MonarchInit/C3PO huggingface dataset:
Compound: Sancti C
SMILES: O=C(OC)C1=C(O)C2=C(OC(C)=C[C@@]2([C@@H]3[C@@]4(OC=5C=C(C)C(=C(C5[C@H]3C=6C(O)=CC(=CC6O4)C)O)C(=O)OC)C)C)C=C1C
Compound: Thioamycolamide E
SMILES: S1[C@H](CC(=O)N[C@H](C=2SC[C@H](C(N[C@@H](C1)CO)=O)N2)CC3=CC=CC=C3)CCC(O)(C)C
Compound: Phosmidosine
SMILES: P(=O)(OC[C@H]1O[C@@H](N2C(=O)NC=3C2=NC=NC3N)[C@@H]([C@@H]1O)O)(OC)NC(=O)[C@H]4NCCC4
Compound: 4-(4'-(2'-methoxy-4'-sulfoxy-3',5',6'-trimethylbenzoyloxy)-2'-hydroxy-3',5',6'-trimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoic acid
SMILES: S(=O)(=O)(OC1=C(C(OC)=C(C(=O)OC2=C(C(O)=C(C(=O)OC3=C(C(OC)=C(C(=O)O)C(=C3C)C)C)C(=C2C)C)C)C(=C1C)C)C)O
Compound: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,3-dimethyl-2-(methylamino)butanamide
SMILES: O=C(N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N)C(C)C)C)CC1=CC=CC=C1)C)C(C)C)C)C(C)C)C)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC)C(C)C)C)C(C)C)C)C(C)C
Compound: Epicoccarine A
SMILES: O=C/1N[C@@H](CC2=CC=C(O)C=C2)C(\C1=C(\O)/[C@H](C[C@H](C/C(=C/CC)/C)C)C)=O
Compound: Chartspiroton
SMILES: O=C1C2=C(C(O)=CC=C2)C(=O)[C@@]3([C@]1(O)C(=O)OC)OC(=O)C=4C3=C(O)C=CC4C
Compound: 5-methoxy-1,3-dihydroisobenzofuran-4,7-diol
SMILES: O1CC=2C(O)=C(OC)C=C(C2C1)O
Compound: Manumycin D
SMILES: O=C1C(NC(=O)/C(=C/C(=C/C(CCCC)C)/C)/C)=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H](C1)O
Compound: Cladosporin 8-O-alpha-ribofuransoide
SMILES: O=C1O[C@H](CC=2C1=C(O[C@H]3O[C@H](CO)[C@H]([C@H]3O)O)C=C(O)C2)C[C@@H]4O[C@H](CCC4)C
Compound: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-aminobutylamino)-3-methyl-1-oxobutan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,3-dimethyl-2-(methylamino)butanamide
SMILES: O=C(N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCCCN)C(C)C)C)CC1=CC=CC=C1)C)C(C)C)C)C(C)C)C)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC)C(C)C)C)C(C)C)C)C(C)C
Compound: Anaenoic acid
SMILES: O=C(O[C@@H](C(=O)O[C@H](C(=O)O)C)[C@H](CC)C)C1=C(OC)C=CC=C1CCCCC
Compound: Pyrrolizixenamide C
SMILES: O=C1C=C(NC(=O)CCCCCCC)N2[C@H]1CCC2
Compound: 1,3-dihydroisobenzofuran-4,5,7-triol
SMILES: O1CC=2C(O)=C(O)C=C(C2C1)O
Compound: Arglecin
SMILES: O=C1NC(=CN=C1CC(C)C)CCCN=C(N)N
Compound: Oblongolide S
SMILES: O=C(O)[C@]1([C@](O)(C=C[C@@H]2[C@@H]1CC[C@@H](C2)C)CO)C
Compound: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-aminobutylamino)-3-methyl-1-oxobutan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
SMILES: O=C(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)NCCCCN)C(C)C)C)CC1=CC=CC=C1)C)C(C)C)C)C(C)C)C(C)C)C)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C)C)C(C)C
Compound: (Heptadeca-8,11-dienyl)-3,6-dihydroxy-1,4-benzoquinone
SMILES: O=C1C(O)=CC(=O)C(=C1CCCCCCC/C=C\C/C=C\CCCCC)O
Compound: Anaenamide A
SMILES: Cl/C(/C(=O)OC)=C\CNC(=O)[C@@H](OC(=O)[C@H](OC(=O)C1=C(OC)C=CC=C1CCCCC)[C@H](CC)C)C
Compound: 3-hydroxysperadine A
SMILES: O=C1N2C([C@@H]3CC=4C=CC=C5C4[C@]([C@@H]3[C@H]2C(=C1C(=O)C)O)(O)C(=O)N5C)(C)C
Compound: (1'S)-6-O-methyl-7-bromoaverantin
SMILES: BrC1=C(O)C=2C(=O)C3=C(O)C(=C(O)C=C3C(C2C=C1OC)=O)[C@@H](O)CCCCC
Compound: Penicidone C
SMILES: O=C1C(C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC)=CNC(=C1)/C=C/C
Compound: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-aminobutylamino)-3-methyl-1-oxobutan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
SMILES: O=C(N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCCCN)C(C)C)C)CC1=CC=CC=C1)C)C(C)C)C)C(C)C)C)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C)C)C(C)C)C)C(C)C
Compound: Anaenamide B
SMILES: Cl/C(/C(=O)OC)=C/CNC(=O)[C@@H](OC(=O)[C@H](OC(=O)C1=C(OC)C=CC=C1CCCCC)[C@H](CC)C)C
Compound: Sarcopodinol A
SMILES: O=C(C1=C(O)C(O)=C(CCCC)C(=C1)O)CCC[C@@H](O)C
Compound: Xylapyrone F
SMILES: O=C1OC(=CC(=C1)OC)CCCO
Compound: Chandrananimycin E
SMILES: O=C(N1C2=C(OC3=C1C=C(CO)C=C3)C=C(O)C(=C2)NC(=O)CO)CO
Compound: Flavocristamide A
