MonarchInit/C3PO huggingface dataset:
Compound: (3R*,3aS*,4S*,8aR*)-3-(10-hydroxy-10-methylethyl)-5,8a-dimethyldecahydroazulen-4-ol
SMILES: OC([C@H]1[C@H]2[C@@](CCC[C@@H]([C@@H]2O)C)(C)CC1)(C)C
Compound: Satratoxin H 12'-acetate
SMILES: O=C1OC[C@@]23[C@@]4([C@]5(OC5)C(OC2C=C(C)CC3)C[C@H]4OC(=O)C=CC=CC6([C@@H](C(=C1)CCO6)OC(=O)C)C(O)C)C
Compound: Dendrodolide D
SMILES: O=C1O[C@@H](C[C@@H](O)CC(=O)CC=C[C@H](C1)O)C
Compound: Hanagokenol B
SMILES: O=C1OC[C@]2([C@H]1[C@@](C3=C(C(=O)O)C=C(C(C)C)C(=C3)O)(CCC2)C)C
Compound: Lyngbyazothrin B
SMILES: O=C/1N[C@H](C(=O)NC(C(=O)N2[C@H](C(=O)NC(C(O)C(=O)N[C@H](C(=O)NCC(N3[C@H](C(N4[C@H](C(N[C@@H](C(N[C@H](C(N\C1=C\C)=O)CO)=O)[C@H](CC)C)=O)CCC4)=O)CCC3)=O)CCC(=O)N)CC(O)CC(O)C(O)CC(C)C)CCC2)CCC5=CC=CC=C5)[C@H](O)C
Compound: [(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate
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(OC(=O)C(C)C)[C@H](C=CC=C4[C@]5(C1C=C([C@@H](O)[C@H]5OC4)C)O)C)C
Compound: 2-Demethylmonensin B
SMILES: O=C(O)C[C@H](OC)[C@@H]([C@H]1OC2(O[C@@]([C@@H]3O[C@@]([C@@H]4O[C@@H]([C@H]5O[C@](O)([C@H](C)C[C@@H]5C)CO)C[C@@H]4C)(C)CC3)(C)CC2)C[C@@H]([C@H]1C)O)C
Compound: Vibralactone J
SMILES: O=C1OCC(=C1)C[C@@H](C(=O)O)CC=C(C)C
Compound: Sterepolide
SMILES: O=C1C2=C(C[C@]34C(=O)O[C@@H]5[C@]4([C@H]2CO5)C3)CC1(C)C
Compound: (1S,2S,4S,5S,7R,10R)-guaiane-2,10,11,12-tetraol
SMILES: O[C@]1([C@H]2[C@H]([C@@H](C)C[C@@H]2O)C[C@@H](CC1)C(O)(CO)C)C
Compound: 6alpha-hydroxy-3-methoxy-4alpha-methyl-2-cyclohexen-1-one
SMILES: O=C1C=C(OC)[C@@H](C)C[C@H]1O
Compound: Xylariolide C
SMILES: O=C1O[C@](C(O)C(C(O)C)C)(C)[C@@H]([C@@H]1C)O
Compound: Epicoccin D
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]([C@H]1CC(=O)[C@@H]7C3)O
Compound: Isoquinocycline A
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C=C4[C@@H](OC5OC(C(O)(C(O)C)C(C5)O)C)[C@@]6(O[C@]7(C(C4=C3O)C6)NC8=NCCC8=C7)C
Compound: 3-(1',3'-pentadienyl)-3,4-dihydro-1H-2-benzopyran-4,8-diol
SMILES: O1C(/C=C/C=C/C)C(O)C=2C=CC=C(C2C1)O
Compound: Pladienolide D
SMILES: O=C1OC(/C(=C/C=C/C(O)(CC2OC2C(C(O)CC)C)C)/C)C(C=CC(OC(=O)C)C(CCC(C1)O)(O)C)C
Compound: Phlebiachrysoic acid A
SMILES: O=C1C(OC)=CC(=O)C(=C1CCCCCCC/C=C\CCC/C=C/C(=O)O)O
Compound: Pochonin B
SMILES: ClC1=C(O)C=C(O)C2=C1CC(=O)C=C[C@@H](O)C[C@@H]3[C@@H](C[C@H](OC2=O)C)O3
Compound: Beauveriolide IV
SMILES: O=C1OC(C(CCCC)C)CC(=O)N[C@@H](C(C)C)C(N[C@H](C(N[C@@H]1C(C)C)=O)C)=O
Compound: 5-chloro-2'-O-methylanziaic acid
SMILES: ClC1=C(O)C=C(O)C(=C1CCCCC)C(=O)OC2=CC(OC)=C(C(=O)O)C(=C2)CCCCC
Compound: F-16438 A
SMILES: O=C(O)C1=C(O)C=CC=C1CC(=O)CCCCCCCCCCCCCCCC(OC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@@H]2OC([C@@H](O)C(C2O)O)CO)CO)C
Compound: Cytospolide J
SMILES: O=C1O[C@@H]([C@@H](O)CCC=C[C@H]([C@H]1C)O)CCCCCOC(=O)C
Compound: Emindole SB beta-mannoside
SMILES: O1[C@@H](O[C@@H]2[C@]([C@H]3[C@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4CC3)C)(C)CC2)(CCC=C(C)C)C)[C@@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: 1,3,5,6-tetrahydroxy-8-methylxanthone
SMILES: O=C1C2=C(OC3=C1C(=CC(=C3O)O)C)C=C(O)C=C2O
Compound: 2,6-dihydroxy-3-methyl-9-oxoxanthene-8-carboxylic acid methyl ester
SMILES: O=C1C2=C(OC3=C1C=C(O)C(=C3)C)C=C(O)C=C2C(=O)OC
Compound: Dihydrosecofuscin
SMILES: O=C1O[C@H](C=2C(O)=C(O)C(=C(C2C1)CC=C(C)C)O)C
Compound: Agardhipeptin A
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(NCC(N[C@H]1CC=3C4=C(C=CC=C4)NC3)=O)=O)CC=5NC=NC5)=O)CC(C)C)CC=6C7=C(C=CC=C7)NC6)CCC2
Compound: Sch 484130
SMILES: O=C(OC1C(O)C(OC(C1O)COC(=O)C)OC(CCCCCCCCCC(=O)O)CCCCCCCCC)CC(=O)O
Compound: Trichoderone
SMILES: O=C1C=C(CC)[C@H]([C@@H]1O)O
Compound: Linoleoyl 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)CCCCCCC/C=C\C/C=C\CCCCC
Compound: Rubiginosin C
SMILES: O=C1C=2C(=CC([C@@]1(OC(=O)/C(=C/C=C/CCCCCCCCC)/C)C)=O)C=C(CC(O)C)OC2
Compound: Myrocin B
SMILES: O=C1C2=C[C@@](C=C)(CC([C@]2(O)[C@@]34[C@@H](CC[C@]5([C@@H]3[C@@]1(OC5=O)O)C)C4)=O)C
Compound: Agglomerin D
SMILES: O=C1OC(=C)C(=C1C(=O)CCCCC=CCCCCCCC)O
Compound: Ro09-1549
SMILES: O1C(/C(=C/C=C/C=C/CCC)/C)C(O)C(OC)CC1
Compound: A-503083 A
SMILES: O=C1NC(CCCC1NC(=O)C=2OC(OC(C(=O)N)C3OC(N4C(=O)NC(=O)C=C4)C(C3OC)OC(=O)N)C(O)C(C2)O)C
Compound: Creolophin E
SMILES: O=C1[C@@]2(O)[C@@]3(C(C(=O)[C@@H]4[C@]3(O4)C[C@H]2[C@@H]5[C@]1(O5)C)=C)C
Compound: Carneamide C
SMILES: O=C1N2[C@H](C(=O)N3[C@]1(CC=4C5=C(C=C6OC(C)(C)C=CC6=C5)NC4C(C=C3)(C)C)C)CCC2
Compound: 4,5-Dihydroxy-2-methyl-1-methylcyclopent-3-ene
SMILES: O[C@@H]1C(C(C)=C[C@H]1O)=C
Compound: Albaconol
SMILES: OC1=C(C(O)=CC(=C1)C)C[C@H]2[C@](O)(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C
Compound: Boletopsin C
SMILES: O=C(OC1=C(C(O)=C(O)C2=C1OC=3C=C(O)C(=CC23)O)C4=CC(O)=C(O)C=C4)C
Compound: Trichorozin-IV
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(CO)CC(C)C)CCC2)(C)C)CC(C)C)C(CC)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)CC(C)C)(C)C
Compound: (2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol
SMILES: O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCCCCC
Compound: F-10748 D2
SMILES: O=C(OC1C(OC2OC(C(O)C(C2O)O)COC(=O)CCCCC)C(OC(C1O)C3=C(O)C=C(O)C=C3CO)CO)/C=C/C=C/CC(O)C(CCC/C=C/C(CC)C)C
Compound: Simplicilliumtide E
SMILES: O=C(OC)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)C)[C@@H](CC)C)C)CC1=CC=C(O)C=C1)CC(C)C
Compound: Ganohainanic acid E
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@H]3C)=O)C)[C@@]4([C@H](O)C[C@@H]([C@]4(C1)C)[C@@H](CC(=O)CC(C(=O)O)C)C)C
Compound: Arundinone B
SMILES: O=C1C2=C(OC)C(OC)=C(O)C(=C2OC1(O)C)C3=C(O)C(OC)=C(OC)C4=C3OC(O)(C)C4=O
Compound: LL-Z1271gamma
SMILES: O=C1O[C@H](O)C2=C[C@H]3OC([C@@]4([C@H]3[C@@](C2=C1)(CCC4)C)C)=O
Compound: GE-3B
SMILES: O=C(N[C@H](C(=O)N1NCCC[C@@H]1C(=O)N(O)[C@H](C(=O)N([C@@H](C(=O)N2NCCC[C@H]2C(=O)N[C@@H](C(=O)O)[C@@H](O)C)CC(C)C)C)C)[C@@H](O)C(C)C)C(O)([C@@]3(O[C@H](/C(=C/[C@@H](C(=O)/C(=C/C)/C)C)/C)[C@@H](C)CC3)O)C
Compound: Nhatrangin A
SMILES: O=C(O)[C@@H]([C@H](OC(=O)C[C@@H](O)[C@H](O)C)[C@H](CCC(OC)C1=CC(O)=CC=C1)C)C
Compound: Griseulin
SMILES: O=[N+]([O-])C1=CC=C(/C=C(/C=C/C=2OC(=O)C(C)=C(C2C)OC)\C)C=C1
Compound: Stemphone
