(=O)O)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Tyropeptin B
SMILES: O=C(N[C@H](C(=O)NC(C=O)CC1=CC=C(O)C=C1)CC(C)C)[C@@H](NC(=O)CCC)CC2=CC=C(O)C=C2
Compound: N-[(2R,8S,11S,14S,17S,20R,21S)-2-benzyl-14-[(1R)-1-hydroxy-2-methylpropyl]-17-[(1R)-1-methoxyethyl]-4,8,10,11,16,20-hexamethyl-5-methylidene-3,6,9,12,15,18,22-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-21-yl]acetamide
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@@H]([C@H](OC)C)C(O[C@@H]([C@@H](C(O[C@@H](C(N(C1=C)C)=O)CC2=CC=CC=C2)=O)NC(=O)C)C)=O)C)[C@H](O)C(C)C)C)C)C
Compound: Meleagrin D
SMILES: O=C1N2/C(/C(=O)N[C@]23N(OC)C=4C=CC=CC4[C@]3(C(C=C)(C)C)C=C1O)=C/C=5N=CN(C5)C(CC(=O)C=C(C)C)(C)C
Compound: Beauverolide P
SMILES: O=C1O[C@H]([C@H](CCCCCC)C)CC(=O)N[C@@H](C(C)C)C(N[C@H](C(N[C@@H]1CC(C)C)=O)C)=O
Compound: Cochliodone C
SMILES: O=C1C(C=2C(=O)[C@@](OC(=O)C)(C(=O)C=3C2[C@@H](OC(=O)C)[C@@]4(O[C@@H](CCC4)C)OC3)C)=C5C(=CO[C@@]6([C@@H]5OC(=O)C)O[C@H](CCC6)C)C([C@@]1(OC(=O)C)C)=O
Compound: Koshikalide
SMILES: O=C1O[C@H](C[C@H](OC)C=CCCC(=CCC(=C1)C)C)CO
Compound: Deoxyverrucosidin
SMILES: O=C1OC(=C(C)C(=C1C)OC)/C(=C/C(=C/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)/C)/C
Compound: 6-Hydroxysordarin
SMILES: O=C(O)C12C(=CC3C1(C[C@H]4[C@H](C2(C=O)C3)C[C@H](O)[C@H]4C)COC5OC(C(OC)C(C5O)O)C)C(C)C
Compound: 4,6-di-O-acetyl hygrophorone A12
SMILES: O=C1C=C[C@H]([C@@]1(O)C(OC(=O)C)CCCCCCCCCCCC)OC(=O)C
Compound: 3b,15a-Diacetoxylanosta-8,24-dien-26-oic acid
SMILES: O=C(O)/C(=C/CCC([C@@H]1[C@@]2([C@@](C3=C([C@@]4(C(C([C@@H](OC(=O)C)CC4)(C)C)CC3)C)CC2)(C)[C@H](C1)OC(=O)C)C)C)/C
Compound: 5-hydroxy-9-methylstreptimidone
SMILES: O=C1NC(=O)CC(C1)CC(O)CC(=O)C(O)(/C=C(/C=C\C)\C)C
Compound: Epi-phelligrin A
SMILES: O=C1C2=C(O)C(=C(O)C=C2O[C@H](C1)C3=CC=C(O)C=C3)CC4=C(O)C=CC=C4
Compound: Phenylpyropene E
SMILES: O=C1OC(C2=CC=CC=C2)=CC3=C1[C@H](O)[C@@H]4[C@@]5([C@H]([C@@]([C@@H](O)CC5)(COC(=O)C)C)C[C@@H]([C@]4(O3)C)OC(=O)C)C
Compound: Reveromycin M
SMILES: O=C(O[C@]1([C@@H](O[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)CC1)/C=C/C(=C/C(=O)O)/C)CCCCCC)C3=COC(=C3)C(=O)O
Compound: Julichrome-Q2,3
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C(C4=C(O)C5=C(C(=O)C67[C@H]([C@](O)(C)CC([C@]7([C@@H]5O)O6)=O)[C@H](OC(=O)C)C)C=C4)=CC3)C(=C(C)C=C2O)[C@@H](OC(=O)C)C
Compound: YM-266184
SMILES: S1C/2=NC(=C1)C(=O)NC(C=3SC=C(N3)C(=O)NC(C=4SC=C(C5=C(C6=NC(C(NC(C(N\C2=C/C)=O)C(O)C)=O)=CS6)C=CC(=N5)C=7SC=C(N7)C=8SC=C(N8)C(=O)N/C(/C(=O)NCC(=O)C)=C/C)N4)C(OC)C)C(O)(C)C
Compound: Zaragozic acid D
SMILES: O=C(O)[C@@]1(O)C2(OC(CCC[C@@H](OC(=O)C)[C@@H](C/C=C/C3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CCCCCCC)O)C(=O)O
Compound: 7a-Hydroxy-13-desoxypaxilline
SMILES: O=C1C=C2[C@](O)(CC[C@]3([C@H]2CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C)O[C@@H]1C(O)(C)C
Compound: Corynechromone D
SMILES: O=C1C2=C(O[C@H](C1)C[C@@H](O)C)C=C(O)C=C2CC(=O)OCC(C)C
Compound: 7-deoxy-7,14-didehydrosydonol
SMILES: OC1=C(C(=C)CCCC(C)C)C=CC(=C1)CO
Compound: Cis-Fumagillin
SMILES: O=C(O[C@H]1[C@@H](OC)[C@@H]([C@@]2(OC2)CC1)C3(O[C@@H]3CC=C(C)C)C)/C=C\C=C\C=C\C=C\C(=O)OC
Compound: Cryptostictinolide
SMILES: O=C1OC2=C(C3=C(C(=O)OC3)C(=C2C)O)OC4=C1C(=CC(=C4CO)OC)C
Compound: Phomopsidin
SMILES: O=C(O)/C=C/C=C/[C@@H]1[C@@H](C(=C[C@@H]2[C@H]1[C@H](CC[C@@H]2O)C)C)/C(=C/C)/C
Compound: Monacyclinone A
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC=4C3=C(O)C=C(C)C4)[C@@H]5O[C@H]([C@@H](N(C)C)CC5)C
Compound: Virgatolide B
SMILES: O=C1O[C@H]([C@@H](O)C)C=2C1=C(O)C3=C(O[C@@]4(O[C@H](C[C@H](C4)O)C)[C@H](C3)C)C2
Compound: Citreopyrone E
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C/C=C/C(=O)C
Compound: Phomolide A
SMILES: O=C1O[C@H](C[C@H]2O[C@H]2C=CC=C1)CCC
Compound: (3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H]([C@@H](OC(=O)C)C=CC2=C1)C)C
Compound: Sartorypyrone A
SMILES: O=C1OC(=CC(=C1C/C=C(/CC/C=C(/CC[C@@H]2C(=C)CC[C@@H](C2(C)C)OC(=O)C)\C)\C)O)C
Compound: Cohaerin E
SMILES: O=C1C=C2C(=COC(=C2)C3=C(O)C=CC=C3C)C=4[C@]1(OC(=O)C4C(=O)C(CCCCCC)C)C
Compound: Udalactarane B
SMILES: O=C1O[C@H](OC[C@@]2(CC3=C([C@@]4(O)CC[C@]4(C[C@@H]3C2)C)C)C)[C@]56[C@]1(C[C@@H]7CC(C)(C)CC7=C5C=O)C6
Compound: Monasfluore A
SMILES: O=C1C=C2C(=COC(=C2)/C=C/C)C3C1(OC(=O)C3C(=O)CCCCC)C
Compound: 3beta,13-dihydroxyledol
SMILES: O[C@]1([C@@H]2[C@@H]([C@H](C)[C@H](C2)O)[C@@H]3[C@](CO)(C)[C@@H]3CC1)C
Compound: 14-hydroxyaflaquinolone F
SMILES: O=C1NC2=C(C=CC=C2)[C@@]([C@@H]1O)(O)C3=CC=C(O)C=C3
Compound: Sakyomicin A
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)[C@H](O)[C@](O)(C)C4)O
Compound: (3R)-6-Hydroxy-3-isopropenyl-heptanoate
SMILES: CC(O)CC[C@H](CC(O)=O)C(C)=C
Compound: (2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid
SMILES: OC(=O)C\C(=C\C=C(\O)C(O)=O)C(O)=O
Compound: ( Z)-6-benzylidene-3-hydroxymethyl-1,4-dimethyl-3-methylsulfanylpiperazine-2,5-dione
SMILES: S([C@]1(N(C(=O)/C(=C/C2=CC=CC=C2)/N(C1=O)C)C)CO)C
Compound: (2')-(Z)-5-(3'-hydroxymethyl-3'-methylallyloxy)-7-methoxy-6-methylphthalide