SMILES: S(=O)(=O)(O)C[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCCC(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
Compound: Penicimeroterpenoid A
SMILES: O=C1[C@](O)(C(=O)[C@H]2C(=C([C@]1(C(=O)OC)[C@@]3([C@@H]2[C@@]45C(=O)O[C@@H](C3)[C@@H]4C([C@@H](OC(=O)C)CC5)(C)C)C)C)C)C
Compound: Stemphyltoxin I
SMILES: O=C1C2=C(O)C=CC3=C2[C@H]([C@]4(O)[C@@H](O)CC(C=5C4=C3C=CC5O)=O)[C@@H]6[C@H]1O6
Compound: (+)-5(6)-dihydro-6-hydroxyterrecyclic acid A
SMILES: O=C1[C@@H]([C@@]23[C@@H](C(=O)O)CC[C@@H]([C@@H]2C1)C(C3)(C)C)CO
Compound: Sarcopodinol B
SMILES: O=C(C1=C(O)C(O)=C(CCCC)C(=C1)O)CCCCC
Compound: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
SMILES: O=C(N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N)C(C)C)C)CC1=CC=CC=C1)C)C(C)C)C)C(C)C)C)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C)C)C(C)C)C)C(C)C
Compound: Aspernolide F
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)CC=C(C)C)C(=C1OCC)C3=CC=C(O)C=C3
Compound: Pestalafuranone J
SMILES: O=C1OCC(=C1C=CC)C=CCCO
Compound: 6-nonyl-2H-pyran-2-one
SMILES: O=C1OC(=CC=C1)CCCCCCCCC
Compound: Penicimeroterpenoid B
SMILES: O=C1O[C@H]2C[C@]3([C@H]([C@]14[C@H]2C([C@@H](OC(=O)C)CC4)(C)C)C=C([C@]5([C@@](O)(C)C([C@@]35C(=O)OC)=O)C)C)C
Compound: Alterbrabetaicicene A
SMILES: O=C1C(=C2C[C@H]3[C@H](C)[C@H]4C(=C[C@@]([C@@]12C)(O3)O)[C@](O)(CC4)COC)C(C)C
Compound: 6-hydroxypunctaporonin A
SMILES: O[C@]12C(C[C@@H]1[C@]3(C=C[C@H]([C@]3(C[C@@H]2O)C)O)CO)(C)C
Compound: Dragonamide B
SMILES: O=C(N([C@H](C(=O)N([C@H](C(=O)N)C(C)C)C)C(C)C)C)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@H](CCCCC#C)C)C)C(C)C)C)C(C)C
Compound: 7 alpha,12alpha-Dihydroxy-3-ketocholanic acid
SMILES: O=C1CC2[C@](C3C(C4[C@](C([C@@H](CCC(=O)O)C)CC4)(C)[C@H](C3)O)[C@@H](C2)O)(C)CC1
Compound: (E)-2-(hept-2-en-1-yl)quinolin-4(1H)-one
SMILES: O=C1C2=C(NC(=C1)C/C=C/CCCC)C=CC=C2
Compound: Penicimeroterpenoid C
SMILES: O=C1O[C@H]2C[C@]3([C@H]([C@]14[C@H]2C([C@@H](OC(=O)C)CC4)(C)C)C=C([C@]5(C(=O)[C@]([C@@]35C(=O)OC)(O)C)C)C)C
Compound: N-formylglycine
SMILES: OC(=O)CNC(=O)[H]
Compound: Aranazole A
SMILES: ClC([C@H]1O[C@@H]1/C=C\C(Cl)CC(Cl)CC)C(Cl)C(Cl)CC2OCO[C@H](C2C)C(O)C=3SC=C(N3)C(=O)C
Compound: Alterporriol Q
SMILES: O=C1C2=C(C(O)=C(C)C=C2C(=O)C=3C1=C(O)C=C(OC)C3)C4=C(O)C=5C(=O)C6=C(C=C(C)C(=C6)O)C(C5C=C4OC)=O
Compound: (7S,11S,12S,14R)-4',14-dimethoxyamentol
SMILES: O1C(=C[C@@]2(CCC[C@@]2([C@]13OC(C)(C)[C@@H](C3)OC)C)C)C/C(=C/CC4=C(O)C(=CC(=C4)OC)C)/C
Compound: Guanahanolide A
SMILES: O=C1C2=C(OC)C=C(OC)C=C2[C@@H]([C@H](O)/C=C(/CC[C@]3([C@H]4[C@H]5[C@]([C@@H](O)C[C@@H]([C@H]5C[C@@H]3C)C(=C)C)(CCC4)C)C)\C)CC1
Compound: Mabetaetolide B
SMILES: O=C1OC([C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C[C@@H](O)CCCCCCCC)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(CC)C)=O)CO)=O)CC(C)C)=O)CO)CC(C)C)C(CC)C)C
Compound: (E)-2-(non-2-en-1-yl)quinolin-4(1H)-one
SMILES: O=C1C2=C(NC(=C1)C/C=C/CCCCCC)C=CC=C2
Compound: Aranazole B
SMILES: ClC(/C=C\C(Cl)CC(Cl)CC)C(O)C(Cl)C(Cl)C(Cl)CC1OCO[C@H](C1C)C(O)C=2SC=C(N2)C(=O)C
Compound: Acremofuranone B
SMILES: ClC1=C(O)C2=C(O)C(=C1C)C=C3C(=O)C(C)(C)O[C@@H]3C(=CCCC(=CC2)C)C
Compound: 3-epi-aureonitol
SMILES: O1[C@H](/C=C/C=C)[C@@H](O)[C@@H](C1)/C=C/C=C/C
Compound: Lanyamycin
SMILES: O=C1OC(C(OC)C=CC=CCC([C@H]([C@@H](C=C(C=C1OC)C)C)O)C)C/C=C(/C(=O)CC(O)C(C(=O)C(C(O)C(O)NC(=O)C(C(=O)C2=CC=CC=C2)CC)C)C)\C
Compound: 7a-Hydroxypaxilline
SMILES: O=C1C=C2[C@](O)(CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C)O[C@@H]1C(O)(C)C
Compound: Aranazole C
SMILES: ClC(/C=C\C(Cl)CC(Cl)CC)C(O)C(Cl)C(Cl)C(Cl)CC1OCO[C@H](C1C)C(OC)C=2SC=C(N2)C(=O)C
Compound: Terreuspyridine
SMILES: O=C1[C@@H](O)[C@@]2([C@@H](C(=O)OC)[C@@](C(=C)C[C@H]2[C@]3([C@H]1C(C=4N=CC=CC4C3)(C)C)C)(C(=O)[C@](O)(C(=O)OC)C)C)C
Compound: Metarhizin B
SMILES: O=C1OC(=C(C)C(=C1C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H]([C@]3(CCC=C(C)C)C)OC(=O)[C@H](O)C(C)C)C)O)C
Compound: Terreustoxin L
SMILES: O=C1O[C@@H](C(=O)[C@@]2([C@]1(C(=C)C[C@H]3[C@]4([C@@H](C(C(=O)CC4)(C)C)[C@H](C[C@]23C)O)C)C)C(=O)OC)C