SMILES: O=C1C=2O[C@]3([C@@H]([C@@]4([C@H](O[C@@H](C(O)(C)C)CC4)CC3)C)[C@@H](C2C(=O)C=C1[C@@H]([C@H](OC(=O)C)/C(=C/C)/C)C)O)C
Compound: 2-[(E)-undec-1-enyl]-1H-quinolin-4-one
SMILES: O=C1C2=C(NC(=C1)/C=C/CCCCCCCCC)C=CC=C2
Compound: 5-Keto-D-fructose
SMILES: O1[C@@]2(O)[C@@H](O)[C@H](O)[C@](C1)(O)OC2
Compound: Pseudomycin B
SMILES: ClCC(O)C1NC(=O)C(NC(=O)/C(/NC(=O)C(NC(=O)C(NC(=O)C(NC(C(NC(C(NC(C(COC1=O)NC(=O)CC(O)CCCCCCCCCCC)=O)CCN)=O)CC(=O)O)=O)CCCCN)CCN)C(O)C)=C\C)C(O)C(=O)O
Compound: Pitipeptolide F
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(NCC(O[C@H](C1(C)C)CCCC#C)=O)=O)C(C)C)=O)[C@H](CC)C)CC3=CC=CC=C3)C)C(C)C
Compound: Aquachelin B
SMILES: O=C(O)C(O)C(NC(=O)CCCCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CCC(=O)N)CO)CO
Compound: Paxillamide
SMILES: O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)C(O)C(O)CCCCCCCCCCCCCCCCCCCCC
Compound: (3Z,6Z)-3-((1H-imidazol-5-yl)methylene)-6-isobutylidenepiperazine-2,5-dione
SMILES: O=C/1N/C(/C(=O)N\C1=C/C=2NC=NC2)=C\C(C)C
Compound: Fr-33289
SMILES: P(=O)(O)(O)C[C@H](O)CN(O)C(=O)C
Compound: VM54159
SMILES: O=C1N([C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)NC5=C4C=CC6=C5OC=CC(O6)(C)C)C[C@]17N(CC[C@@H]7C)C3)C
Compound: Annularin H
SMILES: O=C1O[C@@H](CC(=O)CC)C(=C1)OC
Compound: A-500359 F
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2OC([C@H](O[C@@H]3OC(C(=O)O)=C[C@H]([C@@H]3O)O)C(=O)N)[C@H]([C@H]2O)OC
Compound: Orfamide C
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCC)CC(C)C)CCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(CO)C(NC(C(NC(C(NC(C(NC1C(C)C)=O)CO)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)C(CC)C)C
Compound: Avertoxin B
SMILES: O=C1OC(=C(C)C(=C1)OC/C=C(/C(=O)OC)\C)/C=C/C=C/C=C/[C@H]2O[C@H]3O[C@H](CC)[C@@]([C@]3([C@H]2O)C)(O)C
Compound: Palmarumycin EG1
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14C5=C(O)C=CC(=C5[C@@H](OC)CC4)O
Compound: Poricoic acid E
SMILES: O=C(O)C([C@@H]1[C@@]2([C@@](C=3C([C@]([C@H](C(=C)C)CC3)(CCC(=O)O)C)=CC2)(C)C[C@H]1O)C)CC/C=C(\CO)/C
Compound: NM-3
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2)[C@H](C(=O)O)C
Compound: Rhizoxin S2
SMILES: O=C1OC([C@@H]([C@@H](OC)/C(=C/C=C/C(=C/C=2N=C(C)OC2)/C)/C)C)C[C@H](O)C3(O[C@@H]3C=C[C@H](C(C[C@@H](CC=C1)CC(=O)O)O)C)C
Compound: Fusarielin D
SMILES: O=C(/C(=C/C=C/[C@@H]1[C@H](/C(=C/C)/C)[C@]2(O[C@H]2[C@H]3[C@H]1C[C@@H]4O[C@@]4(C3)C)C)/C)C(CO)C
Compound: Echinolactone B
SMILES: O=C1OC[C@H](O)C2=C1C=C3C(=O)C(C)(C)CC3=C2C
Compound: TMC-171A
SMILES: O=C(O[C@@H]([C@H](O)[C@H](O)CO)[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)CO)/C(=C/[C@H](C[C@H](CC)C)C)/C)C)/C)C)/C)C)/C
Compound: (3aS)-7-hydroxy-3a,5,5,8-tetramethyl-3,3a,4,5-tetrahydro-1H-cyclopenta[de]isochromen-1-one
SMILES: O=C1OC[C@]2(CC(C3=C2C1=C(C(O)=C3)C)(C)C)C
Compound: NFAT-68
SMILES: O=C(OC)/C=C/C(=C/C(C(O)C1=C(O)C(NC(=O)C)=CC(=C1)O)C)/C
Compound: 5-acetamidopentanoic acid
SMILES: CC(=O)NCCCCC(O)=O
Compound: 20-hydroxylucidenic acid E2
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)C(O)(CCC(=O)O)C)C
Compound: Carnemycin A
SMILES: O=C(OCC)C1=C(O)C(=C(O)C=C1CCC=CC=CCCC)C2OC(C(O)C(C2O)O)CO
Compound: Moenomycin H
SMILES: P(=O)(OC1OC(C(=O)N)C(O)[C@@H](C1OC2OC(C(OC3OC(C(O[C@@H]4OC(C(=O)NC5=C(O)CCC5=O)[C@H](O)C(C4O)O)[C@@H](C3NC(=O)C)O)C)[C@@H](C2NC(=O)C)O)COC6OC(C(O)C(C6O)O)CO)OC(=O)N)(OC[C@@H](O)C(=O)O)O
Compound: Chrodrimanin I
SMILES: O=C1C2=C(O)C=C3O[C@]4(CC[C@@H]5[C@@]([C@@H]4CC3=C2C[C@H](C1)O)(CCC(C5(C)C)=O)C)C
Compound: Mabetaetolide E
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]1C(C)C)=O)CO)=O)CC(C)C)=O)CO)CC(C)C)C(C)C)C
Compound: Ficipyrone A
SMILES: O=C1OC(=C(CO)C(=C1)OC)[C@@H](O)CCCCCC
Compound: Thuricin 439B
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CC=1C2=C(C=CC=C2)NC1)C(C)C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC(O)(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)CO)C)CC(C)C)C(C)C)C(C)C)C)CS)C)C(C)C
Compound: Gloeolactone
SMILES: O=C1OC(/C=C/[C@H]2O[C@@H]2C/C=C\CC)CCCCCCC1
Compound: Megastigma-4,6(E),8(Z)-triene
SMILES: C/1(\C(=CCCC1(C)C)C)=C\C=C/C
Compound: 5-demethylovalicin
SMILES: O=C1[C@@H](O)[C@@](O)([C@]2(OC2)CC1)[C@]3(O[C@@H]3CC=C(C)C)C
Compound: Thiazinotrienomycin C
SMILES: S1C2=C(NC(C1)=O)C=C3NC(=O)CC(OC)C=CC=CC=CCC(C(C(C(=CCCC2=C3O)C)O)C)OC(=O)C(NC(=O)CC(C)C)C
Compound: 8alpha,9alpha-epoxy-4,4,14alpha-trimethyl-3,7,11,15,20-pentaoxo-5alpha-pregnane
SMILES: O=C1C([C@H]2[C@]([C@]34O[C@]3([C@@]5(C(=O)C[C@@H]([C@]5(CC4=O)C)C(=O)C)C)C(C2)=O)(C)CC1)(C)C
Compound: Peribysin H
SMILES: O1[C@@H]2C([C@@H](O)C[C@@H]3[C@]2([C@H](C[C@H](C3)O)C)C)=C(C1)CO
Compound: Bispolide A1
SMILES: O=C1OC(C(C=CC=C(C=CC(=O)OC(C(C=CC=C(C=C1)CC)CC)C(C(O)CC2(OC(C(CC)C(C2)OC3OC(C(O)C(C3)O)C)C)O)C)CC)CC)C(C(O)CC4(OC(C(CC)C(C4)OC5OC(C(O)C(C5)O)C)C)O)C
Compound: Naphthomycin L
SMILES: O=C1NC2=C(N)C(=O)C=3C(C(=O)C(=C[C@@H]([C@@H](O)[C@H](C=C[C@H](CC=C(C(C[C@@H]([C@H](C=CC=CC=C1C)C)O)=O)C)O)C)C)C)=C(O)C(=CC3C2=O)C
Compound: 10-Methylundecan-5-olide
SMILES: O=C1O[C@H](CCC1)CCCCC(C)C
Compound: Linearmycin B
SMILES: O=C(O)/C(=C/C=C/C=C/C=C/C=C/CC/C=C/C(C(O)C(C(O)/C=C/C=C/C=C/C=C/C=C/CC(O)C(C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)/C=C/CC(O)CC(O)CCCN)C)C)C)/C
Compound: Micropeptin HM978
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](O)CC2=CC=C(O)C=C2)CC(=O)N)C(=O)N[C@H](C(=O)N[C@H]3CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC4=CC=CC=C4)C)=O)[C@H](CC)C)C3=O)O)CC(C)C)C
Compound: Penicitrinol H
SMILES: O=C1C=2C(=C(C)C(C1(O)CC(=O)C)=O)[C@@H]([C@@H](C)OC2)C
Compound: Eringiacetal A
SMILES: O1[C@]23OC4[C@]1(C5=C6[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC6)(C)CC[C@@]5([C@]2(CC[C@@H](C3)O)C)O4)C
Compound: WA8242A1
SMILES: O=C(O[C@H](CC(=O)N)CCCCCCCCCCC(C)C)[C@@H](NC(=O)C[C@@H](O)CCCCCCCCCCCC(C)C)CCCC(=O)O
Compound: CJ-21,058
SMILES: O=C/1N(C(CO)C(\C1=C(/O)\C2(C(C(=CC3C2CCC(C3)C)C)/C=C/C)C)=O)C
Compound: 3-formyl-L-tyrosinyl-L-threonine
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N)CC1=CC(=C(O)C=C1)C=O)[C@H](O)C
Compound: Daldinin B
SMILES: O=C1O[C@H](CC)C=2C1=C3O[C@@H](C(O)(C)C)CC3=CC2