SMILES: O=C1OCC=2C1=C(OC)C(=C(OC/C=C(\CO)/C)C2)C
Compound: Roseopurpurin C
SMILES: O=C1OC2=C(C(=O)[C@@H](O)[C@@]([C@H]2OC3=C1C(=CC(=C3C)O)C)(OC)C)C
Compound: Palmarumycin C16
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14[C@]56O[C@@]5([C@H](O)[C@H]7[C@@H]4O7)[C@H](O)CCC6O
Compound: 4,6-diacetylhygrophorone A
SMILES: O=C1C=C[C@H]([C@@]1(O)[C@H](OC(=O)C)CCCCCCCCCCCC)OC(=O)C
Compound: Putidolumazine
SMILES: O=C1NC=2N(C(=O)C(CCC(=O)O)=NC2C(N1)=O)CC(O)C(O)C(O)CO
Compound: Destruxin A4
SMILES: O=C1N(C(C(=O)NCCC(=O)O[C@H](CC=C)C(N2[C@H](C(NC(C(N(C1C(CC)C)C)=O)C(CC)C)=O)CCC2)=O)C)C
Compound: Hypostrepsilalic acid
SMILES: O=C(O)C1=C(O)C=C2OC=3C(C2=C1C)=C(C=C(O)C3)C=O
Compound: 2-(2-nonenyl)-3-methyl-4-quinolonone
SMILES: O=C1C2=C(NC(=C1C)C/C=C/CCCCCC)C=CC=C2
Compound: Porothramycin A
SMILES: O=C1N2C=C(/C=C/C(=O)N(C)C)C[C@H]2[C@@H](O)NC3=C1C=CC=C3OC
Compound: Circumcin B
SMILES: O=C([C@@H](O)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Chaetochiversin B
SMILES: ClC1=C(O)C=C(O)C2=C1C=C(/C=C/C=C/[C@H]3O[C@@H]3C[C@H](O)C)OC2=O
Compound: Malformin B1a
SMILES: S1SC[C@H]2NC(=O)[C@@H](NC(=O)[C@H](NC([C@@H](NC([C@@H](C1)NC2=O)=O)C(C)C)=O)CC(C)C)[C@@H](CC)C
Compound: (2S)-2-[(2R,2'R,4'aS,6'R,8'aS)-2',4-dihydroxy-1',1',4'a,6'-tetramethyl-6-oxo-spiro[3,8-dihydrofuro[2,3-e]isoindole-2,5'-decalin]-7-yl]pentanedioic acid
SMILES: O=C1N([C@H](C(=O)O)CCC(=O)O)CC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)C3
Compound: Sesaminone
SMILES: O=C(C1=CC=2OCOC2C=C1)[C@H]3[C@@H]([C@@H](C4=CC=5OCOC5C=C4)OC3)CO
Compound: 11-dehydroxyepoxyphomalin A
SMILES: O=C1C(=C[C@@H](O)[C@]2([C@@H]1O2)C[C@H]3C(=CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)CO
Compound: Pestheic acid
SMILES: ClC1=C(O)C(=C(C(=O)OC)C=C1OC)C(=O)C2=C(C(O)=CC(=C2)C)C(=O)O
Compound: 6-acetoxymethylene-3,4-dihydro-3-heptantrienyl-8-hydroxyl-5-methylisocoumarin
SMILES: O=C1O[C@H](/C=C/C=C/C=C/C)CC=2C1=C(O)C=C(COC(=O)C)C2C
Compound: Napyradiomycin C
SMILES: Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(C[C@H](O)C(C4)=C)C)OC1(C)C)=O
Compound: Penicitrinol G
SMILES: O1C2=C3C(=C(C)C(=C2)O)[C@@H]([C@@H](C)O[C@@H]3C[C@H]1OC)C
Compound: Rhizoxin Z2
SMILES: O=C1O[C@H]([C@@H]([C@@H](OC)/C(=C/C=C/C(=C\C=2N=C(C)OC2)/C)/C)C)C[C@H](O)[C@]3(O[C@@H]3C=C[C@H]([C@@H](C[C@@H](CC=C1)CC(=O)OC)O)C)C
Compound: Xiamycin dimer
SMILES: O=C(O)[C@@]1([C@@H](O)CC[C@]2([C@H]1CCC3=C2C=C4C5=C(C=CC=C5)NC4=C3N6C7=C(C=C8[C@@]9([C@H]([C@](C(=O)O)([C@@H](O)CC9)C)CCC8=C7)C)C%10=C6C=CC=C%10)C)C
Compound: Muscarinic receptor antagonist 1
SMILES: O=C([C@@H](N)CCCN=C(N)N)CCCCCCCCN=C(N)N
Compound: Milbemycin alpha24
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)[C@H]5OC4)CO)O)C)C)O[C@@H]([C@@H](C)CC3)C
Compound: (1S,2S,4S)-1,2,3,4-tetrahydronaphthalene-1,2,4,5-tetrol
SMILES: OC1=C2C(=CC=C1)[C@H](O)[C@@H](O)C[C@@H]2O
Compound: 18-O-acetyl-nodusmicin
SMILES: O=C1O[C@@H]([C@@H](C=C(C)[C@]23[C@@H](C[C@@H]1OC)C=C[C@@H]4[C@H]2[C@H](O)[C@@H](C)[C@H]([C@@H]4O3)O)C)[C@H](OC(=O)C)C
Compound: Officimalonic acid H
SMILES: O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)CC(=O)OC)CC4)(C)C)CC3)C)C[C@H]2O)(C)CC1)C)C)C
Compound: Bovistol
SMILES: O=C1[C@]2(OC3=C(C(=C(C)C4=C3C[C@@](CO)(C)C4)CCO)CC2)C5(C(C)=C6[C@]1(O)C[C@@](CO)(C)C6)CC5
Compound: (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylic acid
SMILES: O=C1C(O)=C(C)[C@@]2([C@@]1(O)C[C@H]3C[C@@](C[C@@H]23)(C(=O)O)C)C
Compound: Inonotic acid B
SMILES: O=C(O)C(CCC=C([C@@H]1C[C@@H](O)[C@H](C)CC1)C)C
Compound: Hydroxypropan-2′, 3′-diol orsellinate
SMILES: O=C(OC[C@@H](O)CO)C1=C(O)C=C(O)C=C1C
Compound: Aeruginosin DA722
SMILES: ClC1=C(O)C(Cl)=CC(=C1)C[C@@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)OS(=O)(=O)O)C[C@H]2C(=O)NCCCCN=C(N)N)CC(C)C
Compound: Trichocellin-B-II
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)O)(CC)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)C(NC(=O)C(NC(=O)C)(C)C)C)(C)C)C)(C)C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)(C)C)(C)C
Compound: JM47
SMILES: O=C1N2[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@H]1CCCCCC(=O)[C@@H](O)C)=O)C)C)CCC2
Compound: Diemenensin B
SMILES: O=C1OC(=C(C)C(=C1C)O)/C(=C\C(=C\[C@H](C[C@H](CCC)C)C)\C)/C
Compound: Botryaloic acid
SMILES: O=C(O)[C@@]1([C@@]2(O)[C@@H](C=O)[C@@H](C[C@@H]([C@H]2C(C1)(C)C)O)C)C
Compound: Aegyptolidine A
SMILES: Cl[C@@H]1C(=O)N[C@@H]([C@@H]1OC2=CC=C(O)C=C2)COC(=O)C
Compound: Brunnein B
SMILES: O=C(O)[C@H]1N[C@@H](C=2NC3=C(C2C1)C=CC(=C3)O)C
Compound: Monasnicotinate D
SMILES: O=C(OC)C1=C(C=C(CCC)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCC
Compound: UK-1
SMILES: O=C(OC)C1=C2N=C(C3=C4N=C(C5=C(O)C=CC=C5)OC4=CC=C3)OC2=CC=C1
Compound: 8,9-beta-epoxy CAF-603
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: 3-O-methyl-5,6-epoxyfunicone
SMILES: O=C1C(OC)=C(OC2C1(O2)C(=O)C3=C(OC)C=C(OC)C=C3C(=O)OC)/C=C/C
Compound: 4-(Methylthio)canthin-6-one
SMILES: S(C=1C2=NC=CC3=C2N(C=4C=CC=CC34)C(C1)=O)C
Compound: (+)-(6S)-hydroxymenthol
SMILES: O[C@@H]1[C@@H](C(C)C)C[C@H](O)[C@@H](C1)C