Compound: Ulongamide C
SMILES: S1C2=NC(=C1)C(=O)N[C@@H]([C@H](C(=O)O[C@@H](C)C(N(C(C(N([C@H](C(N[C@H]2C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=C(O)C=C4)C)=O)C)CCC
Compound: Ushikulide B
SMILES: O=C1OC2C(C(OC3(C2)OC(C(C)CC3)CC(O)CC)CC(=O)C(=CCCCCC(C(CC(C(C(C(C=C1)C)O)C)O)O)(O)C)CC(C)C)C
Compound: Aranazole D
SMILES: ClC([C@H]1O[C@@H]1C(O)/C=C/CC(Cl)CC)C(Cl)C(Cl)CC2OCO[C@H](C2C)C(OC)C=3SC=C(N3)C(=O)C
Compound: 1-methoxy-2,4,5-trimethylbenzene
SMILES: O(C1=C(C=C(C)C(=C1)C)C)C
Compound: Spindomycin B
SMILES: O=C1C(O)=C([C@@]2(C(=O)N(C)C3=C2C=CC=C3)C4=C1CCC4)C
Compound: Isobutyl pentanoate
SMILES: O=C(OCC(C)C)CCCC
Compound: Strabetaeriolide A
SMILES: O=C1O[C@H]([C@H](C(=O)O)C)CC[C@@H](C[C@H](C=C(C)C(CC[C@H](C=C(C[C@@H]1C)C)C)=O)C)C
Compound: AB023
SMILES: O=C1OC(C(C=CC=CC=CC=CC=CC(O)C(C(CC(CC(CCCC(CC(C1C)O)O)O)O)O)C)C)C
Compound: Anthranoside A
SMILES: O=C(O)C1=C(NC[C@@]2(O[C@H](CO)[C@H]([C@@H]2O)O)OC)C=CC=C1
Compound: Islandoquinone
SMILES: O=C1C2=C(O)C(O[C@@]3(C(=O)C(=O)C=4C(O)=C(O)C=C(C4C3=O)O)CC)=C(CC)C(=C2C(O)=CC1=O)O
Compound: Neoaspergillic acid
SMILES: OC1=[N+]([O-])C(=CN=C1CC(C)C)CC(C)C
Compound: 2-methylbutyl heptanoate
SMILES: O=C(OC[C@H](CC)C)CCCCCC
Compound: Strabetaeriolide B
SMILES: O=C1O[C@H]([C@H](C(=O)O)C)CC[C@@H](C[C@H](C=C(C)[C@@H](CC[C@H](C=C(C[C@@H]1C)C)C)O)C)C
Compound: Calothrixin B
SMILES: O=C1C2=C(C(=O)C3=C1NC=4C=CC=CC34)C=NC=5C2=CC=CC5
Compound: Anithiactin C
SMILES: S1C(=NC(=C1)C(=O)O)C2=C(NC)C=CC=C2
Compound: Gerronemin B
SMILES: OC1=C(O)C=CC=C1CCC/C=C\CCCCCCCC2=C(O)C(O)=CC=C2
Compound: Anthranoside B
SMILES: O=C(O)C1=C(NC[C@]2(O[C@H](CO)[C@H]([C@@H]2O)O)OC)C=CC=C1
Compound: Strabetaeriolide C
SMILES: O=C1O[C@H]([C@H](C(=O)O)C)CC[C@@H](C[C@H](C=C(C)[C@@H](CC([C@H](C=C(C[C@@H]1C)C)C)=O)O)C)C
Compound: 3-methylbutyl heptanoate
SMILES: O=C(OCCC(C)C)CCCCCC
Compound: Cotteslosin A
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(N[C@H](C(N[C@H]1C(C)C)=O)C(C)C)=O)CC3=CC=C(O)C=C3)CC4=CC=C(O)C=C4)C
Compound: Bauerine B
SMILES: ClC1=C(Cl)C=CC2=C1N(C=3C=NC=CC23)C
Compound: Gilvsin A
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H](O)CC(=C)C(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Anthranoside C
SMILES: O=C(O)C1=C(NC=2C3=C(C(C(=O)O)=CC=C3)NC2C[C@H](O)[C@H](O)CO)C=CC=C1
Compound: Strabetaeriolide D
SMILES: O=C1O[C@H]([C@H](C(=O)O)C)CC[C@@H](C[C@H](C=C(C)[C@@H](C[C@@H]([C@H](C=C(C[C@@H]1C)C)C)O)O)C)C
Compound: 2-methylbutyl pentanoate
SMILES: O=C(OC[C@H](CC)C)CCCC
Compound: Cordypyridone B
SMILES: O=C1N(O)C=CC(=C1[C@H]2[C@](C=C)(C[C@H](C)C[C@@H]2C)C)O
Compound: Palmaerin D
SMILES: BrC1=C(O)C=C(O)C2=C1C[C@@H](C)OC2=O
Compound: 2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid
SMILES: O=C(O)CN1C(=CC=C1CO)COC
Compound: Peniroquesine A
SMILES: O[C@H]1[C@@]2(C=C3[C@]4([C@H](CC[C@@H]4C)[C@H](C[C@H]3[C@@H]2[C@H]5C(C)(C)CC[C@]5(C1)C)O)C)C
Compound: R-xenofuranone B
SMILES: O=C1O[C@H](CC2=CC=CC=C2)C(=C1O)C3=CC=CC=C3
Compound: Ustethylin A
SMILES: O=CC1=C(O)C(=C(OC)C=C1CCO)CO
Compound: Elastatinal
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)N)C1NC(=NCC1)N)NC(C(=O)O)CC(C)C
Compound: Orirubenone B
SMILES: O=C(O)/C(=C/CC/C(=C/C(=O)C1=C(O)C=C(O)C(=C1)O)/C)/C
Compound: Hirsutanol D
SMILES: O=C1C(=C2[C@H]3[C@H](CC(C3)(C)C)[C@H]([C@]2(C1)C)O)C
Compound: Peniroquesine B
SMILES: O[C@H]1[C@@]2(C=C3[C@]4([C@H](CC[C@@H]4C)CC[C@H]3[C@@H]2[C@H]5C(C)(C)CC[C@]5(C1)C)C)C
Compound: Xenolindicin A
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCC)CCC(=O)N)CC(=O)N)CO)CCCCN)CCC(=O)O)[C@H](O)C
Compound: Bisaspochalasin A
SMILES: O=C1O[C@@H]2[C@@H]3O[C@](O)(C(=O)CCCC(=C[C@@H]4[C@@]15C(=O)N[C@H]([C@@H]5[C@H](C)C(=C4)C)CC(C)C)C)C[C@@H]2CC(=O)[C@@]67C(=O)N[C@H]([C@@H]6[C@H](C)C(=C[C@@H]7C=C(CC3)C)C)CC(C)C
Compound: Cryptophycin-49
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)CCC)[C@@H](/C=C/C3=CC=CC=C3)C
Compound: Setosol
SMILES: O1C(=CC(OC)=CC(=CC=2C1=C(O)C(O)=CC2C)O)C
Compound: Enantio-flavipesin B