Compound: Naphthyridinomycin
SMILES: O=C1C(OC)=C(C(=O)C2=C1[C@H](N3[C@H](O)C4CC5C6N(C2C3C5N4C)CCO6)CO)C
Compound: Colobetaolactone B
SMILES: O=C1OC([C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)COC(=O)C)CC3)(C)CC2)C)C)CC=C1C
Compound: Nortryptoquivaline
SMILES: O=C1N(C(=NC2=C1C=CC=C2)[C@@H](OC(=O)C)C(C)C)[C@@H]3C(=O)O[C@]4(C3)C5=C(C=CC=C5)N6[C@@H]4N(O)C(C)C6=O
Compound: Cryptophycin D
SMILES: O=C1N[C@@H](C(=O)NC[C@H](C(=O)O[C@H](C(O[C@@H](CC=C1)[C@@H](/C=C/C2=CC=CC=C2)C)=O)CC(C)C)C)CC3=CC=C(OC)C=C3
Compound: Spirosorbicillinol B
SMILES: O=C1O[C@@H]2[C@@H](O)C=C(C(=O)OC)C[C@H]2O[C@]13C4(C(=O)/C(=C(\O)/C=C/C=C/C)/C(C3)[C@@](C4=O)(O)C)C
Compound: Depsidellin C
SMILES: O=C(OC1=CC(OC(=O)C2=C(O)C=C(OC)C=C2CCC)=CC(=C1)CCCCC)C3=C(O)C=C(O)C=C3CCCCC
Compound: Ent-4(15)-eudesmen-11-ol-1-one
SMILES: O=C1[C@@]2([C@@H](C(=C)CC1)C[C@@H](C(O)(C)C)CC2)C
Compound: 11,12-dihydroxy-15-drimeneoic acid
SMILES: O=C(O)[C@@]1([C@H]2[C@@]([C@H](C(CO)=CC2)CO)(CCC1)C)C
Compound: Botcineric acid
SMILES: O=C(O[C@H]1[C@@H](O[C@@]([C@@H](O)[C@H](C(=O)O)C)(C)[C@H]([C@@H]1C)O)C)/C=C/[C@@H](O)CCCCCC
Compound: Epoxyquinol A
SMILES: O=C1C2=C([C@@H]3O[C@H]([C@H]2[C@H]4[C@@H](OC=C5[C@@]34C(=O)C6O[C@@H]6[C@H]5O)C)C)[C@H](O)[C@@H]7[C@H]1O7
Compound: Comnostin C
SMILES: O=C(O)C1=CC(=C(O)C=C1)C[C@]2(C3[C@@](C4[C@@]([C@@](C(=O)O)(C)CC4)(C)CC3)(CC[C@H]2C)C)C
Compound: Nocapyrone Q
SMILES: O=C1C(=C(OC(=C1C)OC)CCCCC(O)(C)C)CC
Compound: 1,3-Dihydroxy-6-hydroxymethyl-7-methoxyanthraquinone
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C3=C1C=C(OC)C(=C3)CO
Compound: (5R,6R)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione
SMILES: O=C1C=2C3=C(O)C=C(CC)C=C3[C@@H](O)[C@@H](C2C(=O)C4=C1C=CC=C4OC)O
Compound: 6-hydroxymethyl-2,2-dimethylchromanone
SMILES: O=C1C2=C(OC(C1)(C)C)C=CC(=C2)CO
Compound: Aeruginosin DA495B
SMILES: ClC1=C(O)C=CC(=C1)C[C@@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)O)C[C@H]2C(=O)N)CC(C)C
Compound: 3beta-hydroxy-4alpha-methyl-5alpha-cholest-7-ene-4beta-carboxylic acid
SMILES: [H][C@@]1(CC[C@@]2([H])C3=CC[C@]4([H])[C@](C)(CC[C@H](O)[C@]4(C)C(O)=O)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Compound: Trungapeptin A
SMILES: O=C1O[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)C)CCCC#C)[C@H](CC)C)CCC2)CC3=CC=CC=C3
Compound: Pukeleimide C
SMILES: O=C1N(C(=O)/C=C\2/N(C(=O)[C@](C2)(O)COC)C)CC(=C1)OC
Compound: Pezizolide C
SMILES: O=C1OCC(=C1CCC)CC[C@]2(OC(=O)[C@@H](C2)O)C
Compound: Penisimplicin A
SMILES: O=C1[C@@](OC(=O)[C@@H]2[C@@]1(C(=C)C[C@@H]3[C@@]4([C@H](C(C(=O)CC4)(C)C)[C@H]([C@@H]([C@@]23C)OC(=O)C)OC(=O)C)C)C)(C(=O)OC)C
Compound: Micropeptin 478-A
SMILES: ClC1=C(O)C=CC(=C1)C[C@@H]2N(C(=O)[C@@H](N3C(=O)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC([C@H]([C@H](OC([C@@H](NC2=O)C(CC)C)=O)C)NC(=O)[C@H](O)COS(=O)(=O)O)=O)CC[C@H]3O)C(CC)C)C
Compound: 3',5,7-trihydroxy-4',8-dimethoxyisoflavone
SMILES: O=C1C2=C(OC=C1C3=CC(O)=C(OC)C=C3)C(OC)=C(O)C=C2O
Compound: Panowamycin B
SMILES: O1[C@H]([C@H](C=2C=CC(=CC2[C@H]1CCO)C)C)C(C(O)C)C
Compound: Thiomuracin G
SMILES: S1C2=NC(=C1C)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C(=O)N[C@@H]([C@H](C(=O)CO)C)C4=NC(C5=NC(C6=C(C7=NC(C(N[C@H]2CC(=O)N)=O)=CS7)C=CC(=N6)C=8SC=C(N8)C(=O)NC(C(=O)NC(C(=O)O)=C)=C)=CS5)=CS4)CC9=CC=C(O)C=C9)[C@H](O)C%10=CC=CC=C%10
Compound: Arthpyrone B
SMILES: O=C1NC=C2[C@]3(O)[C@@H](O)[C@@H](OC2=C1C(=O)[C@H]4[C@H]5[C@H](C=C[C@H]4C)C[C@H](C)CC5)[C@@H](O)CC3
Compound: Ganefromycin beta
SMILES: O=C(O)/C=C/C=C/C=C/C1OC(C(C(OC)/C(=C/C=C/CNC(=O)[C@H]([C@]2(O[C@@H](/C=C/C=C\C)C(C)(C)[C@H](C2)O)O)CO[C@@H]3O[C@H]([C@@H](O[C@H]4O[C@H]([C@H](O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)OC)C)[C@@H](C4)OC)C)[C@H](C3)OC)C)/C)C)CC1O
Compound: Lichenysin G15
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]1[C@H](CC)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)N)CCCCCCCCCC(C)C
Compound: Homothallin II
SMILES: O=C1C=C(C#N)C[C@]1(O)C=C
Compound: (E)-N-[3-[(2S,5S)-5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N,5-dihydroxy-3-methylpent-2-enamide
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)/C=C(/CCO)\C)CCCN(O)C(=O)C
Compound: Gymnoprenol A10
SMILES: OC(C(O)CO)(CC/C=C(/CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)C)\C)\C)C
Compound: Enalin B
SMILES: O=C(C1=C(C=CC(=C1)O)C)C(=O)C
Compound: Gliotide
SMILES: O=C1O[C@H](C(=O)NC(C(=O)NCC(=O)N[C@@H](C(NC(C(N[C@@H]1CC2=CC=C(OCC=C(C)C)C=C2)=O)C)=O)CC3=CC=C(O)C=C3)C)CC4=CC=CC=C4
Compound: Phomoxydiene B
SMILES: O=C1O[C@H]([C@@H](O)[C@H]2[C@@H]3O[C@H]([C@H]2C)C=CC=C3)CC1
Compound: 14,15-Secocurvularin
SMILES: O=C(OCC)CC1=C(C(O)=CC(=C1)O)C(=O)CCCCC
Compound: Vibralactone M
SMILES: O=C1OCCC1=C[C@@H](C(=O)OCC)CC=C(C)C
Compound: Linearmycin A
SMILES: O=C(O)/C(=C/C=C/C=C/C=C/CC/C=C/C(C(O)C(C(O)/C=C/C=C/C=CC=C/C=C/CC(O)C(C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)/C=C/CC(O)CC(O)CCCN)C)C)C)/C
Compound: Aeruginosin GE810
SMILES: BrC1=C(O)C(Br)=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)[C@H](CC)C
Compound: Ribocitrin
SMILES: O=C(O)C(O[C@H]1O[C@H](CO)[C@H]([C@H]1O)O[C@H]2O[C@H](CO)[C@H]([C@H]2O[C@H]3O[C@H](CO)[C@H]([C@H]3O)O)O)(CC(=O)O)CCC(=O)O
Compound: Altersolanol K
SMILES: O=C1C2=C(C(O)=CC(=C2)OC)[C@H](O)[C@@H]3[C@@H]1[C@@H](O)[C@](O)([C@H](O)C3)C
Compound: Calcaripeptide A
SMILES: O=C1N2[C@H](C(=O)O[C@@H](CC[C@@H](C)C=C(C([C@@H](C(N[C@H]1CC3=CC=CC=C3)=O)C)=O)C)C)CCC2
Compound: Cyafrin B4
SMILES: O=C1C=C([C@H](O)C[C@H]2[C@]1(CC[C@@]3(C2=C(C(=O)C3)C(C)C)C)C)CO
Compound: SF-1902-A4b
SMILES: O=C1OC(C(C(=O)N(C(C(=O)NC(C(C)C)C(NC(C(NC(C(CN1)=O)C(C)C)=O)CO)=O)C(CC)C)C)C)CCCCCCCC
Compound: Annularin B
SMILES: O=C1OC(=C(CO)C(=C1)OC)CCC
Compound: Metacridamide B
SMILES: O=C1N[C@H](C(=O)O[C@@H]([C@H](C=C(C)[C@H]([C@H](C=C([C@@H]([C@H](C=C1C)C)O)C)C)O)C)[C@H](C[C@H](CC)C)C)CC2=CC=CC=C2
Compound: Jadomycin V
SMILES: O=C1C=2N3[C@@H](OC([C@@H]3C(C)C)=O)C=4C=C(C)C=C(C4C2C(=O)C=5C1=C(OC6O[C@H]([C@H](O)[C@@H](C6)O)C)C=CC5)O
Compound: 5-deoxybostrycoidin
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1C=NC(=C3)C
Compound: TMC-171C