Compound: 1-O-acetyl hygrophorone E12
SMILES: O=C([C@@]1(O)C(OC(=O)C)C=C[C@H]1O)CCCCCCCCCCCC
Compound: Cytochalasin Z21
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@]1(O)[C@@H](/C=C/C[C@@H]([C@@H](O)[C@H](O)C)C)[C@@H]4O[C@]4(C)[C@H]3C
Compound: Panglimycin C
SMILES: O=C1C2=C(C(O)=CC=C2)[C@@H](O)[C@@]3([C@H]1C=4C(=O)C[C@H](C)CC4CC3)O
Compound: 11beta-acetoxyisoaustinone
SMILES: O=C1OC([C@]2(C(=C3[C@@]([C@@]45C(=O)O[C@H]([C@]4(O)C([C@]([C@@H]3OC(=O)C)(C)C5=C)=O)C)(C)CC2)C)C=C1)(C)C
Compound: Chlovalicin
SMILES: ClC[C@]1(O)[C@@](O)([C@@]2(O[C@H]2CC=C(C)C)C)[C@H](OC)C(=O)CC1
Compound: Palmitoyl velutinal
SMILES: O=C(O[C@H]1OC[C@@]23[C@]14[C@]([C@H]5CC(C)(C)C[C@H]5[C@@H]2O3)(C)C4)CCCCCCCCCCCCCCC
Compound: Chrestoxanthone A
SMILES: O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C([C@H](OC)CC[C@@H]6O)OC5C7=C4[C@H](OCO7)CC3C2)C
Compound: Streptenol E
SMILES: O=C(C[C@@H](O)CCNC(=O)C)CC/C=C/C
Compound: (R)-(E,E)-2-(1,3-pentadienyl)piperidine
SMILES: N1[C@@H](/C=C/C=C/C)CCCC1
Compound: 10-Methylundecan-4-olide
SMILES: O=C1O[C@@H](CCCCCC(C)C)CC1
Compound: Fusacandin A
SMILES: O=C(O[C@H]1[C@H](O[C@@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O[C@@H]3O[C@@H]([C@H](O)[C@@H]([C@H]3O)O)CO)O)COC(=O)/C=C/C=C\CCCCC)[C@H](O[C@H]([C@@H]1O)C4=C(O)C=C(O)C=C4CO)CO)/C=C/C=C/CC(O)/C=C/C=C/CCCCC
Compound: Epothilone B10
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCC[C@@]3([C@H](C2)O3)C)C)C)(C)C)\C)CC
Compound: Phomolactonexanthone A
SMILES: O=C1C2=C(O[C@@](C1)([C@H]3OC(=O)C[C@@H]3C)COC(=O)C)C(C4=C(O)C=5C(O)=C6C(=O)C[C@@H](C)[C@H]([C@@]6(CO)OC5C=C4)OC(=O)C)=CC=C2O
Compound: Thelephantin L
SMILES: O=C(OC1=C(OC(=O)C2=CC=CC=C2)C(=C(OC(=O)C)C(=C1C3=CC=C(O)C=C3)OC(=O)C4=CC=CC=C4)C5=CC=C(O)C=C5)C6=CC=CC=C6
Compound: Microcyclamide GL614B
SMILES: S1C2=NC(=C1)C(=O)N[C@@H](C=3SC=C(N3)C(=O)N[C@H](C4=NC(C(N[C@H]2[C@H](CC)C)=O)=C(O4)C)C)CC5N(C(=O)NC5=O)C
Compound: 5,7-dihydroxy-6-(3-methylbut-2-enyl)isobenzofuran-1(3H)-one
SMILES: O=C1OCC=2C1=C(O)C(=C(O)C2)CC=C(C)C
Compound: Exumolide B
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)CCC2
Compound: Chloromycorrhizinol A
SMILES: ClC1=C(O)C2=C(OC(C)(C)[C@H](C2)O)C3=C1C(Cl)=C(C)O3
Compound: CB-182350
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)N)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)C(O)C(=O)O)=O)CC(=O)O)C)C)C
Compound: Beauveriolide VII
SMILES: O=C1OC(C(CCCC)C)CC(=O)N[C@@H](CC2=CC=CC=C2)C(N[C@H](C(N[C@@H]1C(C)C)=O)C)=O
Compound: 2-(1-methylethenyl)-5-(1-methylethyl)pyrazine
SMILES: N1=C(C(=C)C)C=NC(=C1)C(C)C
Compound: Nodulapeptin B
SMILES: S(=O)(CC[C@@H]1NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)[C@H](CC)C)CCCCNC(=O)[C@@H](NC([C@@H](N(C([C@@H](NC1=O)CCC2=CC=CC=C2)=O)C)CCC3=CC=C(O)C=C3)=O)COC(=O)C)C
Compound: Austalide O
SMILES: O=C1OCC=2C1=C(OC)C3=C(O[C@]4(C[C@@H](O)[C@@]56[C@@]([C@H]4[C@@H]3O)(CC[C@](O5)(OC)OC6(C)C)C)C)C2C
Compound: Tylopeptin A
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)CCC(=O)N)(C)C)CC(C)C)C)(C)C)CO)(C)C)C)CCC(=O)N)C)[C@](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC=1C2=C(C=CC=C2)NC1)C(C)C)(C)C)(CC)C
Compound: (-)-scleroderolide
SMILES: O=C1OC=2C=3C(C(C)=CC2O)=C4O[C@H](C(C4=C(C3C1=O)O)(C)C)C
Compound: Convolvulanic acid A
SMILES: O=C1O[C@H](O)C=2C1=C(OC)C(=CC2C(=O)O)C
Compound: Pestalotiopsone F
SMILES: O=C1C2=C(OC(=C1)CCCCC)C=C(O)C=C2CC(=O)OC
Compound: Hypomurocin A-5
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(CC)C)(C)C
Compound: Bouillomide A
SMILES: O=C/1N[C@@H]2C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(O[C@@H]([C@@H](C(N\C1=C/C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC)C)C(C)C)C)=O)C(C)C)CC3=CC=C(O)C=C3)C)CC4=CC=CC=C4)[C@H](O)CC2
Compound: Halomadurone A
SMILES: ClC(Cl)(Cl)C=1OC(=CC(C1)=O)/C=C/C(=C/CC)/C
Compound: Decarestrictine F
SMILES: O=C1O[C@@H](C[C@@H]2O[C@@H]2C=CC(C1)=O)C
Compound: 12-Acetoxy-13-epi-neoverrucosan-5-one
SMILES: BrC1=C(O)C=2C(=O)C([C@H]3CC[C@]([C@H]3C2C=C1C)(C(=O)COC(=O)C)C)(C)C
Compound: Gymnamide
SMILES: O=C(N)/C=C/C(=C/[C@@H](CCCCCC)C)/C
Compound: Xylobovide
SMILES: O=C1O[C@H]2[C@H](OC([C@H]2C1=C)=O)CC
Compound: Antrodin C
SMILES: O[C@@H]1C=C2[C@H]3[C@H](CC(C3)(C)C)[C@@H]([C@]2([C@@H]1C)C)O
Compound: Citrinolactone B
SMILES: O=C1OC2=C([C@@H](O)CC2)C=3C1=C(O)C=C(C)C3
Compound: 4-hydroxylamino-2,6-dinitrotoluene
SMILES: Cc1c(cc(NO)cc1[N+]([O-])=O)[N+]([O-])=O
Compound: MS-347a
SMILES: O=C1C2=C(OC3=C1C4(OC4C=C3)C(=O)OC)C=C(CO)C=C2O
Compound: Sporolide B
SMILES: ClC1=C2C3=CC(=C1)[C@@H](O)COC(=O)[C@H](OC)[C@]45[C@H]([C@@]6(O[C@]37[C@H](O)C[C@H]([C@@]7([C@@H]2O)OC6=C(C4=O)C)O)O)O5
Compound: Talaroenamine D
SMILES: O=C1C(=NCC2=C(C=CC=C2)C=O)C(=CC([C@]1(O)C)=O)C
Compound: Fusarielin B
SMILES: O1[C@@]2([C@@H](/C(=C/C)/C)[C@@H](/C=C/C=C(/[C@@H](O)[C@H](CO)C)\C)[C@H]3[C@H]([C@H]12)C[C@](O)(C)[C@@H](C3)O)C
Compound: Citreamicin theta A
SMILES: O=C1N2[C@](OC([C@@]2(CO)C)=O)(CC=3C1=C(O)C=4C5=C6OC7=C(C(O)=C(OC)C=C7)C(C6=C(O)C(=C5CCC4C3)O)=O)C
Compound: Asperdurin