SMILES: O=C1O[C@@](C(=O)OC)(CC2=CC=CC=C2)C(=C1O)C3=CC=CC=C3
Compound: Valyl-respirantin
SMILES: O=C1O[C@H](C(=O)O[C@@H]([C@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)C(=O)O[C@@H](C)C(O[C@H](C(N[C@H](C(C1(C)C)=O)CC(C)C)=O)C(CC)C)=O)C)C(C)C
Compound: Peniroquesine C
SMILES: O[C@H]1[C@@]2(C=C3[C@]4([C@H](CC[C@@H]4C)CC[C@H]3[C@@H]2[C@H]5C(C)(C)CC[C@]5(C1)CO)C)C
Compound: Bisaspochalasin B
SMILES: S([C@H]1C(=O)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C)CC[C@H](C(C1)=O)O)C)CC(C)C)[C@H]4C(=O)[C@@]56C(=O)N[C@H]([C@@H]5[C@H](C)C(=C[C@@H]6C=C(C)CC[C@H](C(C4)=O)O)C)CC(C)C
Compound: S-3-hydroxy-4,5-diphenylfuran-2(5H)-one
SMILES: O=C1O[C@@H](C2=CC=CC=C2)C(=C1O)C3=CC=CC=C3
Compound: Ustusolate A
SMILES: O=C(O[C@@H]1C=C([C@](O)(CO)[C@@]2([C@@H]1C(CCC2)(C)C)C)CO)/C=C/C=C/C=C/C
Compound: 1,5-dihydroxy-2,4,6-trichloro-7-methylxanthone
SMILES: ClC1=C(O)C=2OC3=C(C(O)=C(Cl)C=C3Cl)C(C2C=C1C)=O
Compound: Episarcoviolin beta
SMILES: O=C1C(O)=C(C(=O)C(=C1C2=CC=3O[C@]4([N@@+]([O-])(C(O)=C([C@H](CC)C)N(C4=O)O)OC3C=C2)[C@@H](CC)C)O)C5=CC=C(O)C=C5
Compound: Streptoglyceride A
SMILES: O1[C@]2(OC[C@@]3([C@H]2[C@@H](OC3)CC1)O)CC/C=C/C=C/C
Compound: Bisaspochalasin C
SMILES: S([C@H]1C(=O)[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C(C([C@@H]3C=C(C)CC[C@H](C(C1)=O)O)OO)C)CC(C)C)[C@H]4C(=O)[C@@]56C(=O)N[C@H]([C@@H]5[C@H](C)C(=C[C@@H]6C=C(C)CC[C@H](C(C4)=O)O)C)CC(C)C
Compound: Phochrodine A
SMILES: O=C(O)C1=C2C3=NC(=CC=C3COC2=CC(=C1)O)C
Compound: Neolymphostinol B
SMILES: O=C(NC=1C=2NC(C(=O)CCO)=CC=3C2C(=NC3)C(C1)=N)CC
Compound: Thioholgamide A
SMILES: S=C(NC(C(=S)NC(C(=O)NC(C(=S)NC(C(=S)NC(C(=O)NC1C(=O)NC(C(=O)NC(C(=O)NC(CC2=CC=CC=C2)C(NC(C(NC=CSC1C)=O)C(O)C=3N(C=[N+](C3)C)C)=O)C)C(C)C)C)C)C)C)CCSC)C(NC(=O)C(=O)C)C(C)C
Compound: Marinobactin-D2
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)CCCCC/C=C\CCCCCCCC)=O
Compound: Streptoglyceride B
SMILES: O1[C@]2(OC[C@@]3([C@H]2[C@@H](OC3)CC1)O)/C=C/C=C/C=C/C
Compound: Clostyrylpyrone A
SMILES: O=C1OC(=C2C(=O)O[C@@H](C2=C1)C)C=CC3=CC(O)=C(O)C(=C3)O
Compound: Phochrodine B
SMILES: O=C(OC)C1=C2C3=NC(=CC=C3COC2=CC(=C1)O)C
Compound: Corallorazine B
SMILES: O=C(OC)C(NC(=O)/C=C/C=C\CC(C)C)=C
Compound: Arugosin G
SMILES: O=C1C2=C(O[C@@H](C=3C1=C(O)C=C(C)C3OCC=C(C)C)O)C(=CC(=C2O)CC=C(C)C)CC=C(C)C
Compound: Streptoglyceride D
SMILES: O=C(O[C@@]12[C@@H]3[C@](OCC[C@@H]3OC1)(/C=C/C=C/C=C/C)OC2)C4=C(N)C=CC=C4
Compound: Clostyrylpyrone B
SMILES: O=C1OC(=C2C(=O)O[C@@H](C2=C1)C)C=CC3=C(O)C=C(O)C(=C3)O
Compound: Territrem D
SMILES: O=C1OC(C2=CC(OC)=C(OC)C(=C2)O)=CC3=C1C[C@]4(O)[C@]5(C(=O)C=CC([C@]5(O)CC[C@]4(O3)C)(C)C)C
Compound: Phochrodine C
SMILES: O=C(O)C1=C2C3=NC(=CC=C3COC2=CC(=C1)OC)C
Compound: Kutzneride 2
SMILES: ClC1=C(Cl)C=CC2=C1N[C@H]3N4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(NC[C@@H](C5)Cl)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: Streptoglyceride C
SMILES: O=C(O[C@@]12[C@@H]3[C@](OCC[C@@H]3OC1)(CC/C=C/C=C/C)OC2)C4=C(N)C=CC=C4
Compound: 20,25-dihydroxyaflavinine
SMILES: O[C@H]1[C@@]2([C@]3([C@H](C(=C([C@@H](CO)C)CC3)C=4C5=C(C=CC=C5)NC4)[C@@H](C1)C)[C@@H](O)CC[C@H]2C)C
Compound: Clostyrylpyrone C
SMILES: O=C1OC(=C2C(=O)OC(C2=C1)=C)C=CC3=CC(O)=C(O)C(=C3)O
Compound: Hamigeran L
SMILES: BrC1=C(O)C(=C([C@@H]2[C@@](CC[C@@H]2C(C)C)(CC(=O)O)C)C=C1C)C(=O)O
Compound: Phochrodine D
SMILES: O=C(O)C1=C2C(OCC=3C2=NC(=CC3)C)=C(O)C(=C1)OC
Compound: Fumonisin C3
SMILES: O=C(O)C(CC(=O)OC(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(O)CCCCCCC(O)CN)C)C(CCCC)C)CC(=O)O
Compound: Alternapyrone B
SMILES: O=C1OC(=C(C)C(=C1C)O)C(CC(=CC(=CC(C(=O)O)CCCC(=CC(CC)C)C)C)C)C
Compound: Clostyrylpyrone D
SMILES: O=C1OC(=C2C(=O)OC(C2=C1)=C)C=CC3=C(O)C=C(O)C(=C3)O
Compound: CJ-16,174
SMILES: O=C1C(C2=CC=CC=C2)=CNC3=C1C([C@@H](/C(=C/C)/C)O3)(CO)CO
Compound: Azacoccone A
SMILES: O=C1N(CC=2C1=C(C(O)=C(O)C2O)C)CCCCC(=O)OC
Compound: (+)-(S)-Dihydroaeruginoic acid
SMILES: S1C(=N[C@H](C1)C(=O)O)C2=C(O)C=CC=C2
Compound: Iso-alpha-cyclopiazonic acid