SMILES: O=C(OC[C@@H](O)[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)CO)/C(=C/[C@H](C[C@H](CC)C)C)/C)C)/C)C)/C)C)/C
Compound: (-)-6-deoxyoxysporidinone
SMILES: O=C1N(C=C(C2(O)CCC(=O)CC2)C(=C1[C@H]3O[C@@H](/C(=C/C(CC(CC)C)C)/C)[C@H](C)CC3)O)C
Compound: Chloctanspirone B
SMILES: ClC=1C(=O)[C@]2([C@H]3C(C(=O)[C@](C2)(C)C([C@]3(O)C)=O)=C(O)/C=C/C=C/C)[C@H](O)[C@H](C1)O
Compound: Microcystbiopterin E
SMILES: O=C1NC(=NC=2C1=NC(=CN2)[C@@H](O)[C@@H](O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)COC)C)N
Compound: Spirodihydrobenzofuranlactam IV
SMILES: O=C1N(C(C(=O)O)CCC(=O)O)CC2=C1C=C3OC4(C5(C(C(C(O)CC5)(C)C)CCC4C)C)CC3=C2O
Compound: Cytospolide P
SMILES: O=C1O[C@@H]([C@@H](O)CC[C@H](CC([C@@H]1C)=O)OC(=O)C)CCCCC
Compound: Concrescenin A
SMILES: O=C(OC1=C(OC(=O)C)C(=C(O)C(=C1C2=CC=C(O)C=C2)O)C3=CC=C(O)C=C3)C4=CC=CC=C4
Compound: DKxanthene 492
SMILES: O=C(NC(C(=O)O)CC(=O)N)/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: Apramide D
SMILES: S1C(=NC=C1)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@H]3N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](CCCCC#C)C)C)C)C)C(C)C)CCC3)C)C(C)C)C)C(C)C)C)CC4=CC=C(OC)C=C4)CCC2
Compound: Chaetomugilin S
SMILES: ClC1=C2C(=COC(=C2)/C=C/[C@H](CC)C)[C@@H]3[C@@H]([C@H](O)[C@H](CC)C)C(O[C@]3(C1=O)C)=O
Compound: Octylparaben
SMILES: O=C(OCCCCCCCC)C1=CC=C(O)C=C1
Compound: Gallicynoic acid B
SMILES: O=C(O)CCCC/C=C\[C@H](O)C#C[C@H](O)CCCC
Compound: Wortmannilactone I3
SMILES: O=C1O[C@H]2[C@@H](C)C([C@@]1(C2(/C=C/C=C/C=C/C=C(/[C@@]3(C=C([C@@H](C)O[C@@H]3OCCCC)C)C)\C)C)C)=O
Compound: Aspergilol B
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(OC4=CC(O)=CC(=C4)C)C3)[C@H](C5=C(O)C=C(O)C=C5C)CCCCC
Compound: Coprismycin A
SMILES: S(C1=C(OC)C=C(C2=CC=CC=C2)N=C1/C=N\O)C
Compound: 4''-deoxyterprenin
SMILES: O(C1=C(O)C=C(C2=C(O)C(OC)=C(C3=CC=CC=C3)C=C2OC)C=C1)CC=C(C)C
Compound: Botryolide B
SMILES: O=C1O[C@H](C[C@H]2O[C@H]2C=C[C@H](C1)O)C
Compound: 2''-oxoasterriquinol D methyl ether
SMILES: O=C1NC=2C=CC=CC2[C@@H]1C3=C(OC)C(OC)=C(C=4C5=C(C=CC=C5)NC4)C(=C3OC)OC
Compound: 5-methoxy-2,4-dimethylindole
SMILES: O(C1=C(C2=C(NC(=C2)C)C=C1)C)C
Compound: 4'-hydroxyaporpinone A
SMILES: O=C1O/C(=C(\C#C[C@@](O)(CO)C)/CO)/C=C1
Compound: Ergost-7-en-3-one
SMILES: O=C1C[C@H]2[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: Sespenine
SMILES: O=C1[C@@H]2NC3=C(C=CC=C3)[C@]4(C2)CC[C@@H]5[C@@]([C@H]4C1)(CC[C@@H]([C@]5(C(=O)O)C)O)C
Compound: 11-O-methyl-epi-cochlioquinone A
SMILES: O=C1C=2O[C@@]3([C@@H]([C@@]4([C@H](O[C@@H](C(O)(C)C)CC4)CC3)C)[C@@H](C2C(=O)C=C1[C@@H]([C@H](OC(=O)C)[C@H](CC)C)C)OC)C
Compound: Marcfortine C
SMILES: O=C1N[C@]23[C@@H](C(C)(C)[C@@]4(C2)C(=O)NC5=C4C=CC6=C5C=CC(O6)(C)C)C[C@]17N(CCCC7)C3
Compound: Stemphyltoxin II
SMILES: O=C1C2=C(O)C=CC3=C2[C@H]([C@]4(O)CCC(C=5C4=C3C=CC5O)=O)[C@@H]6[C@H]1O6
Compound: SW-B
SMILES: O=C(N)/C(=C/C(=C/[C@H](CCCC)C)/C)/C
Compound: Xentrivalpeptide I
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CC2=CC=CC=C2)C(CC)C)C(=O)N[C@@H](C(=O)N3[C@@H](CCC3)C(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C(C)C)=O)C(C)C)=O)CC4=CC=CC=C4)C
Compound: Antcin F
SMILES: O=C1C2=C(C3=CCC(C3(C1)C)C(CCC(=C)C(C(=O)O)C)C)[C@@H](O)CC4C2(CCC([C@H]4C)=O)C
Compound: Quinoxapeptin A
SMILES: O=C1OC[C@@H](NC(=O)C2=NC=3C(=CC(OC)=CC3)N=C2)C(=O)N4N=CCC([C@H]4C(=O)NCC(=O)N(CC(=O)N([C@H](C(=O)OC[C@H](C(N5[C@H](C(NCC(N(CC(N([C@H]1C(O)(C)C)C)=O)C)=O)=O)[C@@H](OC(=O)[C@H]6[C@H](C)C6)CC=N5)=O)NC(=O)C7=NC=8C(=CC(OC)=CC8)N=C7)C(O)(C)C)C)C)OC(=O)[C@H]9[C@H](C)C9
Compound: Alcalinaphenol C
SMILES: ClC1=C(OC)C(OC)=C(OC)C(=C1CO)O
Compound: Xylaromanone B
SMILES: O=C1C2=C(O)C(C3=C4O[C@](C(=O)OC)([C@H]5OC(=O)C[C@@H]5C)CC(C4=C(O)C=C3)=O)=C(C)C=C2O[C@@](C1)(C(=O)OC)[C@H]6OC(=O)CC6
Compound: (3R,3'R,4aR,5R,6R)-8-chloro-6-hydroxy-3'-(hydroxymethyl)-3',4a,5-trimethylspiro[5,6-dihydro-4H-naphthalene-3,2'-oxirane]-2-one
SMILES: ClC=1C2=CC(=O)[C@@]3(O[C@@]3(CO)C)C[C@@]2([C@@H](C)[C@H](C1)O)C
Compound: Agrocybolactone
SMILES: O=C1O[C@H]2OCC=3[C@H]2[C@]14[C@@H](O)CCC([C@@H]4CC3)(C)C
Compound: Truncateol T
SMILES: Cl[C@@]12[C@H](O)[C@H](O)C(=C=CC(=C)C)C[C@@H]1O[C@H](C2)C(O)(C)C
Compound: Trichocarane C
SMILES: O[C@@]1([C@H]2[C@](CCC(CC2)CO)(C)C[C@@H]1O)C(C)C
Compound: Lactarolide A
SMILES: O=C1OC(O)C2=C1C[C@](O)([C@H]3CC(C[C@H]3[C@@H]2O)(C)C)C
Compound: SMTP-12
SMILES: O=C1N([C@H](C(=O)O)C)CC2=C1C=C(O)C3=C2O[C@]([C@@H](O)C3)(CCC=C(CCC=C(C)C)C)C
Compound: Brasilamide A
SMILES: O=C1OC2(O)[C@@H](C)C3C1(C(C2)C3)CC(=O)/C=C(/C(=O)N)\C
Compound: Helotialin B
SMILES: O=C1C=C2C(=COC(=C2)C)[C@H]([C@]1(O)C)CC(=O)/C=C/CCCCCCC
Compound: Armillariol C
SMILES: O=C(C=1OC([C@H](O)[C@@H](O)CCCCC)=CC1)C
Compound: Isariotin D
SMILES: O=C1[C@@]2(O)[C@H]3O[C@H]3[C@H]([C@@H]1[C@@H](O)[C@H](C2)NC(=O)/C=C/CCCCCCC)O
Compound: Spartanamicin B
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C4=C([C@@H](C(=O)OC)[C@@](O)(CC)C[C@@H]4O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H](C(=O)CC7)C)[C@H](C6)O)C)[C@H](C5)N(C)C)C)C3)C(O)=CC=C2O
Compound: Aspinolide C
SMILES: O=C1C=C[C@H](OC(=O)/C=C/C)[C@H](OC(CC[C@@H]1O)=O)C
Compound: AH-1763 IIa
SMILES: O=C1C2=C3OC(=CC(C3=C(C)C=C2C(=O)C=4C1=C(O)C=CC4)=O)C(C(O)C)C
Compound: Carboxymycobactin-4
SMILES: O=C1N(O)CCCCC1NC(=O)C(C(OC(=O)C(NC(=O)C2N=C(C3=C(O)C=CC=C3)OC2C)CCCCN(O)C(=O)/C=C\CCCCCCC(=O)O)CC)C
Compound: Saptomycin H
SMILES: O=C1C2=C3OC(=CC(C3=C(C)C=C2C(=O)C=4C1=C(O)C(=CC4)[C@@H]5O[C@H]([C@@H](OC(=O)C)[C@](C5)(N(C)C)C)C)=O)C6(OC6/C=C\C)C
Compound: N99-596 B
SMILES: O=C1C2=C(OC=C1C3=CC(OC4OC(C(O)C(C4O)O)C)=C(O)C=C3)C=C(O)C=C2O
Compound: Hydnellin B
SMILES: O=C1C(O)=C(C(=O)C(=C1C2=CC=3OC(=O)C(N(O)C(=O)/C(=N/OC)/[C@H](CC)C)(C[C@H](CC)C)OC3C=C2)O)C4=CC=C(O)C=C4
Compound: Isoapoptolidin
SMILES: O=C1O[C@@H]([C@@]2(O[C@@H]([C@H](C)[C@@H]([C@H]2C)O)C[C@@H](O[C@@H]3O[C@H]([C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)OC)C)[C@](C3)(O)C)C)COC)O)[C@@H](O)C[C@H](OC)[C@@H](O)CCC=C(C)C=C[C@H]([C@@H](C=C(C=C(C=C1C)C)C)C)O[C@@H]5O[C@H]([C@H](OC)[C@H]([C@@H]5O)O)C
Compound: Citreopyrone D
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C/C=C/C=C/C(=O)C