SMILES: O=C1O[C@H](O)C=2C1=C(OC)C(=C(O)C2CC=C(C)C)C
Compound: 5-butyl-6-(hydroxymethyl)-4-methoxy-2H-pyran-2-one
SMILES: O=C1OC(=C(CCCC)C(=C1)OC)CO
Compound: Colletofragarone A1
SMILES: O=C1OC(CC(O)CC([C@H]2[C@H]3C1=C(O[C@H]3C=CC2=O)/C=C/C=C\C=C\C)O)C
Compound: 1-amino-11,15-dimethylheptadeca-2,4,5,13,14-pentol
SMILES: OC(C(O)CC(CCCCCC(O)C(O)CC(O)CN)C)C(CC)C
Compound: Variecolorin B
SMILES: Cl[C@@H](C(O)(C)C)CC1=CC2=C(NC(=C2/C=C/3\NC(=O)[C@H](C)NC3=O)C(C=C)(C)C)C=C1
Compound: 3-((1,3-benzodioxol-5-yl)methyl)-6-isobutyl-2,5-diketopiperazine
SMILES: O=C1N[C@@H](C(=O)N[C@@H]1CC2=CC=3OCOC3C=C2)CC(C)C
Compound: 30-oxo-28-N-methylikarugamycin
SMILES: O=C1NCCC[C@@H]2N(C(=O)C(C2=O)=C(O)C=C[C@H]3[C@H](CC=C1)[C@H]4C=C[C@H]5[C@H](C(=O)C)[C@@H](C[C@@H]5[C@H]4C3)C)C
Compound: Nodulisporic acid C
SMILES: O=C(O)/C(=C/C=C/[C@@]1([C@@H](O)CC[C@]2([C@H]1CC[C@@H]3[C@@]2(C=4NC=5C(=C6[C@@H](O)[C@@H]7C(OC(C=C7C6=CC5C4C3)(C)C)(C)C)CC=C(C)C)C)C)C)/C
Compound: Lairdinol A
SMILES: O[C@@]1([C@@H]2[C@@]([C@@H](O)CC1)(CC[C@@H](C2)C(=C)C)C)C
Compound: BE-43472B
SMILES: O=C1C2=C(O)C=C(C)C=C2C(=O)C3=C1C=4O[C@]56O[C@@H](C)[C@]7([C@]6(C4C=C3)C(=C(O)C8=C5C=CC=C8O)C(=O)C[C@]7(O)C)O
Compound: methyl lucidenate Q
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)[C@@H](CCC(=O)OC)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: Phenaziterpene B
SMILES: O(C=1C2=NC=3C(=C(OC)C=CC3)N=C2C=CC1)C/C=C(/CCC=C(C)C)\C
Compound: Astronyquinone
SMILES: O=C1C=2O[C@]3(OC[C@@H]([C@H]3CC2C(=O)C4=C1C=C(O)C=C4O)/C=C/C)C
Compound: Deliquinone
SMILES: O=C1C(=C(C(=O)C2=C1C[C@@](CO)(C)C2)C)CCO
Compound: Fomefficinol A
SMILES: O=C1O[C@]2(OC[C@@]34[C@](C5=C([C@@]6([C@H](C([C@H](O)CC6)(C)C)CC5)C)C[C@@H]3O)(CC[C@@H]4[C@@H](C2)C)C)[C@H]([C@@H]1C)C
Compound: Apicidin B
SMILES: O=C1N2[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1C(CC)C)=O)CC=3C4=C(C=CC=C4)N(C3)OC)CCCCCC(=O)CC)CCC2
Compound: Merulin C
SMILES: O=C1[C@]2(OOC3C(O)(CO)CC[C@]2(C(C)(C)CC1)C3)C
Compound: 1-O-acetyl hygrophorone E10
SMILES: O=C([C@@]1(O)C(OC(=O)C)C=C[C@H]1O)CCCCCCCCCC
Compound: Roridin J
SMILES: O=C1OC[C@@]23[C@@]4(C5(OC5)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=CC6OC(C(C(=C1)C)O)OC6C)C
Compound: Circumdatin C
SMILES: O=C1N[C@H](C2=NC=3C=CC=CC3C(N2C4=C1C=C(O)C=C4)=O)C
Compound: (1R,3S,9S,23S,24R,33R)-23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.11,4.12,24.112,16.118,22.03,9]tritriaconta-4,7,12(32),13,15,18,20,22(31)-octaene-11,28,30-trione
SMILES: S1S[C@]23N(C)C([C@@]4(S1)N([C@@H]5[C@@H](OC(=O)C=6C=CC(=C(OC=7C=C([C@@H]2O)C=CC7OC)C6)OC)C=COC=C5[C@H]4O)C3=O)=O
Compound: Aniquinazoline D
SMILES: O=C1N(C=NC2=C1C=CC=C2)[C@H]3C(=O)N4[C@H]5N(C([C@@H]4C(C)C)=O)C6=C([C@]5(C3)O)C=CC=C6
Compound: Tricycloalternarene 9b
SMILES: O=C1C2=C(OC3(CCC(C3C2)/C(=C\CC=C(C)C)/C)C)CCC1O
Compound: 3-(3-hydroxy-4-methoxybenzyl)-6-isobutyl-2,5-diketopiperazine
SMILES: O=C1N[C@@H](C(=O)N[C@@H]1CC2=CC(O)=C(OC)C=C2)CC(C)C
Compound: Penicillivinacine
SMILES: O=C1N2C(O[C@H](C=CC)[C@@H]3[C@H]2[C@H](CCC3)C)(O)C(=O)NC1=CC4=CC=CC=C4
Compound: Epi-aszonalenin C
SMILES: O=C1N2C3NC=4C=CC=CC4[C@@]3(C(C=C)(C)C)C[C@H]2C(=O)NC5=C1C=CC=C5
Compound: (-)-musanahol
SMILES: O1[C@H](/C=C(/C=C)\CC[C@H]2OC[C@H]([C@@H]2O)/C=C/C=C/C)[C@@H](O)[C@@H](C1)/C=C/C=C/C
Compound: 2,3-didehydrotelfairic anhydride [1′E,3′E)-2-(4-carboxyhexa-1,3-dienyl)-3 methylmaleic anhydride
SMILES: O=C1OC(=O)C(=C1/C=C/C=C(/C(=O)O)\CC)C
Compound: Hygrocin C
SMILES: O=C1O[C@H](C=C[C@H](CCC(=O)C=2C3=C([C@@]4([C@@H](C=C1C)C(=O)NC4=CC3=O)O)C=C(C)C2O)CC)C(O)C
Compound: Phomaligol A1
SMILES: O=C1C=C(OC)[C@@](O)(C)C([C@@]1(OC(=O)C(CC)C)C)=O
Compound: Palmarumycin P2
SMILES: O=C1[C@H]2[C@@H](O)C=C[C@H]3[C@H]2C4(OC=5C=6C(C=CC5)=CC=CC6O4)[C@@H](C1)O3
Compound: Cohaerin D
SMILES: O=C1C=C2C(=COC(=C2)C=3C(=O)CC(O)CC3C)C=4[C@]1(OC(=O)C4C(=O)C(CCCCCC)C)C
Compound: 3-Hydroxyphthalic acid
SMILES: O=C(O)C1=C(O)C=CC=C1C(=O)O
Compound: Lambertellol C
SMILES: O=C1C2=C(C(O)=CC=C2)C(=O)C[C@@]13OC(=O)C(=C3)C
Compound: Micropeptin LH920
SMILES: O=C1O[C@@H]([C@H](NC(=O)CNC(=O)CCCCC)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCC(=O)N)C
Compound: Fluostatin J
SMILES: O=C1C2=C(C=3C(=O)C=4C=CC=C(C4C3C(=C2)O)O)[C@@H](OC(=O)C(CC)C)[C@H]5[C@@]1(O5)C
Compound: Deoxyparguerol
SMILES: BrC([C@@]1(CC=C2[C@@]3([C@H]([C@@]4(O)[C@H](CC4)[C@H](C3)OC(=O)C)C[C@@H]([C@H]2C1)O)C)C)CO
Compound: Maridomycin IV
SMILES: O=C1OC(CC2OC2C=CC(O)C(CC(C(C(C(C1)OC(=O)C)OC)OC3OC(C(OC4OC(C(OC(=O)CC)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: U-77863
SMILES: O=C(N)/C=C/C1=C(C=CC=C1)C
Compound: Guineamide D
SMILES: O=C1O[C@H](C(=O)N([C@@H](C(=O)NCC(=O)NC(C(C(O[C@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)C)CCC)CC2=CC=C(OC)C=C2)C)C(C)C
Compound: Fimsbactin A
SMILES: O=C(OC[C@H](NC(=O)[C@H]1N=C(C2=C(O)C(O)=CC=C2)OC1)C(=O)NCCCCN(O)C(=O)C)C3=C(O)C(O)=CC=C3
Compound: Kodaistatin C
SMILES: O=C1O/C(=C\C2=CC(O)=C(O)C=C2)/C(=C1C3=C(C4=C(C(=O)C(C4(O)C(=O)C)O)CC(=O)/C=C/C(=C/C(CC)C)/C)C=C(O)C(=C3)O)O
Compound: Pteratide I