SMILES: O=C1N2C([C@@H]3CC=4C=CC=C5C4C([C@@H]3[C@@H]2C(=C1C(=O)C)O)=CN5)(C)C
Compound: Azacoccone B
SMILES: O=C1N(CC=2C1=C(C(O)=C(O)C2O)C)CCCC(=O)OC
Compound: Zelkovamycin C
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N[C@](C(=O)NCC(=O)N[C@@H](C(N\C(\C(N(CC(N[C@@H]2C)=O)C)=O)=C/C)=O)CC)(C(=O)C)C)CC=3C4=C(OC)C(O)=CC=C4NC3
Compound: Alternapyrone C
SMILES: O=C1OC(=C(C)C(=C1C)O)C(CC(=CC(=CC(CO)CCCC(=CC(CO)CC)C)C)C)C
Compound: Hypomurocin A-3
SMILES: O=C(N1C(C(=O)NC(CO)CC(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CCC(=O)N)C(C)C)CC(C)C)(C)C)CCC2)CC(C)C)C(CC)C)(C)C
Compound: Vibralactone acetate
SMILES: O=C1O[C@H]2CC(=C[C@@]12CC=C(C)C)COC(=O)C
Compound: Azacoccone D
SMILES: O=C1N(CC=2C1=C(C(O)=C(OC)C2O)C)CCC(=O)OC
Compound: Alternapyrone D
SMILES: O=C1OC(=C(C)C(=C1C)O)C(CC(=CC(=CC(C(=O)O)CCCC(CO)CC(O)(CC)C)C)C)C
Compound: Zelkovamycin B
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N[C@@]3(C(=O)N(CC(=O)N[C@@H](C(N\C(\C(N(CC(N[C@@H]2C)=O)C)=O)=C/C)=O)CC)[C@H](C3=O)O)C)CC=4C5=C(OC)C=CC=C5NC4
Compound: Asperfumigatin
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)N(C4[C@@H]3C(O)(C)C)C(=O)C=C(C)C)CCC2
Compound: Rhodostreptomycin A
SMILES: O=C1O[C@]2([C@@H](O[C@@H]3O[C@H]([C@H](O)[C@H]([C@@H]3NC)O)CO)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@H]([C@@H]4N=C(N)N)O)O[C@@H]2C)[C@@H](N1)O
Compound: Monaschromone
SMILES: O=C1O[C@H](CC=2C1=C(O)C(=C(O)C2)C)C
Compound: Alternapyrone E
SMILES: O=C1OC(=C(C)C(=C1C)O)C(CC(=CC(=CC(C(=O)O)CCC[C@]2(O[C@@H](C)C(=C2)C)CO)C)C)C
Compound: Azacoccone E
SMILES: O=C1N([C@H](C(=O)OC)C)CC=2C1=C(C(O)=C(O)C2O)C
Compound: Colletoic acid
SMILES: O=C(O)[C@@H]1[C@@]2([C@H](C(C)C)CC1)CC=C(C)[C@H](C2)O
Compound: Zelkovamycin E
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N[C@](C(=O)NCC(=O)N[C@@H](C(N\C(\C(N(CC(N[C@@H]2C)=O)C)=O)=C/C)=O)C)(C(=O)C)C)CC=3C4=C(OC)C=CC=C4NC3
Compound: BE-13793C
SMILES: O=C1NC(=O)C2=C1C3=C(NC4=C3C=CC=C4O)C5=C2C6=C(C(O)=CC=C6)N5
Compound: Malolactomycin A
SMILES: O=C1OC(C(C=CC=CC(O)C(C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C(CC=C(C(C1C)O)C)O)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(C/C(=C/CCCCCNC(=NC)NC)/C)C
Compound: Azacoccone C
SMILES: O=C1N(CC=2C1=C(C(O)=C(O)C2O)C)CCC(=O)OC
Compound: Alternapyrone F
SMILES: O=C1OC(=C(C)C(=C1C)O)C(CC(=CC(=CC(C(=O)O)CCC[C@]2(O[C@@H](C)C(=C2)CO)CO)C)C)C
Compound: 3R,5S-Sonnerlactone
SMILES: O=C1O[C@@H](C[C@@H](O)CCCC=2C1=C(O)C=C(O)C2)C
Compound: Nocarbenzoxazole E
SMILES: O=C(NC1=C(O)C=CC(=C1)C=2OC=3C=CC(=CC3N2)CO)CO
Compound: Arthrosporol A
SMILES: O1[C@@]2([C@@H](O)C=C([C@H]([C@H]12)O)CO)[C@@H](O)C=C(/C=C/[C@H]3[C@](O)(CC[C@H](C3(C)C)O)C)C
Compound: Zelkovamycin D
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N[C@](C(=O)NCC(=O)N[C@@H](C(N\C(\C(N(CC(N[C@@H]2C)=O)C)=O)=C/CO)=O)CC)(C(=O)C)C)CC=3C4=C(OC)C=CC=C4NC3
Compound: (+)-asperglactam A
SMILES: O=C1N[C@@H](C2=C(OC)C=CC=C2OC)C=3C1=C(OC)C(=CC3O)CO
Compound: Hitoyopodin A
SMILES: O1C2=C(C=C(O)C(=C2)C)[C@@]3(C)C[C@]1(O)CC3(C)C
Compound: Saprolmycin A
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](OC5OC(C(=O)C=C5)C)(C)C4)O)[C@H]6O[C@H]([C@H](OC7OC(C(=O)C=C7)C)[C@H](C6)O)C
Compound: 1962-B
SMILES: O=C1O[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(NCC(N[C@@H]1CC(C)C)=O)=O)CC2=CC=CC=C2)C(C)C)CC(C)C
Compound: Madurastatin A3
SMILES: O=C1N(O)CCC[C@@H]1NC(=O)C(NC)CCCN(O)C(=O)CCNC(=O)[C@@H](NC(=O)[C@H](N)COC(=O)C2=C(O)C=CC=C2)C
Compound: Pchaeglobolactone A
SMILES: O=C1C(=C[C@H](CC=C[C@@H]2[C@@]34C(CC[C@@H]1O)=N[C@@H](CC=5C6=C(C=CC=C6)NC5)[C@@H]3[C@H](C)[C@](OC4=O)(C)[C@H]2O)C)C
Compound: (-)-asperglactam A
SMILES: O=C1N[C@H](C2=C(OC)C=CC=C2OC)C=3C1=C(OC)C(=CC3O)CO
Compound: (7S,9S)-15-hydroxy-1-hitoyopodin A
SMILES: O1C2=C(C=C(O)C(=C2)CO)[C@@]3(C)C[C@]1(O)CC3(C)C
Compound: Micropeptin HU1021
SMILES: S(=O)(=O)(O[C@@H](C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H]([C@H](CC)C)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@H](CC)C)=O)CC3=CC=C(O)C=C3)C)=O)[C@H](O)CC2)CCCN=C(N)N)COS(=O)(=O)O)O