Compound: Pisosteral
SMILES: O=C(O[C@@H]([C@@H](O)C(=C)C(C)C)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H]([C@](C=O)([C@@H](O)CC4)C)CC3)C)CC2)(C)CC1)C)C)C
Compound: Coniochaetone C
SMILES: O=C1C2=C(OC3=C1[C@@H](OC)CC3)C=C(C)C=C2O
Compound: Pestalachloride C
SMILES: ClC1=C2OC([C@H]3CC=4C([C@@H]3C2=C(OC)C(=C1C)Cl)=C(C(O)=CC4O)C=O)(C)C
Compound: (2S,9S,10S,3'S,4'S,6'S)-griseusin E
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1[C@@]4(O[C@H]([C@H]3O)CC(=O)OC)O[C@H](C[C@@H]([C@@H]4O)OC(=O)C)C
Compound: Lyngbyabellin D
SMILES: ClC(Cl)(CCC[C@H](OC(=O)C=1N=C([C@H](O)COC(=O)C[C@@H](OC(=O)C)[C@@H](NC(=O)CCC)C(C)C)SC1)[C@H](C(=O)O[C@@H](C=2SC=C(N2)C(=O)OC)[C@@](O)(CC)C)C)C
Compound: Cycloepoxytriol B
SMILES: O1[C@@H]([C@@H](O)C=2[C@H](O)[C@@H]3C([C@@H](C2C1)O)O3)CCC
Compound: (1R,2E,4S,5R)-1-[(2R)-5-oxotetrahydrofuran-2-yl]-4,5-dihydroxy-hex-2-en-1-yl(2E)-2-methylbut-2-enoate
SMILES: O=C1O[C@@H]([C@H](OC(=O)/C(=C/C)/C)/C=C/[C@H](O)[C@H](O)C)CC1
Compound: 3,7-dimethyl-1,8-dihydroxy-6-methoxyisochroman
SMILES: O1[C@@H](O)C2=C(O)C(=C(OC)C=C2C[C@@H]1C)C
Compound: 10-Hydroxy-18-N-2-naphtyl-N-phenylaminobetae-none
SMILES: O=C1[C@]2(O)[C@@H]([C@@](C(=O)/C=C/N(C3=CC=4C(=CC=CC4)C=C3)C5=CC=CC=C5)(C)[C@H]([C@@]1(O)C)C(CC)C)[C@@H](C[C@](C2)(O)C)C
Compound: Actithiazic acid
SMILES: S1[C@H](NC(C1)=O)CCCCCC(=O)O
Compound: 1beta,13-dimethoxy-10alpha-hydroxyeremophil-7(11)-en-12,8beta-olide
SMILES: O=C1O[C@@H]2C[C@]3(O)[C@H](OC)CC[C@@H]([C@]3(CC2=C1COC)C)C
Compound: (1S,2R)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-hexanoic acid methyl ester
SMILES: O=C1[C@@H]([C@@H](CCCCCC(=O)OC)CC1)C/C=C\CC
Compound: Aspergilumamide A
SMILES: O=C1N(C(=O)C=2N=C(C(=O)N[C@H](C(=O)NC3=C(C(=O)OC)C=CC=C3)CCC(=O)N)C=NC2N1C)C
Compound: Apramide B
SMILES: S1C(=NC=C1)CN(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)CCCCCC#C)C)C)C)C(C)C)CCC2)C)C(C)C)C)C(C)C)C)CC3=CC=C(OC)C=C3)C
Compound: Janoxepin
SMILES: O=C1N2C(=NC3=C1C=CC=CO3)/C(/NC([C@@H]2CC(C)C)=O)=C/C(C)C
Compound: Xialenone E
SMILES: O=C1C(O)=C(CC=C)[C@@]2([C@H]1CCC2=O)O
Compound: Neolymphostin C
SMILES: O=C(C=1NC=2C(NC(=O)[C@H](CC)C)=CC(=N)C=3C2C(C1)=CN3)C=COC
Compound: Phomolide B
SMILES: O=C1O[C@H](C[C@H]2O[C@H]2C=C[C@H](C1)O)CCC
Compound: Ganoderlactone A
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3([C@H]1O)C)[C@]4(OC(=O)CC4)C)C)[C@@H](O)C[C@@H]5[C@@]2(CCC(C5(C)C)=O)C
Compound: Cucumin G
SMILES: O=C1[C@@]2(C(=C(C)[C@@H](C2)O)[C@H]3[C@@H]1CC(C)(C)C3)C
Compound: 8-methoxy-3-methyl-1naphthalenol-6-O-alpha-D-ribofuranoside
SMILES: O1[C@H](OC=2C=C(OC)C3=C(O)C=C(C=C3C2)C)[C@H](O)[C@@H]([C@H]1CO)O
Compound: Sterebin Q3
SMILES: O[C@]1([C@H](/C=C/[C@](O)([C@H](O)CO)C)[C@@]2([C@H](C(CCC2)(C)C)[C@H]([C@@H]1O)O)C)C
Compound: PGL K6
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](O)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: Herqueichrysin
SMILES: O=C1C(O)=C(O)C=2C=3O[C@@H](C)C(C3C(=C4C2C1=C(OC)C=C4C)O)(C)C
Compound: Atranone D
SMILES: O=C1C=C(C(C)C)[C@@H]2[C@@]1(CCC(=C3OC(=O)[C@H]([C@@H]3C=C(CC2)C)[C@@H](O)C)C)C
Compound: Pyridazomycin
SMILES: O=C(N)C1=CN=[N+](CCC[C@H](N)C(=O)O)C=C1
Compound: 5-(but-3-en-1-yl)-3-propylfuran-2(5H)-one
SMILES: O=C1O[C@@H](CCC=C)C=C1CCC
Compound: (2S)-2-[[5-amino-7-[[(1S)-1-carboxy-2-phenylethyl]amino]-7-oxoheptanoyl]amino]-3-phenylpropanoic acid
SMILES: O=C(O)[C@@H](NC(=O)CC(N)CCCC(=O)N[C@H](C(=O)O)CC1=CC=CC=C1)CC2=CC=CC=C2
Compound: Rhinocladin B
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC(=C3)CC=C(C)C)NC2)CC(C)C
Compound: Oxirapentyn G
SMILES: O1C([C@H](O)C[C@@]23[C@@H]1[C@H](O)[C@@](O)(C#CC(=C)C)[C@H]([C@@H]2O3)O)(C)C
Compound: Biselyngbyaside B
SMILES: O=C1O[C@@H](/C=C(\C/C=C/C)/C)CC=CC=CC[C@H](C)C=C([C@H](C[C@H](C[C@H](C1)O[C@@H]2O[C@H](OC)[C@@H](O)[C@@H]([C@H]2O)OC)O)OC)C
Compound: Rhytidenone A
SMILES: O=C1C2=CCCC3([C@@H]2[C@H](O)[C@@H]4[C@H]1[C@]5(OC(=O)CC5)[C@@H](C)O4)OC=6C=7C(C=CC6)=CC=CC7O3
Compound: LL-BM726
SMILES: O=C1C=CCC1(O)C(NC(=O)C(N)CCCN=C(N)N)C(=O)O
Compound: N-gamma-glutamyl-boletine
SMILES: O=C(O)[C@@H](NC(=O)CC[C@H](N)C(=O)O)CCCC(=O)CCCC
Compound: 8-Amino-1-phenazineol
SMILES: OC=1C2=NC=3C(=CC=C(C3)N)N=C2C=CC1
Compound: E)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acid
SMILES: O=C1N(C(=O)CC1=C(C)C)/C=C/C(=O)O
Compound: 4-{[tricycle(3.2.1.11,3)non-8-yl] methoxy carbonyl benzene-1,3-dicarboxylic acid} (2,4,5,6,7, 8, 9 heptaoxa, 3-ethoxy, 5,6,7,9-tetramethyl unidecane)
SMILES: O=C(OCC1C23CC(C1)C(C(OC(OC(OC(OCC(OCC)OCC)C)C)C)OC(OCC)C)C(C2)C3)C4=C(C(=O)O)C=CC=C4C(=O)O
Compound: Epothilone A9
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@@H]3[C@H](C2)O3)C)C)(C)C)\CO)C
Compound: Dnacin A1
SMILES: O=C1C(N)=CC(=O)C2=C1C(N3C(C#N)C4CC5C6N(C2C3C5N4C)CCO6)CO
Compound: Brocazine G
SMILES: S1S[C@]23N([C@@H]4[C@@H](O)C=C[C@@H]([C@H]4C2)O)C([C@]15N([C@@H]6[C@@H](O)C=CC=C6C5)C3=O)=O
Compound: Deoxynortryptoquivalone
SMILES: O=C1N(C(=NC2=C1C=CC=C2)C(=O)C(C)C)[C@@H]3C(=O)O[C@]4(C3)C5=C(C=CC=C5)N6[C@@H]4NC(C)C6=O
Compound: Frankiamide
SMILES: O=C1N2C(=O)C=3C=CC=C(C3C24OC(C(CCCCC(C(C1)O4)C)C)C(C(=O)C=5NC=CC5)C)O
Compound: Pestalazine B
SMILES: O=C1N2[C@H]3NC=4C=CC=CC4[C@@]3(N5C6=C(C=CC=C6)C(=C5)C[C@@H]7NC(=O)[C@@H](CC(C)C)NC7=O)C[C@H]2C(=O)N[C@@H]1CC8=CC=CC=C8
Compound: N-[4'-hydroxy-(E)-cinnamoyl]-L-tyrosine methyl ester
SMILES: O=C(N[C@H](C(=O)OC)CC1=CC=C(O)C=C1)/C=C/C2=CC=C(O)C=C2
Compound: 13,14-Dimethyloctacosanedioic acid
SMILES: O=C(O)CCCCCCCCCCCC(C(CCCCCCCCCCCCCC(=O)O)C)C
Compound: BE-31405
SMILES: O=C(O)[C@]12C(=C[C@@H]3[C@]1(C[C@H]4[C@H]([C@@]2(C=O)C3)CC[C@H]4C)CO[C@]56O[C@@H]7O[C@H]([C@@H]5O)[C@@H]([C@@H]7O6)OC(=O)C)C(C)C
Compound: JBIR-13
SMILES: O=C1OC(CC=CC=CC=CC=CC(OC2OC(C(N)C(C2O)O)C)CC3OC(CC(CC4C(C=C1)O4)O)(O)CC(O)C3C(=O)O)CCC
Compound: Pseudomonas a ferritin
SMILES: S(CCC(N)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC=1NC=NC1)CCC(=O)N)C(CC)C)C(C)C)CCCCN)CCCCN)CC(=O)O)CCCCN)C
Compound: Fascicularone B
SMILES: O=C1O[C@@H]2[C@@]3(O)[C@]([C@]1(O)C[C@H]3C)([C@H]4CC([C@@H]24)(C)C)C
Compound: Rubrumline G
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC(=C3)C[C@H](OC(=O)C)C(O)(C)C)NC2C(C=C)(C)C)C