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=CC=CC=C2)C(=O)N([C@H](C(=O)N([C@H](C(=O)N3[C@@H](C[C@H](C3)C)C(N([C@H](C(N[C@H](C(N([C@H](C(N([C@H]1C(C)C)C)=O)C(C)C)C)=O)CC4=CC=CC=C4)=O)C)C)=O)C)C)CC(C)C)C)C
Compound: Roseocardin
SMILES: O=C1N([C@H](C(=O)NCCC(=O)O[C@H](CC(C)C)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)[C@H](CC)C)=O)[C@H](CC2)C)=O)C)C
Compound: Podocarpiamide
SMILES: O=C(O)N(C1=C(N(C(=O)O)CCOC(=O)C)C=CC=C1)CC(=O)OC
Compound: Cochliodone E
SMILES: O=C1C(C2=C3C(C(=O)[C@](C2=O)(OC(=O)C)C)=COC(=C3)CCCC(O)C)=C4C(=COC(=C4)CCCC(O)C)C([C@@]1(OC(=O)C)C)=O
Compound: Salfredin B aldehyde hemiacetal
SMILES: O=C1O[C@H](O)C=2C1=C(O)C3=C(OC(C)(C)C=C3)C2
Compound: Anabaenopeptin I
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)CC(C)C)C)C
Compound: Haplofungin G
SMILES: O=C(OC)C(O)C(O)C(OC(=O)C(C(=O)/C(=C/C(CC(CCCCC(O)CCCCCCCCC)C)C)/C)C)CO
Compound: Isaridin F
SMILES: O=C1N(C(C(=O)NCCC(=O)OC(CC(C)C)C(N2C(C(NC(C(N(C1C(C)C)C)=O)CC3=CC=CC=C3)=O)CCC2)=O)CC)C
Compound: Phellibaumin B
SMILES: O=C1OC(=CC2=C1C3=C(C=C(O)C(=C3)O)[C@@H](O2)CC(=O)O)/C=C/C4=CC(O)=C(O)C=C4
Compound: Aeruginoguanidine 98-C
SMILES: S(=O)(=O)(OC1=C(C=C([C@@H](OS(=O)(=O)O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC)CCCNC(=NC/C=C(\CCC(O)C(=C)C)/C)N)C)CCCNC(=NCC=C(C)C)N)C)C=C1)COS(=O)(=O)O)O
Compound: Prenisatin
SMILES: O=C1NC=2C=CC(=CC2C1=O)CC=C(C)C
Compound: Asterobactin B
SMILES: O=C(OCC(O)C(=O)NC(C(=O)OC(C(C(=O)NC(C(=O)NO)CCCN(O)C(=N)N)C)CCCCCCCCC)CCCN(O)C=O)C1=C(O)C=CC=C1
Compound: Homorapamycin C
SMILES: O=C1N2[C@H](C(=O)O[C@@H](C(CC3C[C@@H](OC)[C@H](O)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@@H]4O[C@](C1=O)(O)[C@@H](CC4)C)OC)C)C)C)CC)CCCC2
Compound: 4-hydroxymethylsalicylaldehyde
SMILES: [H]C(=O)c1ccc(CO)cc1O
Compound: Erinacerin M
SMILES: O=C1C(C(=O)C)=CN2[C@H](C(=O)OCC2=C1)C(C)C
Compound: Macrolactin T
SMILES: O=C1OC(CC[C@@H](O)C=CC=C[C@H](O)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O)C
Compound: YM-215343
SMILES: O=C1NC=C(C2(O)C3OC3C(=O)CC2)C(=C1C(=O)[C@@H]4[C@@H]5[C@@H](C=C[C@@H]4C)C[C@@H](C)CC5)O
Compound: Phenalinolactone C
SMILES: O=C1OC(O)C(=C1O)[C@@H]2C(=CC[C@@H]3[C@]2(CC[C@H]4[C@]3([C@@H](O)C[C@@H](OC(=O)C)C4(COC(=O)C=5NC(COC)=CC5)CO[C@@H]6O[C@H]([C@H](OC)CC6)C)C)C)C
Compound: Asperparaline B
SMILES: O=C1N([C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)NC(C4)=O)C[C@]15N(CC[C@@H]5C)C3)C
Compound: Isoaltenuene
SMILES: O=C1O[C@@]2(C(=C[C@@H](O)[C@@H](C2)O)C=3C1=C(O)C=C(OC)C3)C
Compound: Lasiolactone
SMILES: O=C1O[C@@H](CC=C1)CCC
Compound: Pestalasin E
SMILES: O=C1OC2=C(OC)C=C(O)C=C2C=C1CO
Compound: Phomosine G
SMILES: O=C(OC)C1=C(O)C(=C2OCC3=C(OC2=C1C)C=C(C)C=C3O)C
Compound: Chrysoqueen
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(O)C3(C1(O)[C@H]4OC(=O)O[C@@H]4[C@@](C3)(O)C)O
Compound: 4-hydroxymethylsalicylic acid
SMILES: OCc1ccc(C(O)=O)c(O)c1
Compound: 1-methoxy-9-propyltetracene-6,11-dione
SMILES: O=C1C=2C(C(=O)C3=C1C=C(CCC)C=C3)=CC4=C(OC)C=CC=C4C2
Compound: Bionectin C
SMILES: S([C@]12N(C(=O)[C@H](SC)N(C1=O)C)[C@H]3NC=4C=CC=CC4[C@]3([C@@H]2O)C=5C6=C(C=CC=C6)NC5)C
Compound: Oxalicumone C
SMILES: O=C1C2=C(OC(=C1[C@H](O)C(=O)OC)CCC(=O)OC)C=C(C)C=C2O
Compound: Ustilaginoidin K
SMILES: O=C1C(C=2C(=O)C=C(O)C=3C2C=C4OC(C)=C(C(=C4C3O)O)C)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O
Compound: Cottoquinazoline F
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@H]4O[C@@]5(C[C@H]2C(=O)N4C)C6=C(C=CC=C6)N7[C@@H]5N[C@@H](C)C7=O
Compound: Ergonornorine
SMILES: O=C1N2[C@H]([C@@]3(O[C@](C(N3[C@H]1CCC)=O)(NC(=O)[C@@H]4C=C5C6=C7C(NC=C7C[C@H]5N(C4)C)=CC=C6)CCC)O)CCC2
Compound: Ganodernoid B
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)[C@@H](C(=O)O)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: Cystomanamide A
SMILES: O=C(O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C[C@H](N)CCCCCC(C)C)CC(=O)N)[C@@H](O)C(=O)N)[C@@H](O)C1=CC=CC=C1
Compound: Guignarenone C
SMILES: O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(=C)C)C)[C@H](O)C[C@@H]1OC
Compound: N-butyropyrrothine
SMILES: S1SC=C2C1=C(NC(=O)CCC)C(=O)N2C
Compound: Alternariol 2,4-dimethyl ether
SMILES: O=C1OC2=C(C(=CC(=C2)O)C)C=3C1=C(OC)C=C(OC)C3
Compound: 15alpha-methoxy-O-methyldihydrobotrydial
SMILES: O=C(O[C@@H]1[C@@H]2[C@@]3(O)[C@]([C@H](O[C@@H]([C@H]3[C@@H](C1)C)OC)OC)(C)CC2(C)C)C
Compound: Solphenazine D
SMILES: O=C(O[C@@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)O)C)C=2C3=NC=4C(=C(O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O)C)C=CC4)N=C3C=CC2
Compound: UCF-116-B
SMILES: O=C1NC2=C(O)C(=CC(=C2)O)CCC=C([C@H](O)[C@@H](C)[C@H](CC=CC=CC=C[C@@H](C1)OC)OC(=O)[C@H](NC(=O)C3=CCCCC3)C)C
Compound: Xylarenol
SMILES: O=C1C2=C(O)C=CC=C2C3=C4[C@H](O)C[C@H](C=5C4=C(C3C1)C=CC5O)O
Compound: Pyramidamycin D
SMILES: O=C(N)C1=C(O)C(NC(=O)C)=C(OC)C=C1
Compound: 5(S)-[1-(1(S)-hydroxybut-2-enyl)]-furan-2-one
SMILES: O=C1O[C@H]([C@@H](O)/C=C/C)C=C1
Compound: L-671776-A
SMILES: O=CC1=C(C=C(O)C2=C1O[C@]3([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC[C@H]3C)C)C2)C=O