Compound: Palmarumycin M1
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14C=C[C@H](O)[C@H]5[C@H]4[C@H](O)CC[C@@H]5O
Compound: Inostamycin B
SMILES: O=C(O)C(C1(OC(C(CC)C(C1C)O)C(C(O)C(C(=O)C(C2OC(C3(OC(C(O)CCC)(CC)CC3C)O)(C)CC2C)CC)C)C)O)C
Compound: Spiropchaeglobosin A
SMILES: O=C1[C@H](O)C(=C[C@H](CC=C[C@@]2([C@H](C1)C(=O)OC)C(=O)[C@@H]([C@@H](C)[C@@H]3[C@@H]2C(=O)N[C@H]3CC=4C5=C(C=CC=C5)NC4)C)C)C
Compound: (+)-1-hydroxyboivinianic acid
SMILES: O=C1O[C@](C2=C(O)C=C(C(=O)O)C=C2)(C)CC1
Compound: (7S,9R,11S)-13hydroxy-1-hitoyopodin A
SMILES: O1C2=C(C=C(O)C(=C2)C)[C@@]3(C)C[C@]1(O)C[C@@]3(CO)C
Compound: BI-32169
SMILES: S1SC[C@@H]2NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)CNC(C[C@H](NC([C@@H](NC([C@H]4N(C2=O)CCC4)=O)CO)=O)C(=O)N[C@H](C(=O)N5[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(N[C@H](C(N6[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C1)C(=O)O)=O)C)=O)CC=7C8=C(C=CC=C8)NC7)=O)CCC6)=O)[C@H](O)C)=O)CC(=O)N)=O)CC=9C%10=C(C=CC=C%10)NC9)CCC5)[C@H](CC)C)=O)CC(C)C)CCC3)CC=%11C%12=C(C=CC=C%12)NC%11
Compound: RES-1214-2
SMILES: ClC1=C(O)C(OC2=C(C(O)=CC(=C2)C)C(=O)O)=C(C(=O)OC)C=C1OC
Compound: Arylomycin A3
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)CO)C)C)C=CC3O)C2)O)C
Compound: benzylideneacetone
SMILES: CC(=O)C=Cc1ccccc1
Compound: Pchaeglobosal A
SMILES: O=C1C(=C[C@H](CC=C[C@@H]2[C@]3(C(CC[C@@H]1O)=O)C(=O)N[C@H]([C@@H]3[C@H](C)[C@@]2(C=O)C)CC=4C5=C(C=CC=C5)NC4)C)C
Compound: Tricholumin A
SMILES: O=C1[C@@]([C@H]2[C@@H]([C@@H]([C@H](O)[C@@H](C(C)C)C)CC2)C)(CCC(=O)[C@@]3([C@]4(O[C@]1(O)C=C4)C[C@@H](O)CC3)C)C
Compound: Shearinine G
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=C7C8=C(C(OC(C8)(C)C)(C)C)C(C7=CC6C5C[C@@H]4CC3)=O)C)(CC[C@@]29O[C@@H]1C(O9)(C)C)C
Compound: Pleosporallin C
SMILES: O1[C@]2([C@H](O)C=C([C@H]([C@@H]12)O)CO)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCCC4(C)C)C
Compound: 24-methylenelanost-8-ene-3beta,22-diol
SMILES: O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H](O)CC(=C)C(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Pchaeglobosal B
SMILES: O=C1C=CC(=O)[C@H](O)C(=C[C@H](CC=C[C@@H]2[C@@]13C(=O)N[C@H]([C@@H]3[C@H](C)[C@@]2(C=O)C)CC=4C5=C(C=CC=C5)NC4)C)C
Compound: Chrysine A
SMILES: ClC1=C(OC2=C(OC)C=C(OC)C=C2C(=O)O)C(=C(O)C(=C1C)Cl)C(=O)OC
Compound: Stagonolide I
SMILES: O=C1O[C@@H](C[C@H](O)C=C[C@H](C=C1)O)C
Compound: 2,3-dihydro-5-hydroxy-2-methyl-4H-1-benzopyran-4-one
SMILES: O=C1C2=C(O[C@H](C1)C)C=CC=C2O
Compound: Catenulisporolide B
SMILES: O=C1O[C@@H]([C@H](C=CC=CC=C[C@@H](O)C[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H](C2)OC)C)C[C@H]3O[C@](C[C@@H](CCCCC1)O)(O)[C@@H]([C@@H](O)C3)C)C)C[C@@H](O)[C@@H]([C@@H](O)[C@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)O[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O)C)C)CC(C)C)C)C
Compound: Aurantiomide A
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@](OC)(NC([C@@H]2CCC(=O)N)=O)CC(C)C
Compound: Chrysine B
SMILES: ClC1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C(=C(O)C(=C1C)Cl)C(=O)OCC
Compound: Fulvivirgamide B2
SMILES: O=C(O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)C
Compound: VM-44864
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](C(=CC)C)[C@@H](C)C[C@H]3O)O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)[C@H]5OC4)C)O)C)C
Compound: Peniciginseng B
SMILES: O=C(O)CCCCCC[C@@H]1O[C@H]([C@H](O)CCCCC)CC=C1
Compound: Fulvivirgamide A2
SMILES: O=C(O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CC1=CC=CC=C1
Compound: Deacetyldemethylanisomycin
SMILES: OC1=CC=C(C[C@@H]2NC[C@@H]([C@H]2O)O)C=C1
Compound: Chrysine C
SMILES: ClC1=C(OC2=C(OC)C=C(OC)C=C2C(=O)OC)C(=C(O)C=C1C)C(=O)OC
Compound: (4S,5R,6R)-oxysporone
SMILES: O=C1O[C@H]2OC=C[C@@H]([C@H]2C1)O
Compound: Virescenoside N
SMILES: O1[C@@H](OC[C@]2([C@@H](O)[C@H](O)C[C@]3([C@H]2[C@H](O)C=C4[C@@H]3CC[C@@](C4)(C=C)C)C)C)[C@@H](O)[C@H](O)[C@@H]([C@H]1CO)O
Compound: Diaporol E