Compound: Migracin B
SMILES: O=C(C1=C(O)C(=C(O)C(=C1)[C@H](OCC)C(C)C)C=O)[C@H]([C@@H]2O[C@@H](O)[C@]3(O[C@H]3CC)[C@@H](C2)O)CCC
Compound: Asiaticusin B
SMILES: O=C(O)C1=CC(=C(O)C=C1)C/C=C/C(C/C=C/C(C/C=C/C(CC/C=C(\C(=O)O)/C)C)C)C
Compound: 2-butyl-5-propylresorcinol
SMILES: OC1=C(C(O)=CC(=C1)CCC)CCCC
Compound: FR198248
SMILES: O1[C@H](O)C=2C(O)=C(O)C(=C(C2C1)C)O
Compound: MF-EA-705alpha
SMILES: O=C(O)C/C=C/C=C/C=C(\C1=C(C=C(C)C=C1)/C=C/C=C)/C
Compound: Aporpinone A
SMILES: O=C1O/C(=C(\C#C[C@H](CO)C)/CO)/C=C1
Compound: Okilactomycin A
SMILES: O=C1[C@@]2(C(=O)O[C@]34[C@@H]2O[C@@H]([C@@H]1CO)[C@@H](C[C@@H](CCC[C@H]3C=C(C(=O)O)[C@H](C4)C)C)C)C
Compound: Antimycin A7a
SMILES: O=C1O[C@H]([C@H](OC(=O)C(C)C)[C@@H](CCC(C)C)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Ophiobolin J
SMILES: O=C1C2=C([C@@H](O)C[C@H]3[C@]4(O[C@@H](C=C(C)C)C[C@@H]4C)CC[C@@]3(C[C@@H]2C(=C1)C)C)CO
Compound: (9E,12Z)11-Hydroxy-6-methyl-7,15-dioxabicyclo[12.1.0]pentadeca-9,12-diene-2,8-dione
SMILES: O=C1OC(CCCC(=O)C2C(C=CC(C=C1)O)O2)C
Compound: Flammulinol A
SMILES: O=C1C=C(C)[C@H]2[C@@]1([C@@H]3[C@@H](C[C@](C3)(CO)C)C2)C
Compound: Trichodermic acid B
SMILES: O=C(O)/C(=C/C=C/[C@H]1C(=C[C@@H](O)[C@@H]2[C@@H]1[C@@H]([C@@H](O)[C@@H](C2)C)C)C)/C
Compound: 1,8-dihydroxy-5-methoxy-3-methylxanthone
SMILES: O=C1C2=C(OC3=C1C(O)=CC(=C3)C)C(OC)=CC=C2O
Compound: 2,3-Di-O-acyltrehalose
SMILES: O=C(OC1C(OC(CO)C(C1OC(=O)C)O)OC2OC(C(O)C(C2O)O)CO)C
Compound: Maaliane-5alpha, 8alpha, 9alpha-triol
SMILES: O[C@]12[C@@]([C@H](O)[C@H](O)[C@@H]3C1C3(C)C)(CCC[C@@H]2C)C
Compound: Pleurocybellone A
SMILES: O=C1C(O)=C2C=C[C@@H]3[C@H]([C@@]2(C1=O)C)[C@@H](OC(=O)C(O)CCCCCC)C(C)(C)C3
Compound: Momofulvenone A
SMILES: O=C1C2=C(O)C=CC=C2C(O)=C3C1=CC=4C(=O)C(O)(C)C(C(C34)O)O
Compound: Hermitamide A
SMILES: O=C(NCCC1=CC=CC=C1)CC/C=C/C[C@@H](OC)CCCCCCC
Compound: Fijiolide A
SMILES: ClC1=C2C=CC3=C1C4=CC=C[C@]4(O[C@@H]5OC([C@@H](N(C)C)[C@H]([C@H]5O)O)(C)C)[C@@H]3OC6=C(Cl)C=C([C@H](CC(OC[C@@H]2O)=O)NC(=O)C)C=C6O
Compound: Isochromophilone IV
SMILES: ClC=1C(=O)[C@](O)([C@H](OC(=O)C)[C@@H]2C1C=C(OC2)/C=C/C(=C/[C@H](CC)C)/C)C
Compound: Dehydroazasirosterol
SMILES: O=C1C=2N[C@]34[C@@](C5C(C6[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC6)(C)CC5)=C[C@@H]3OC2C=7C(O)=CC=C8C7C1=C(O)C=9C(C(C)OC89)(C)C)(CC[C@@H](C4)O)C
Compound: Illudinic acid
SMILES: O=C1C(=C)C2([C@@](O)(C)C3=C1C[C@@](C(=O)O)(C)C3)CC2
Compound: Aspernolide J
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)CCC(O)(C)C)C(=C1OC)C3=CC(O)=C(O)C=C3
Compound: Nocardimicin G
SMILES: O=C1N(O)CCCCC1NC(=O)C(C(OC(=O)C(NC(=O)C2N=C(C3=C(O)C=CC=C3)OC2)CCCCN(O)C=O)CCCCCCCCCCCCC)C
Compound: Verrucarin M
SMILES: O=C1OCC23C4(C5(OC5)[C@H](O[C@@H]2C=C(C)CC3)C(C4OC(=O)C=CC=CC(OCCC(=C1)C)=O)O)C
Compound: Oscillacyclin
SMILES: O=C1N2[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(N[C@H](C(N[C@H](C(N[C@H]1CC(=O)N)=O)CC3=CC=C(O)C=C3)=O)C)=O)[C@H](CC)C)=O)CO)[C@H](O)C)[C@H](O)C)CC4=CC=CC=C4)CCC2
Compound: 2,5-dihydroxy-3-(3,4-dihydroxyphenyl)-6-phenyl-1,4-benzoquinone
SMILES: O=C1C(O)=C(C(=O)C(=C1C2=CC(O)=C(O)C=C2)O)C3=CC=CC=C3
Compound: Pestalotheol A
SMILES: O=C1C2=C(OC(C1)(C)C)[C@H](O)[C@]3(O)C[C@@H](O[C@H]3C2)C(O)(C)C
Compound: 6-epi-ophiobolin C
SMILES: O=C1C2C(=CCC3C([C@H](CCC=C(C)C)C)CC[C@@]3(C[C@@H]2[C@@](C1)(O)C)C)C=O
Compound: Pezizolide G
SMILES: O=C1OCC(=C1C=CC)C/C=C/C
Compound: Neomaclafungin G
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)CCCC
Compound: Nocardiopyrone B
SMILES: O=C1OC(=C(CO)C=C1C)[C@@H](CCC)C
Compound: Darlucin B
SMILES: O=C1CCC(O)(CC([N+]#[C-])=C([N+]#[C-])CC2=CC=C(OC)C=C2)CC1
Compound: (E)-2-(1,5-dihydroxypent-2-en-2-yl)-3-(hydroxymethyl)cyclopent-2-enone
SMILES: O=C1C(=C(CO)CC1)/C(=C\CCO)/CO
Compound: 3-acetonyl-2,6-dimethyl-5-hydroxy-1,4-benzoquinone
SMILES: O=C1C(=O)C(=C(O)C(=C1CC(=O)C)C)C
Compound: Sinapicolone
SMILES: O=C1C2=C(O)C(C=3C=4C(C(O)=C5C3C[C@@](O)(C)[C@@H](C5=O)O)=C(OC)C=C(C4)OC)=C(OC)C=C2C(C6C7=C(C(=O)C8=C6C=C(C)C=C8O)C(O)=C(C=9C=%10C(C(O)=C%11C9C[C@@](O)(C)[C@@H](C%11=O)O)=C(OC)C=C(C%10)OC)C(=C7)OC)C=%12C1=C(O)C=C(C)C%12
Compound: Trisorbicillinone B
SMILES: O=C1C(C(=O)[C@]2([C@H]3C(C(O)=C(C([C@]3(O[C@]2([C@]1(O)C)O)C)=O)C)=C(O)/C=C/[C@@H]4[C@@]5(C(=O)C(=C(O)/C=C/C=C/C)[C@H]([C@H]4C)[C@@](C5=O)(O)C)C)C)=C(O)/C=C/C=C/C
Compound: Asperglaucide
SMILES: O=C(N[C@H](C(=O)N[C@H](COC(=O)C)CC1=CC=CC=C1)CC2=CC=CC=C2)C3=CC=CC=C3
Compound: Bacillomycin Lc 2
SMILES: O=C1N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CC(=O)N)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](O)C)=O)CO)=O)CCC(=O)O)=O)CO)=O)CC2=CC=C(O)C=C2)CC(=O)N)CCCCCCCCCC(C)C
Compound: PAX6
SMILES: O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(NCCCC[C@H]1NC(=O)[C@@H](NC(=O)CNC(=O)C[C@H](O)CCC/C=C\CCCCCC)CCCN=C(N)N)=O)CCCCN)CCCCN)CCCCN)CCCCN
Compound: Lyngbyazothrin D
SMILES: O=C/1N[C@H](C(=O)NC(C(=O)N2[C@H](C(=O)NC(C(O)C(=O)N[C@H](C(=O)NCC(N3[C@H](C(N4[C@H](C(N[C@@H](C(N[C@H](C(N\C1=C\C)=O)CO)=O)[C@H](CC)C)=O)CCC4)=O)CCC3)=O)CCC(=O)N)CC(OC(=O)C(N(C(=O)C)C)CC5=CC=C(O)C=C5)CC(O)C(O)CC(C)C)CCC2)CCC6=CC=CC=C6)[C@H](O)C
Compound: Agropyrenone
SMILES: O=C1OC=2C(O)=C(C)C(=C(C2[C@@H]1C)C)O
Compound: Lampteroflavin
SMILES: O=C1N=C2N(C3=C(C=C(C)C(=C3)C)N=C2C(N1)=O)C[C@H](O)[C@H](O)[C@H](O)COC4OC(CO)C(C4O)O
Compound: (Z)-2-(5-hydroxyhex-yl)pent-2-enedioic acid
SMILES: O=C(O)/C(=C\CC(=O)O)/CCCC[C@@H](O)C
Compound: Quinofuracin A
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@@H](O[C@@H]4O[C@@H]([C@H](O)CO)[C@@H]([C@H]4O)O)CCCCC
Compound: Cytochalasin Z22
SMILES: O=C1O[C@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]4([C@H](C3C=CC[C@@H](C([C@@](C=C1)(O)C)=O)C)O4)C)CC5=CC=CC=C5
Compound: Trichalasin E
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C([C@H]([C@@H]3C=C(CC[C@H]([C@H](C=C1)O)O)C)OO)C)CC(C)C
Compound: Cephalimysin B
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@@]13OC(C=4OC(CC)=CC4)=C(C3=O)C)O
Compound: Besarhanamide A
SMILES: O=C(N[C@@H](CO)C)C1OC1CC/C=C/CCCCCCCCCCCCC
Compound: Brasilicardin B