Compound: Botcinin A
SMILES: O=C1O[C@@H]2[C@@](O[C@@H](C)[C@@H]([C@H]2C)OC(=O)/C=C/[C@@H](O)CCCC)(C)[C@H]([C@H]1C)OC(=O)C
Compound: Pyrronamycin B
SMILES: O=C(NC1=CNC(=C1)C(=O)NC(C#N)CC(=O)NC(C=O)C/C=C/CN)C=2NC=C(C2)NC(=O)CN=C(NO)N
Compound: (2R,4bS,6aS,12bS,12cR,14aS)-2'-hydroxypaxilline
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4CC3)C)(CC[C@@H]2O[C@@H]1C(O)(CO)C)C
Compound: Desmethylisaridin G
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCC(O[C@H](C(N2[C@H](C(N[C@H]1CC3=CC=C(O)C=C3)=O)CCC2)=O)CC(C)C)=O)CC(C)C)C(C)C)C
Compound: [(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-[(E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxypropoxy]propyl]-trimethylazanium
SMILES: O=C(OC[C@@H](O)COCC[C@H]([N+](C)(C)C)C(=O)O)C(C(=O)/C(=C/CCCCCCCCCCC)/C)(C)C
Compound: Pulveraven A
SMILES: O=C1O/C(=C\C2=CC=CC=C2)/C(=C1[C@@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)C(=O)OC)O
Compound: Luteoride C
SMILES: O=C(OC)/C(=N\O)/CC=1C2=C(C(=CC=C2)/C=C/[C@@](O)(CO)C)NC1
Compound: Apiosporic acid
SMILES: O=C(O)[C@H]1[C@H]2[C@H](C=C[C@H]1C)C[C@H](CO)CC2
Compound: C-73X1
SMILES: O=C1NC(=O)C[C@H](C1O)CC(=O)C2=C(O)C(=CC(=C2)C)C
Compound: Fumiquinone A
SMILES: O=C1C(OC)=C(O)C(=O)C(=C1CCOC(=O)C)C
Compound: Chrolactomycin
SMILES: O=C1C(=C)[C@@H]2O[C@@H]3[C@@]1(OC)C(=O)O[C@@]34[C@H](C=C(C(=O)O)[C@H](C4)C)CCC[C@H](C[C@H]2C)C
Compound: Chrysamide B
SMILES: O=[N+]([O-])C1=CC=C([C@H]2O[C@@]2(C(=O)N3[C@@H](CN(C(=O)[C@]4(O[C@@H]4C5=CC=C([N+](=O)[O-])C=C5)C)[C@@H](C3)C)C)C)C=C1
Compound: Falconensin G
SMILES: O=C1C=C2C=C(OC[C@H]2[C@@H]([C@]1(OC(=O)C3=C(OC)C=C(OC)C=C3C)C)OC(=O)C)/C=C/C
Compound: Methylinoscavin A
SMILES: O=C1OC(=CC2=C1C3(OC(C)=CC3=O)C(C4=CC(O)=C(O)C=C4)O2)/C=C/C5=CC(OC)=C(O)C=C5
Compound: (2E,10Z,13Z)-2-[(6Z,9Z)-pentadeca-6,9-dienyl]nonadeca-2,10,13-trienal
SMILES: O=C/C(=C/CCCCCC/C=C\C/C=C\CCCCC)/CCCCC/C=C\C/C=C\CCCCC
Compound: (3R,4S)-3,7-dimethyl-1,6-octadiene-3,4-diol
SMILES: O[C@](C=C)([C@@H](O)CC=C(C)C)C
Compound: Stagonolide G
SMILES: O=C1O[C@H]([C@@H](O)C=CC[C@@H](CC1)O)C
Compound: Cyclo-(D-Leu-L-Trp)
SMILES: O=C1N[C@@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2)CC(C)C
Compound: Usimine B
SMILES: O=C1C(=C(O)C=C2[C@]1(C3=C(O)C(=C(O)C(=C3O2)C(=O)C)C)C)/C(=N/[C@H](C(=O)O)CCC(=O)O)/C
Compound: Phellodonin
SMILES: O=C1N(OC)C(=C(O)[N@+]2([C@@]1(OC3=C(C=CC(=C3)C4=C(OC(=O)C)C(OC(=O)C)=C(C5=CC=C(O)C=C5)C(=C4OC(=O)C)OC(=O)C)O2)[C@H](CC)C)[O-])[C@H](CC)C
Compound: Arylomycin A5
SMILES: O=C1N[C@H](C(=O)NC(C(=O)O)CC=2C=CC(=C(C=3C=C(C1N(C(=O)CNC(=O)[C@H](NC(=O)[C@H](N(C(=O)CCCCCCCCCCC(C)C)C)CO)C)C)C=CC3O)C2)O)C
Compound: Okaramine N
SMILES: O=C1N2[C@H]3N(C=4C=CC=CC4[C@@]3(O)C[C@H]2C(=O)N5[C@H]1CC=6C7=C(C=CC=C7)NC6C(C=C5)(C)C)C(C=C)(C)C
Compound: Adipostatin B
SMILES: OC1=CC(O)=CC(=C1)CCCCCCCCCCCCC(C)C
Compound: Limamycin B
SMILES: O=C1C2=C3N([C@@H](O)C4=C3C=CC=C4OC)C=5C2=C(C=C(C)C5)C=C1
Compound: Scalpturan
SMILES: O=C1C2=C(O)C(OC)=CC=C2CO[C@@]1(O)C
Compound: Proansamycin B
SMILES: O=C1NC=2C(=O)C3=C(C(C(=O)C(=C[C@@H]([C@H](O)[C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C1C)C)O)C)O)C)O)C)C)C)=C(O)C(=C3)C)C(C2)=O
Compound: Citreohybridone C
SMILES: O=C1O[C@H]2C[C@]3(C([C@]14C2C([C@@H](O)CC4)(C)C)C=C([C@]5(C(=O)C(=C([C@@]35C(=O)OC)OC)C)C)C)C
Compound: Coryoctalactone B
SMILES: O=C1OC(CC(=O)C2=C(C1)C=C(O)C=C2O)C[C@H](O)C
Compound: FD-891
SMILES: O=C1O[C@H]([C@H](CCC(O)C(C(O)C(C(OC)C)C)C)C)CC=CC=CC[C@@H](O)[C@@H]2[C@@H]([C@@H]([C@@H](C=C(C=C1C)C)C)O)O2
Compound: Pinophilin A
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: 1-hydroxy-4-(3,5-dimethyl-4-hydroxyphenyl)pentan-3-one
SMILES: O=C([C@@H](C1=CC(=C(O)C(=C1)C)C)C)CCO
Compound: Chromomycin SA3
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O[C@H]5O[C@@H]([C@H](OC)[C@@H](C5)O)C)C)C=C3C=C2C[C@H]([C@@H]1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O)[C@](C8)(O)C)C)C)C)[C@H](OC)C(=O)O)C
Compound: N-Tetradecenoyl-L-homoserine lactone
SMILES: O=C1OCC[C@@H]1NC(=O)CCCCC/C=C\CCCCCC
Compound: K-252c
SMILES: O=C1NCC=2C1=C3C(NC4=C3C=CC=C4)=C5NC6=C(C25)C=CC=C6
Compound: Desacetoxy-zaragozic acid C
SMILES: O=C(O)C1(O)C2(OC(CCCCC(CC3=CC=CC=C3)C)(OC1C(=O)O)[C@@H]([C@H]2OC(=O)CC/C=C/C(CCCC4=CC=CC=C4)C)O)C(=O)O
Compound: Maremycin D1
SMILES: O=C1N[C@H](C(=O)NC1=C)[C@H]([C@@]2(O)C(=O)N(C)C3=C2C=CC=C3)C
Compound: Chondrosterin H
SMILES: ClC(C#CC#CC#CC)C(O)CO
Compound: 4-O-Acetyl hygrophorone D12
SMILES: O=C1C=C[C@H]([C@@]1(O)C(=O)CCCCCCCCCCCC)OC(=O)C
Compound: Vaccinol B
SMILES: O1[C@@H]2O[C@H]([C@H]1C=CC3=C2C(O)=CC=C3CC=C(C)C)C
Compound: (3S,6S)-dec-4-yne-1,3,6-triol
SMILES: O[C@H](C#C[C@@H](O)CCCC)CCO
Compound: Sarcodonin G
SMILES: O=C1[C@@]2([C@H](C3=C([C@H](CO)C)CC[C@@]3(C)CC2)CC=C(C1)C=O)C
Compound: Isohispidine
SMILES: O=C1C=C(OC(=C1)/C=C/C2=CC(O)=C(O)C=C2)O
Compound: Neofusapyrone
SMILES: O=C1OC(=CC(=C1[C@@H]2O[C@@H](C[C@@H]([C@H]2O)O)CO)O)C(C(O)/C=C/C(=C/C(/C=C(\CC(CCCCCC)C)/C)CO)/C)(C)C
Compound: Spiruchostatin A