SMILES: O[C@H]1C(=C([C@]2(CCCC([C@@H]2C1)(C)C)C)CO)C
Compound: Catenulisporolide C
SMILES: O=C1O[C@@H]([C@H](C=CC=CC=C[C@@H](O)C[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H](C2)O)C)C[C@H]3O[C@](C[C@@H](CCCCC1)O)(O)[C@@H]([C@@H](O)C3)C)C)C[C@@H](O)[C@@H]([C@@H](O)[C@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)O[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O)C)C)CC(C)C)C)C
Compound: Fulvivirgamide B3
SMILES: O=C(O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CC
Compound: Chrysine D
SMILES: ClC1=C(OC2=C(OC)C=C(OC)C=C2C(=O)O)C(=C(O)C=C1C)C(=O)OC
Compound: Pestaloficiol W
SMILES: O=C(C#CC1=C[C@H](O)[C@@H]2[C@H]([C@@H]1O)O2)C
Compound: Pyrenocine M
SMILES: O=C1OC(=C(CO)C(=C1)OC)CCCCC
Compound: Sphaeropsidin G
SMILES: O=C1C=2C(=C3CCCC([C@H]3C1)(C)C)CC[C@](C2)(C=C)C
Compound: Catenulisporolide D
SMILES: O=C1O[C@@H]([C@H](C=CC=CC=C[C@@H](O)C[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H](C2)OC)C)C[C@H](CC=C(C(C[C@@H](CCCCC1)O)=O)C)O)C)C[C@@H](O)[C@@H]([C@@H](O)[C@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H](C3)O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)O)C)C)CC(C)C)C)C
Compound: Fulvivirgamide B4
SMILES: O=C(NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)O)C(C)C
Compound: Chrysoxanthone
SMILES: ClC1=C2OC3=C(C(=C(O)C(=C3)O)C(=O)OC)C(C2=C(O)C(=C1C)Cl)=O
Compound: Rhombitriol
SMILES: O[C@]12C(=C)CCC[C@]1(C[C@H](O)[C@@H](C2)C(O)(C)C)C
Compound: Sclerin
SMILES: O=C1OC(=O)[C@@H](C)C=2C1=C(O)C(=C(C)C2C)C
Compound: [(2R,4R,5S,6R)-6-ethyl-2-[(2R,3S,4R)-3-hydroxy-4-[(2R,3R,4E,6E,9R,10S,11S,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyloxan-4-yl] (E)-4-amino-4-oxobut-2-enoate
SMILES: O=C1O[C@@H]([C@H](OC)C=CC=C(C[C@H]([C@@H]([C@H](C=C(C=C1C)C)C)O)C)C)[C@@H]([C@H](O)[C@H]([C@@]2(O[C@@H]([C@H](C)[C@@H](C2)OC(=O)/C=C/C(=O)N)CC)OC)C)C
Compound: Lobophorin H3
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=C[C@@H]3C=C([C@H](C)C[C@]34OC(=O)C(C4=O)=C([C@@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](NC(=O)OC)[C@](C7)(N)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)CO)C)C)C
Compound: Deoxaphomin C
SMILES: O=C1C=C[C@H](O)CCC[C@H](CC=C[C@@H]2[C@@]13C(=O)N[C@H]([C@@H]3[C@H](C)C(=C2)C)CC4=CC=CC=C4)C
Compound: Dichloroorcinol
SMILES: ClC1=C(O)C=C(O)C(=C1C)Cl
Compound: Fiscalin A
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H](NC([C@H]2C[C@]4(O)C5=C(C=CC=C5)N6[C@H]4N[C@@H](C)C6=O)=O)C(C)C
Compound: Peyronellin C
SMILES: O=C1C=C2C(=C[C@@H](O)[C@]3([C@@H]2O3)C[C@H]4C(=CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)CC1
Compound: Lobophorin H4
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=C[C@@H]3C=C([C@H](C)C[C@]34OC(=O)C(C4=O)=C([C@@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](NC(=O)OC)[C@](C7)(N)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)C)C)C)C
Compound: Strepoxazine A
SMILES: O=C(O)C1=C2OC3=C(C(C(N)=C(O)C(=O)OC)=CC=C3)NC2=CC=C1
Compound: Terretrione C
SMILES: O=C1N(C(=O)C(CC2=CC=CC=C2)C(N(C1C(CC)C)C)=O)C
Compound: 3-isopentyl-4-hydroxy phenylacetic acid methyl ester
SMILES: O=C(OC)CC1=CC(=C(O)C=C1)CC=C(C)C
Compound: Catacerebroside B
SMILES: O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)CCCCCCCCCCCCCC/C=C\CCCCCC
Compound: Asperdichrome
SMILES: O=C1C2=C(O)C3=C(O)C(OC4=C5C(O)=C6C(=O)C[C@H](C)[C@@H]([C@]6(C(=O)OC)OC5=CC=C4)O)=CC=C3O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)C
Compound: Phomactin N
SMILES: O=C1C=2C(=C)[C@]([C@H](C)CC2)(CCC(=C)[C@H](CC[C@@]3([C@@H]1O3)C)O)C
Compound: Lobophorin H5
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O[C@@H]4O[C@@H]([C@H](NC(=O)OC)[C@](C4)(N)C)C)CC=C([C@H]5[C@@](C(=C1C2=O)O)([C@H]6[C@@H]([C@@H](O[C@@H]7O[C@H]([C@H](NC(=O)OC)[C@](C7)(N)C)C)[C@@H](C)C[C@@H]6C)C=C5)C)C)C)C=C(CO)[C@@H](C3)C
Compound: 1-(3-ethyl-2,4-dihydroxyphenyl)-2-methylhexan-1-one
SMILES: O=C(C1=C(O)C(=C(O)C=C1)CC)[C@H](CCCC)C
Compound: Stachartarin A