SMILES: O=C(O[C@@H]1[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2NC(=O)C)O)CO)[C@@H](O)[C@H](O[C@@H]3[C@@H](O)C([C@H]4CC[C@@]5([C@@H]([C@@]4(C3)C)CC=C([C@@H]5CC[C@H](N)C(=O)O)C)C)(C)C)O[C@H]1C)C6=CC(O)=CC=C6
Compound: Arohynapene D
SMILES: O1[C@H](CC=2C=C(O)C=C(C2C1)OC)C
Compound: Paleic acid
SMILES: O=C(O)CCCCCCC/C=C\CCCCC[C@H](O)CC
Compound: Halobacillin
SMILES: O=C1O[C@@H](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]1[C@@H](CC)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)N)CCCCCCCCCCCC
Compound: Surugamide A
SMILES: O=C1N[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(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)C)=O)[C@H](CC)C)=O)CC(C)C)CC2=CC=CC=C2)[C@H](CC)C)CCCCN)[C@H](CC)C
Compound: Cytovaricin B
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)CC)C[C@@]4(OC[C@@H](C)C[C@H]4C=CCCC[C@]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@](C=C1)(O)C)O)C)O)O[C@@H]5OC([C@@H](O)C(C5)OC)C)O)(O)C)OC)C
Compound: Neoilludol
SMILES: O[C@]12C(=C[C@@H]3CC(C[C@@H]3[C@]1(C(O)C2)C)(C)C)CO
Compound: Gymnastatin S
SMILES: O=C(NC(C(=O)O)CC1=CC=C(O)C=C1)/C=C/C(=C/[C@@H](CC(=O)O)C)/C
Compound: Graphisin A
SMILES: O=C(OC)C1=C(C(O)=CC=C1O)C(=O)C2=C(O)C=C(CO)C=C2O
Compound: Quercinic acid B
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC(=O)C(=C)C(C(=O)O)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Homononactyl homononactate
SMILES: O=C(O[C@H](C[C@H]1O[C@@H]([C@H](C(=O)O)C)CC1)CC)[C@H]([C@H]2O[C@@H](C[C@H](O)CC)CC2)C
Compound: Cyclobotryoxide
SMILES: O=C1C(OC)=C([C@@H](O)[C@H]2[C@@H]1O2)C
Compound: Hebelomic acid F
SMILES: O=C(O[C@H]1[C@H](OC(=O)C)C(C2CCC3=C([C@]2(C1)C)CC[C@]4([C@]3(CC[C@@H]4C5[C@@H](O[C@@H](C(O)(C)C)CC5)OC(=O)C)C)C)(C)C)CC(O)(CC(=O)O)C
Compound: Aspochalasin K
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC(C(C(C1)O)OC)O)C)C)CC(C)C
Compound: Isopimara-8,15-dien-19-ol
SMILES: OC[C@@]1([C@H]2[C@@](C3=C(C[C@](C=C)(C)CC3)CC2)(CCC1)C)C
Compound: Salfredin C1
SMILES: O=C1NC(=O)C=2C1=C(O)C3=C(O[C@@H](C3)[C@H](C(=O)O)C)C2
Compound: Luteusin C
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C)[C@@H]3[C@@H]4C(=O)O[C@@H](CC4(O[C@@]3(C1=O)C)O)C
Compound: Kutzneride 6
SMILES: ClC1=C(Cl)C=CC2=C1N[C@H]3N4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(N=CC(C5)O)C([C@@H](OC([C@H](NC([C@@H]4C[C@@]23O)=O)C6(CC6)C)=O)C(C)(C)C)=O)COC)[C@H](O)CC(=O)O
Compound: 7-(4-aminophenyl)-2,4-dimethyl-7-oxo-hept-5-enoic acid
SMILES: O=C(C1=CC=C(N)C=C1)/C=C/C(CC(C(=O)O)C)C
Compound: 2-acetamido-3-(2,3-dihydroxybenzoylthio)propanoic acid
SMILES: S(C(=O)C1=C(O)C(O)=CC=C1)C[C@H](NC(=O)C)C(=O)O
Compound: 3,12-dihydroxycadalene
SMILES: OC=1C(=CC2=C(C=CC(=C2C1)C)[C@H](CO)C)C
Compound: 2-Pyrrolylcarbonyl alpha-L-rhamnopyranoside
SMILES: O=C(OC1OC(C(O)C(C1O)O)C)C=2NC=CC2
Compound: 2,16-dihydroxybenzo[j]fluoranthene
SMILES: OC=1C=2C(=C3C=4C=5C(=C(O)C=CC5C3=CC2)C=CC4)C=CC1
Compound: Versicolactone A
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)CC(=O)C)C(=C1O)C3=CC=C(OC)C=C3
Compound: Tasiamide A
SMILES: O=C(OC)[C@H]1N(C(=O)[C@H](N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)[C@H](CC)C)CC(C)C)C)CCC(=O)N)[C@H](CC)C)C)CC2=CC=CC=C2)CCC1
Compound: Rel-(8R)-9-hydroxy-8-methoxy-18-epi-fumitremorgin C
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@H](OC)C=4C5=C(C=C(OC)C=C5)NC4[C@H]3C=C(C)C)CCC2
Compound: Investienol
SMILES: O[C@]1([C@@H]2[C@@H]([C@H](C)CC2)C[C@H](CC1)C(CO)C)C
Compound: P-hydroxyphenylthaxtomin A
SMILES: O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC=C(O)C=C4)N(C3=O)C)C)=CC=C1
Compound: Boletocrocin G
SMILES: O=C(N[C@H](C(=O)O)[C@H](CC)C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@H](C(=O)O)CCC(=O)N
Compound: 5-sec-Butyl-3-methoxy-2-methylpyrazine
SMILES: O(C1=NC(=CN=C1C)[C@H](CC)C)C
Compound: methoxy-xanthocillin X dimethylether
SMILES: O(C1=C(OC)C=CC(=C1)/C=C(\[N+]#[C-])/C(/[N+]#[C-])=C/C2=CC=C(OC)C=C2)C
Compound: lanostane
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Compound: Deoxyactagardine B
SMILES: S1[C@H]([C@H]2NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]3NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC([C@@H](NC([C@@H](CSC3)N)=O)CO)=O)CC=4C5=C(C=CC=C5)NC4)C(C)C)[C@@H](SC[C@H](NC([C@@H](NC([C@@H](NC2=O)[C@@H](CC)C)=O)CCC(=O)O)=O)C(=O)NCC(N[C@@H]6C(N[C@H](C(N[C@H](C(N[C@@H](C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CS[C@H]6C)C)=O)C(C)C)=O)CC(C)C)=O)=O)C)CC(C)C)C
Compound: 20-hydroxylucidenic acid F
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)C)C(O)(CCC(=O)O)C)C
Compound: Epicoccin K
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)CC[C@@H]([C@H]5C2)O)C
Compound: Nodulisporin G
SMILES: O=C(C1=C(O)C(=CC=C1O)[C@@H]2C3=C(O[C@H](C2)C)C=CC=C3O)CC(O)C
Compound: (3S)-3beta-(3-Furyl)-4alpha-hydroxy-7alpha,5alpha-(epoxymethano)-5-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzopyran-1,10-dione
SMILES: O=C1O[C@@H](C2=COC=C2)[C@H](O)C3=C1C[C@H]4OC([C@@]3(C4)C)=O
Compound: LMA-P3
SMILES: O=C(OC)C(O)C(O)CC(O)CCCCCCCC
Compound: Amycomycin C
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=CC3)C4=C(O[C@@H]5O[C@H]([C@@H](O)[C@H]([C@H]5O)O)C)C=C(C)C=C4C=C2O[C@@H]6O[C@H]([C@@H](O)[C@H]([C@H]6O)O)C
Compound: Saptomycin B
SMILES: O=C1C2=C(O)C(=CC(=C2C(=O)C=3C1=C4OC(=CC(C4=C(C)C3)=O)C(CC=CC)C)C5OC(C(O)C(C5)N(C)C)C)C6OC(C(O)C(C6)(N(C)C)C)C
Compound: Spicifernin
SMILES: O=C(OC)C(C(=O)CC(C(=O)O)C(C(=O)C)C)(CC)C
Compound: Maniwamycin A
SMILES: O=C([C@@H](/N=[N+](\[O-])/C=C/CCCC)C)C
Compound: Penicibilaene A
SMILES: O[C@]1([C@@H]2[C@]3([C@@H](C)C[C@H]2O)CC=C([C@H](C1)C3)C)C
Compound: 2-hydroxytorularhodin
SMILES: O=C(O)/C(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(CC[C@H](C1(C)C)O)C)\C)\C)/C)/C)/C)/C
Compound: Dihydrosporogen AO-1
SMILES: O1[C@@]2(C(=C)C)[C@@H](O)C=C3[C@]([C@@H]12)([C@H]([C@H](O)CC3)C)C
Compound: Terrestrol B
SMILES: ClC1=C(O)C(=CC(=C1)O)COCC2=C(O)C=CC(=C2)O
Compound: 1-(1-b-Glucopyranosyl)-3-(methoxymethyl)-1H-indole
SMILES: O1C(N2C3=C(C=CC=C3)C(=C2)COC)C(O)C(O)C(C1CO)O
Compound: Neocosmosin C
SMILES: O=C1O[C@@H](CCCC(=O)CCCC(CC=2C1=C(O)C=C(OC)C2)=O)C
Compound: Boletinin J