SMILES: S1SCCC=CC2OC(=O)CC(C(NC([C@@H](C1)NC(=O)[C@H](NC(=O)C2)C)=O)C(C)C)O
Compound: Streptophenazine C
SMILES: O=C(O)C=1C2=NC=3C(=C(C=CC3)C(C(=O)OC)C(O)CCCC(C)C)N=C2C=CC1
Compound: Mabetaetolide D
SMILES: O=C1OC([C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C[C@@H](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]1CC(C)C)=O)CO)=O)CC(C)C)=O)CO)CC(C)C)C(CC)C)C
Compound: Pestalafuranone I
SMILES: O=C1OCC(=C1C=CC)C(O)C(O)CC
Compound: Cytosporolide B
SMILES: O=C1OO[C@@]2([C@H]([C@@H](O)C=C(CO)[C@@H]3[C@](CC2)(O)C(C3)(C)C)[C@@H]4C5=C(C1=C(O)C=C5C[C@@H](CCCCCC)O4)C)C
Compound: Epicoccin L
SMILES: S([C@@]12N(C(=O)[C@]3(SC)C[C@H]4[C@H](N3C1=O)[C@@H](O)CC[C@@H]4O)[C@@H]5[C@@H](O)CCC([C@@H]5C2)=O)C
Compound: Lipocarbazole A2
SMILES: OC1=C(C(=C2NC3=C(C2=C1)C=CC=C3)CCCCCCC/C=C\C/C=C\CCCCC)C
Compound: BAY-o-6997
SMILES: O=C[C@@H](N)CC=1NC=NC1
Compound: Monascuskaochroman
SMILES: O=C(N)[C@@]1(C2=C(OCC1)C=CC=C2)C(O)(C)C
Compound: Ananstrep B
SMILES: O[C@]12C(=C[C@@H](O)[C@@]3([C@@]1(CC[C@@H](C3)O)C)O)[C@H]4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(O)(C)C)C)C)CC4)(C)CC2
Compound: Sargabetaopenilline C
SMILES: O=C1C2=C(C(OC(=O)C)[C@]3(O[C@H](C[C@@H]([C@@H]3OC(=O)C)O)C)OC2)CC(C1(OC(=O)C)C)=O
Compound: 4-Hydroxymethylquinoline
SMILES: OCC=1C=2C(N=CC1)=CC=CC2
Compound: Punctatin D
SMILES: O[C@]12C(C[C@@H]1[C@]3(C=C[C@@H]([C@@]3(C)CC2)O)CO)(C)C
Compound: Lanosta-8,24-dien-3beta,23-diol
SMILES: O[C@@H]1C(C2[C@](C3=C([C@]4([C@](C(CCC(O)C=C(C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Palmarumycin B4
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14[C@@]56O[C@]5([C@@H](O)[C@@H]([C@H]4O)O)[C@@H](O)CC[C@H]6O
Compound: Decaturin C
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@]4(C(=CC[C@H]5[C@]4(CC[C@@H]6[C@@]57CO[C@@](C6(C)C)(O)CC7)C)C)O3
Compound: Memnopeptide A
SMILES: S(=O)(CCC(N1C(=O)C=2C=C(O)C3=C(C2C1)O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)C3)C(=O)NC(C(=O)NC(C(=O)N6C(C(=O)NC(C(=O)NC(C(=O)N7C(C(=O)NC(C(=O)N8C(C(=O)N9C(C(=O)O)CCC9)CCC8)CC(C)C)CCC7)CCC(=O)N)CC=%10NC=NC%10)CCC6)CCC(=O)N)CC=%11NC=NC%11)C
Compound: Biselyngbyaside C
SMILES: O=C1O[C@@H](/C=C(\C/C=C/C)/C)C[C@@H]2OO[C@@H](C[C@H](C)C=C([C@H](CC=C[C@H](C1)O[C@@H]3O[C@H](OC)[C@@H](O)[C@@H]([C@H]3O)OC)OC)C)C=C2
Compound: (3R,2'S)-myxol 2'-fucoside
SMILES: O1C(O[C@H](C(O)(C)C)CC/C(=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)CC2(C)C)C)\C)\C)/C)/C)/C)[C@@H](O)[C@H](O)[C@@H]([C@@H]1C)O
Compound: Pseudopyronine B
SMILES: O=C1C=C(CCCCCCC)O[C@@]1(O)CCCCCC
Compound: Propionicin T1
SMILES: SCC(NC(=O)CNC(=O)CNC(=O)C1N(C(=O)C(N)C(C)C)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CCCN=C(N)N)C(O)C)CC2=CC=C(O)C=C2)C(O)C
Compound: Eurochevalierine
SMILES: O=C(O[C@@H]1[C@]2(O)[C@H](C=C([C@H]1OC(=O)C)C)[C@H](C(=C)C)CC[C@H]2C)[C@@H](NC=O)CC(=O)C3=C(NC)C=CC=C3
Compound: 4-hydroxyphenyl-1-ONN-azoxyformamide
SMILES: O=C(/N=[N+](\[O-])/C1=CC=C(O)C=C1)N
Compound: Yaequinolone F
SMILES: O=C1NC2=C(C(O)=C(/C=C/C3(OC(C(=C)C)CC3)C)C=C2)[C@]([C@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: DKxanthene 544
SMILES: O=C(NC(C(=O)O)CC(=O)N)/C(=C/C=C/C=C/C=C/C=C/C=C/C(=C/[C@H]1N=C(/C=C/C=2NC=CC2)O[C@@H]1C)/C)/C
Compound: Mycemycin E
SMILES: ClC1=C(C=2OC3=C(C=C(Cl)C=C3)C(NC2C(=C1)C(=O)N)=O)C
Compound: Basiliskamide A
SMILES: O=C(O[C@H]([C@@H]([C@H](O)C/C=C/C=C\C(=O)N)C)[C@@H](CC)C)/C=C/C1=CC=CC=C1
Compound: MS-681d
SMILES: O=C(NC(C(=O)N[C@H](C(=O)N[C@](C(=O)NCC(=O)N[C@H](C(=O)N[C@](C(=O)N[C@H](CNCCCNCCCCN)CC1=CC=CC=C1)(CC)C)CC2=CC=CC=C2)(CC)C)C)(C)C)[C@@](NC(=O)[C@@H](NC(=O)C)CC3=CC=CC=C3)(CC)C
Compound: Lobarialide A
SMILES: O=C1O[C@@H]2C[C@]34[C@H]([C@]1([C@H]2O[C@@H]3O)C)CC[C@H]5C4=CC[C@]6([C@H]7[C@]([C@@H](C(C)C)CC7)(C)CC[C@]56C)C
Compound: 3-hydroxyl-(22E, 24R)-ergosta-5,8,22-trien-7,15-dione
SMILES: O=C1C2=C([C@]3(CC[C@@H](CC3=C1)O)C)CC[C@]4([C@H]2C(=O)C[C@@H]4[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Compound: Cytochalasin Z6
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3C=CC[C@H](C)CCC(CC=C1)O)O4)C)CC5=CC=CC=C5
Compound: Sterhirsutin B
SMILES: O=C1C=2O[C@@]3([C@H](CCC(=CCC(C=CC3)(C)C)C)CC2[C@@]4([C@H]1C[C@H]5C[C@@](C[C@@H]45)(C(=O)O)C)C)C
Compound: Pericoterpenoid A
SMILES: O=C(O)C1=CC=2C(=C(C=CC2C(C)C)CO)C=C1
Compound: 5-Hydroxy-3,4,7-triphenyl-2,6-benzofurandione
SMILES: O=C1C(=O)C(C2=CC=CC=C2)=C3C(C4=CC=CC=C4)=C(OC3=C1C5=CC=CC=C5)O
Compound: CB-182325
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)CC(=O)N)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)C(OC)C(=O)O)=O)CC(=O)O)C)C)C
Compound: Gibberellenic acid
SMILES: O=C(O)[C@@]1([C@@H](O)C=CC=2C1[C@H](C(=O)O)[C@@]34CC(=C)[C@](C3)(O)CCC24)C
Compound: Geralcin B
SMILES: O=C1OCC=C1CCC(=O)N(NC(=O)C)/C=C\CCCC
Compound: Malbrancheamide
SMILES: ClC1=C(Cl)C=C2C=3C[C@]45NC(=O)[C@@]6(C[C@H]4C(C3NC2=C1)(C)C)CCCN6C5
Compound: Corynether B
SMILES: O=C(OC)C1=C(OC2=C(O)C=C(O)C=C2C)C=C(O)C=C1C
Compound: Haliangicin
SMILES: O=C(OC)/C=C(/OC)\C(\OC)=C\C(=C/C=C(/C(CC1(OC1C=C)C)C)\C)\C
Compound: Penicillanthranin B
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(CO)C3)[C@H]4O[C@@H]([C@@H](C)C=5C4=C(O)C(=C(O)C5C)C(=O)O)C
Compound: delta6-coprinolone
SMILES: O=C1C(=C2[C@@](CC2)(C)[C@]34[C@@H]1C[C@](C)([C@@H]3O)CO4)C
Compound: Lajollamide A
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)CC(C)C)=O)CC(C)C)CC(C)C)CC(C)C)C
Compound: IC202D
SMILES: O=C(N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN)CCC(=O)NCCCCC=O
Compound: Saccharothrixone A
SMILES: O=C1C=C(OC)[C@@H](O)[C@]([C@H]1O)(O)[C@H]2OC(=O)C=3C2=CC4=CC(OC)=C(C(=C4C3O)C)C(=O)OC
Compound: Microsphaerin D
SMILES: O=C1C2=C(O)C3=C(C=C(C)C=C3O)O[C@]2(C4(O)C[C@H]1C5=C(O)C(=C(C)C(=C54)O)C(=O)C6=C(O)C=C(C)C=C6O)C
Compound: 2,2-dimethyl-6,7-dimethoxy-4-chromanone
SMILES: O=C1C2=C(OC(C1)(C)C)C=C(OC)C(=C2)OC
Compound: Hapalocyclamide
SMILES: S1C2=NC(=C1)C(=O)N[C@@H](C=3SC[C@@H](N3)C(=O)N[C@@H](C4=NC(C(N[C@H]2C)=O)=C(O4)C)C)CC5=CC=CC=C5
Compound: SY-1
SMILES: O=C(O)[C@@H]([C@@H]1O[C@H]([C@@H](C)CC1)[C@H]([C@H](O)[C@@H](C(=O)[C@@H]([C@H]2O[C@@]3(O[C@]4(O[C@@]([C@@H]5O[C@H]([C@@](O)(CC)CC5)C)(C)CC4)CC=C3)[C@H](C)C[C@@H]2C)CC)C)C)CC
Compound: Endophenazine B
SMILES: O=C1C=C2N(C3=C(C(C(=O)O)=CC=C3)N=C2C(=C1)CC=C(C)C)C
Compound: L-755807
SMILES: O=C1N[C@@](O)(C(C)C)[C@H]2[C@@]1(O2)C(=O)/C=C/C=C/C=C/C(=C/C(CC(CC)C)C)/C
Compound: SEK-1005
SMILES: O=C1OC(C(NC(=O)C(O)(C2(OC(C(CC(C)C)CC2)C)O)C)C(=O)N3NCCCC3C(=O)N(O)C(C)C(N(C(C(N4C(C(NC1CO)=O)CCCN4)=O)CC5=CC=CC=C5)C)=O)C(C)C
Compound: Aeruginosin GH553
SMILES: O=C(N)[C@@H]1N(C(=O)[C@H](NC(=O)[C@@H](O)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)[C@@H]4C[C@H](OC(=O)C)CC[C@@H]4C1
Compound: Pericosine D
SMILES: Cl[C@@H]1C(C(=O)OC)=C[C@@H](O)[C@H]([C@@H]1O)O
Compound: Decarestrictine K
SMILES: O=C1OC(CC=CC(CC(C1)=O)O)C
Compound: UK-78630
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)CC3)O[C@@H](C2)CC=C([C@H](OC(=O)C(C)C)[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)[C@H]5OC4)C)O)C)C
Compound: Altersolanol O
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C34C1(O3)[C@@H](O)[C@H](O)[C@@]([C@H]4O)(O)C
Compound: 9-hydroxy-1-(2,4,6-trihydroxyphenyl)-6Z,10E,12Z,15Z-octadecatetraen-1-one
SMILES: O=C(C1=C(O)C=C(O)C=C1O)CCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CC
Compound: Crocacin B
SMILES: O=C(N/C=C\C/C=C\C(=O)NCC(=O)O)/C=C(/C=C/[C@@H]([C@H](OC)[C@@H]([C@@H](OC)/C=C/C1=CC=CC=C1)C)C)\C
Compound: Cyclo(D-Pro-L-Tyr)
SMILES: O=C1N2[C@@H](C(=O)N[C@H]1CC3=CC=C(O)C=C3)CCC2
Compound: Asperdiazapinone C
SMILES: O=C1N[C@H](C(=O)NC2=C1C(=CC=C2O)CC=C(C)C)CC=3C4=C(C=C(O)C=C4)NC3
Compound: Nukacin ISK-1
SMILES: S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCSC)CCC(=O)O)CC(=O)N)CO)CCCCN)C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)CC(=O)O)CCCCN)C
Compound: 1-O-Benzoyl-alpha-L-rhamnopyranoside
SMILES: O=C(OC1OC(C(O)C(C1O)O)C)C2=CC=CC=C2
Compound: Herbarulide
SMILES: O=C1OC2=CC(=O)CC[C@]2(C)[C@@H]3C(=C1)[C@H]4[C@]([C@@H]([C@@H](/C=C/[C@H](C(C)C)C)C)CC4)(C)CC3
Compound: Panclicin D
SMILES: O=C1O[C@@H](C[C@@H](OC(=O)CNC=O)CCCCCCC)[C@@H]1CCCCCCCCCC
Compound: Miuraenamide B
SMILES: IC1=C(O)C=CC(=C1)CC2N(C(=O)C(NC(=O)CCCC=C(CCC(OC(\C(\NC2=O)=C(/OC)\C3=CC=CC=C3)=O)C)C)C)C
Compound: Mangrovamide C
SMILES: O=C1N[C@]23[C@H](C(C=4NC5=C(C4C2)C=CC6=C5C(=O)CC(O6)(C)C)(C)C)C[C@]17N(C[C@@H](C7)C)C3
Compound: Piceamycin N-acetylcysteine adduct
SMILES: S(C1C=CC=CC=CC=CC(CNC(C=CC=CC=CC2(C(C(C1)=O)=C(O)C(=O)C2)C)=O)C)C[C@H](NC(=O)C)C(=O)O
Compound: Tryptoquivaline R
SMILES: O=C1N(C=NC2=C1C=CC=C2)C(C(=O)OC)C[C@]3(O)C4=C(C=CC=C4)N5[C@H]3N(O)C(C)(C)C5=O
Compound: Cytosporin C
SMILES: O=CC1=C([C@H](O)[C@@H]2C3([C@@H]1OC([C@H](O)C3)(C)C)O2)CCCCC
Compound: Nomimicin
SMILES: O=C1O[C@]23[C@@](C=C(C)[C@@H](C2)CC)(CC=CC[C@H]4[C@@](C(=C1C3=O)O)([C@H]5[C@@H]([C@@H](O)[C@@H](C)[C@H](C5)O)C=C4)C)C
Compound: UK-78618
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)C[C@H]3O)O[C@@H](C2)CC=C([C@H](O)[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)[C@H]5OC4)C)O)C)C
Compound: Lanosta-8-en-7-oxo-3beta-acetyloxy-11beta,24,25,26-tetrahydroxy
SMILES: O=C1C2=C([C@]3(CC[C@@H](C([C@@H]3C1)(C)C)OC(=O)C)C)[C@@H](O)C[C@]4([C@]2(CC[C@@H]4[C@@H](CCC(O)C(O)(CO)C)C)C)C
Compound: Pestaphthalide A
SMILES: O=C1O[C@H]([C@@H](O)C)C=2C1=C(O)C(=C(O)C2)C
Compound: Leptosin N1
SMILES: S1S[C@@]2(N(C)C([C@]3(S1)N([C@H]4NC=5C=CC=CC5C4([C@H]3O)[C@]67C8=C(C=CC=C8)N[C@H]6N9C(=O)[C@H](CO)N(C([C@]9([C@@H]7O)OC)=O)C)C2=O)=O)C(C)C
Compound: Kidamycin
SMILES: O=C1C2=C(O)C(=CC(=C2C(=O)C=3C1=C4OC(/C(=C/C)/C)=CC(C4=C(C)C3)=O)C5O[C@@H]([C@@H](O)[C@@H](C5)N(C)C)C)C6O[C@H]([C@@H](O)[C@](C6)(N(C)C)C)C
Compound: 1-(meta-hydroxyphenyl)-4-hydroxy-3-isoquinolone
SMILES: O=C1NC(=C2C=CC=CC2=C1O)C3=CC(O)=CC=C3
Compound: Laingolide B
SMILES: Cl/C=C\1/CC(C(C)(C)C)CC(=O)CC=CN(C(C(CCCC1)C)=O)C
Compound: Maculalactone C
SMILES: O=C1O/C(=C/C2=CC=CC=C2)/C(=C1CC3=CC=CC=C3)CC4=CC=CC=C4
Compound: Roseic acid
SMILES: O=C(O)/C(=C\C=C/[C@H]([C@@H]1[C@@]2([C@@]([C@H]3[C@@]([C@@H](C=4C(C)=COC4C3)CCC(=O)O)(C)CC2)(C)CC1)C)C)/C