SMILES: O=C(OC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C(=O)O)\C)\C)\C)\C)/C(=C/C(=O)O)/C
Compound: (2E,4E)-5-[2-[(1E,3E,5E,7E)-nona-1,3,5,7-tetraenyl]phenyl]penta-2,4-dienoic acid
SMILES: O=C(O)/C=C/C=C/C1=C(C=CC=C1)/C=C/C=C/C=C/C=C/C
Compound: 1-hydroxy-6,8-dimethoxy-3-methylxanthone
SMILES: O=C1C2=C(OC3=C1C(O)=CC(=C3)C)C=C(OC)C=C2OC
Compound: Chlorotonil A
SMILES: ClC1(Cl)C(=O)[C@@H](C(=O)O[C@H](C=CC=C[C@H]([C@H]2[C@@H](C1=O)[C@H]3[C@@H](CC(C)=C[C@H]3C)C=C2)C)C)C
Compound: Tajixanthone ethanolate
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)C[C@H](O)C(OCC)(C)C
Compound: CJ-13,982
SMILES: O=C(O)C(O)(C(C(=O)O)CCCCCCCCCCCC)CC(=O)O
Compound: (2S)-2-[(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid
SMILES: O=C1N([C@H](C(=O)O)CC(C)C)CC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)[C@@H](C5)O)(C)C)CC[C@H]4C)C)C3
Compound: Xylaranone
SMILES: O=C1[C@H]([C@H]2C[C@@H](C(=C)C)CC[C@@]([C@H]2C1)(O)C)C
Compound: Macrocidin A
SMILES: O=C1N[C@H]2CC3=CC=C(OC[C@H]4[C@H](CCC[C@H](C(=C1C2=O)O)C)O4)C=C3
Compound: Korormicin
SMILES: O=C1OC(CC)(C)C=C1NC(=O)CC(O)/C=C\C=C\CC2OC2CCCCCCCC
Compound: 2-methyl-2,5,6-bornantriol
SMILES: O[C@]1([C@]2(C(C)(C)[C@@H](C1)[C@@H]([C@@H]2O)O)C)C
Compound: MSD-819
SMILES: ClC1=CC2=[N+]([O-])C=C(C(=O)O)[N+](=C2C=C1)[O-]
Compound: Macrolactin L
SMILES: O=C1OC(CCCC(O)C=CC2C(O)CC(O)CC2C=CC=CCC=CC=C1)C
Compound: 7-deoxy-cytochalasin Z9
SMILES: O=C1O[C@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=CC[C@@H](C[C@@](C=C1)(O)C)C)C)CC4=CC=CC=C4
Compound: (24S)-ergost-7-ene-3beta, 5alpha, 6beta, 9alpha-tetrol
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](CC[C@@H](C(C)C)C)C)CC4)(C)CC2
Compound: Desmethyldestruxin B2
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)=O)CC)=O)CCC2)=O)C)C
Compound: Cephalanone D
SMILES: O=C1C2=C(O[C@@H](C3=C1C=CC=C3OC/C=C(/C(=O)O)\C)OC)C=C(C)C=C2O
Compound: (1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,24R)-23,24-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one
SMILES: O=C1O[C@@H](CCCC=C[C@@H]2O[C@@H](CC=CC=C[C@@H](CC=CC=C1)O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C[C@H]([C@H]2O)O)C
Compound: Tryptoquivaline S
SMILES: O=C1N2C3=C(C=CC=C3)[C@@]([C@@H]2N(C1(C)C)O)(O)CC(NC(=O)C4=C(NC(=O)C(O)C(C)C)C=CC=C4)C(=O)OC
Compound: LA-1
SMILES: O=C([O-])C=C[CH+]C=CC=CC(=O)C
Compound: Lichenysin-G2a
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)N)CCCCCCC(CC)C
Compound: Monactin
SMILES: O=C1OC(CC2OC(C(C(=O)OC(CC3OC(C(C(=O)OC(CC4OC(C(C(OC(CC5OC(C1C)CC5)C)=O)C)CC4)C)C)CC3)C)C)CC2)CC
Compound: 2-Demethylmonensin A
SMILES: O=C(O)C[C@H](OC)[C@@H]([C@H]1OC2(O[C@@]([C@@H]3O[C@@]([C@@H]4O[C@@H]([C@H]5O[C@](O)([C@H](C)C[C@@H]5C)CO)C[C@@H]4C)(CC)CC3)(C)CC2)C[C@@H]([C@H]1C)O)C
Compound: 4-desmethylepothilone D
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCCC(=CC2)C)C)C)C)\C)C
Compound: Drimiopsin I
SMILES: O=C1C2=C(OC3=C1C(=CC(=C3OC)O)C)C=C(O)C=C2O
Compound: Monacyclinone D
SMILES: O=C1OC2=C3C(=O)C4=C(C(O)=C([C@@H]5O[C@H]([C@@H](N(C)C)CC5)C)C=C4)C(C3=CC=C2C[C@](C1)(O)C)=O
Compound: Chrysogenamide A
SMILES: O=C1N[C@]23C(C(C)(C)[C@]4(C2)C(=O)NC5=C4C=CC=C5CC=C(C)C)C[C@]16N([C@H](CCC6)C)C3
Compound: 4-(methoxymethyl)-7-methoxy-6-methyl-1(3H)-isobenzofuranone
SMILES: O=C1OCC=2C1=C(OC)C(=CC2COC)C
Compound: Shikimeran A
SMILES: O=C(OC)C1=C[C@@H](O)[C@H](OC(=O)C)CC1
Compound: 2-(Pentadecanoylamino)-3-methylbutyric acid 2-deoxy-2-(butyrylamino)-alpha-D-glucopyranosyl ester
SMILES: O=C(O[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1NC(=O)CCC)O)CO)C(NC(=O)CCCCCCCCCCCCCC)C(C)C
Compound: 6beta,11,12-trihydroxytremul-1(10)-ene
SMILES: O[C@]1([C@H]2C(=CC(C2)(C)C)[C@@H](CO)[C@H](CC1)CO)C
Compound: (5S) 5-hydroxylasiodiplodin
SMILES: O=C1O[C@H](C[C@@H](O)CCCCCC=2C1=C(OC)C=C(O)C2)C
Compound: Marinobactin E
SMILES: O=C1NCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CO)NC(C(C1O)NC(=O)CCCCCCCCCCCCCCC)=O
Compound: Lolitrem N
SMILES: O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68OC8[C@H](O)[C@H](O7)C(O)(C)C)C)O)C=C2)C[C@H]9[C@@H]1C(OC9(C)C)(C)C
Compound: (6RS,10RS)-6,10-dimethylbicyclo[4.4.0]decan-3-ol
SMILES: OC1CC2[C@@](CCC[C@H]2C)(C)CC1
Compound: Habetaallidin A
SMILES: O=C/1NC(C(=O)NCC(=O)N(C(C(=O)NC(C(=O)OC(C(C(NC(C(N[C@@H](C(N\C1=C/C)=O)CC2=CC=C(O)C=C2)=O)C(O)C)=O)NC(=O)C(NC(=O)C(O)C(O)CCCCCCCCCCC)C(O)C)C)CCC(=O)N)C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)C)C)CCC(=O)N
Compound: Cinnabaramide C
SMILES: O=C1N[C@]2(C(=O)O[C@]2([C@H]1CCCCCC)C)C[C@@H]3C=CCCC3
Compound: Trichogin A IV
SMILES: O=C(NCC(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)[C@H](CC)C)C(NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)C(NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)CCCCCCC)(C)C)CC(C)C)(C)C)CC(C)C)(C)C
Compound: Fuscoatramide
SMILES: O=C(NCCCC(=O)O)/C=C(\CCO)/C
Compound: Pestalotether C
SMILES: ClC1=C(OC2=C(C(O)=CC(=C2)C)C(=O)OC)C(O)=C(C(=O)OC)C=C1OC
Compound: Butyl ganoderate A
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)C[C@H](C(=O)OCCCC)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: Metatacarboline B
SMILES: O=C(N[C@H](C(=O)O)CCC(=O)N)C1=NC(=C2NC3=C(C2=C1)C=CC=C3)CCC(=O)N4[C@H](C(=O)O)CCC4
Compound: QN-Quinomycin A
SMILES: S1C(SC)C2N(C(=O)C(NC(=O)C(NC(=O)C=3C=NC4=CC=CC=C4C3)COC(C(N(C(C(C1)N(C(=O)C(NC(=O)C(NC(=O)C=5C=NC6=CC=CC=C6C5)COC(C(N(C2=O)C)C(C)C)=O)C)C)=O)C)C(C)C)=O)C)C
Compound: [(7S,8S)-7-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate
SMILES: O=C1C=C2C(=COC(=C2)/C=C/C)[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Compound: Mycoleptone B
SMILES: O=C1OC(CC=2C1=C(O)C(=C(O)C2C)CC3=C4C(=COC(=C4)C)[C@H](O)[C@](C3=O)(O)C)C
Compound: 1-Phenylhept-3-en-4-one
SMILES: O=C(/C=C/CCC1=CC=CC=C1)CC
Compound: Herqueidiketal
SMILES: O=C1C2=C(C(O)=C(OC)C3=C2[C@]4(O[C@H](C)C([C@@]4(O)O3)(C)C)O)C(=O)C=C1C
Compound: 4'-hydroxy-3'-methoxy-(S)-mitorubrin
SMILES: O=C1C=2C(C=C(/C=C/C)OC2)=CC([C@@]1(OC(=O)C3=C(OC)C(O)=C(O)C=C3C)C)=O
Compound: Pamamycin-593
SMILES: O=C1O[C@@H]([C@@H]([C@@H]2O[C@H](C[C@H](N(C)C)CCC)CC2)C)C[C@H]3O[C@@H]([C@H](C(=O)O[C@H](C[C@H]4O[C@@H]([C@@H]1C)CC4)CCC)C)CC3