SMILES: O=C1C2=C(C=3O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)CC3C(=C2)O)[C@H]([C@@H]1C6=C(C=C(O)C7=C6O[C@]8([C@@]9([C@H](C([C@H](O)CC9)(C)C)CC[C@H]8C)C)C7)CO)O
Compound: Chloro-orienticin C
SMILES: ClC1=C2OC3=C(O)C=4OC5=C(Cl)C=C([C@@H](OC6OC(C(O)C(C6)(N)C)C)C7C(=O)N[C@H](C(=O)O)C=8C(C=9C=C(C(NC([C@@H](C(=C3)C4)NC(=O)[C@@H](NC([C@@H]([C@@H](C(=C1)C=C2)O)NC(=O)[C@H](NC)CC(C)C)=O)CC(=O)N)=O)C(=O)N7)C=CC9O)=C(O)C=C(O)C8)C=C5
Compound: Tremulenolide D
SMILES: O=C1OCC2=C1CC[C@@H](C)[C@@H]3[C@@H]2CC(C)(C)C3
Compound: Phomactin O
SMILES: O=C1C=2C(=C)[C@]([C@H](C)CC2)(CC=C(C)[C@H](CC[C@@]3([C@@H]1O3)C)O)C
Compound: Lobophorin H6
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O[C@@H]4O[C@@H]([C@H](NC(=O)OC)[C@](C4)(N)C)C)CC=C([C@H]5[C@@](C(=C1C2=O)O)([C@H]6[C@@H]([C@@H](O[C@@H]7O[C@H]([C@H](NC(=O)OC)[C@](C7)(N)C)C)[C@@H](C)C[C@@H]6C)C=C5)C)C)C)C=C(C)[C@@H](C3)C
Compound: Sydowiol A
SMILES: O(C1=C(O)C(OC2=C(O)C(O)=CC(=C2)C)=CC(=C1)C)C3=C(O)C(O)=CC(=C3)C
Compound: methyl (1R,2S,10S,11R,13R,15S)-15-hydroxy-2,6,6,10,13,15-hexamethyl-17-methylidene-7,14,16-trioxotetracyclo[11.3.1.02,11.05,10]heptadeca-4,8-diene-1-carboxylate
SMILES: O=C1C=C[C@]2([C@H]3[C@]([C@@]4(C(=O)[C@](O)(C)C([C@@](C3)(C)C4=C)=O)C(=O)OC)(C)CC=C2C1(C)C)C
Compound: Orbiocrellin A
SMILES: O=C1N(O)C=C(C2=CC=C(O[C@H]3OC([C@H](OC)[C@@H](C3O)O)CO)C=C2)C(=C1C4OC(CCC4C)C)O
Compound: Actinomycin Y3
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C3N=C4C(=C(C(=O)C(=C4C(=O)OC[C@H](O)[C@@H]5NC(=O)[C@@H](N(C(=O)CN(C)C([C@H]6N(C([C@H](NC5=O)C(C)C)=O)CC(=O)C6)=O)C)C)N)C)OC3=C(C)C=C2)C(=O)N[C@@H](C(=O)N7[C@@H](C)C[C@@H]([C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)O)C(C)C)C
Compound: Phomactin P
SMILES: O=C1C=2C(=C)[C@]([C@H](C)CC2)(CC[C@@]3(C)[C@H](CC[C@@]4([C@@H]1O4)C)O3)C
Compound: Lobophorin H7
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=C[C@@H]3C=C([C@H](C)C[C@]34OC(=O)C(C4=O)=C([C@@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](NC(=O)OC)[C@](C7)([N+](=O)[O-])C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)C)C)C)C
Compound: Petasol
SMILES: O=C1C=C2[C@]([C@H](C(O)CC2)C)(C)C[C@@H]1C(=C)C
Compound: Cylindrol A1
SMILES: O=C1[C@@H]([C@]([C@H](C)CC1)(C[C@@H](OC(=O)C)/C(=C/CC2=C(O)C(=C(C)C=C2O)C=O)/C)C)C
Compound: methyl (1S,2S,8S,10R,13R,15S,17R)-6-(2-methoxy-2-oxoethyl)-5-(2-methoxypropan-2-yl)-2,7,10,15-tetramethyl-11,16-dioxo-12,14-dioxatetracyclo[8.6.1.02,8.013,17]heptadeca-4,6-diene-1-carboxylate
SMILES: O=C1[C@@]2(C(=O)OC)[C@@]3([C@H](C(=C(CC(=O)OC)C(=CC3)C(OC)(C)C)C)C[C@@]4([C@H]2[C@@H](OC4=O)O[C@H]1C)C)C
Compound: Seitomycin
SMILES: O=C1C2=C(C(=O)C3=C1C4=C(CC(O)(C)CC4O)C=C3)C(OC)=CC=C2O
Compound: Bafilomycin M
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1C)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)O)C(C)C)OC)C)C
Compound: Lobophorin H12
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@@H](O[C@H](C1)O[C@@H]2[C@H]3C=C[C@H]4C(=CC[C@H](O)C(C)=C[C@H]5[C@]6(C(C(=C([C@]4([C@@H]3[C@@H](C)C[C@@H]2C)C)O)C(=O)O6)=O)C[C@@H](C)C(=C5)C)C)C)C
Compound: methyl (1S,2S,11R,12S,14R,17R,19S,21R)-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-1-carboxylate
SMILES: O=C1OC(C2=CC[C@]3([C@H]([C@H](C2=C1)C)C[C@]4(C(=O)O[C@@H]5[C@H]4[C@]3(C(=O)[C@@H](O5)C)C(=O)OC)C)C)(C)C
Compound: MH-031
SMILES: O=C1OCC=C1CCC(=O)O
Compound: Tandyukisin E
SMILES: O=C(O[C@H]1[C@@H]2C=C[C@H]([C@@H](CC)C)[C@@]([C@H]2[C@H](C)C[C@H]1O)(C(=O)CCO)C)/C=C(/CC(=O)OCCC3=CC=C(O)C=C3)\C
Compound: Colobetaolactone III
SMILES: O=C1O[C@@H]([C@H]([C@@H]2[C@@]3([C@@](C4=C([C@]56[C@H](O[C@H](C([C@@H]5CC4)(C)C)CC6)OC)CC3)(C)CC2)C)C)CC=C1C
Compound: Chattamycin A
SMILES: O=C1C2=C(C(=O)C3=C1[C@@]4(O)[C@](O)(CC(C)=C[C@H]4OC5OC(C(O)C(C5)OC)C)[C@H]([C@@H]3O)OC(=O)C)C(O)=C(C6OC(C(O)C(C6)O)C)C=C2
Compound: Lobophorin H13
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O)CC=C([C@H]4[C@@](C(=C1C2=O)O)([C@H]5[C@@H]([C@@H](O[C@@H]6O[C@H]([C@H](NC(=O)OC)[C@](C6)(N)C)C)[C@@H](C)C[C@@H]5C)C=C4)C)C)C)C=C(C)[C@@H](C3)C
Compound: (1R,2S,12S,14R,15R,17S)-2,6,6,11,14,17-hexamethyl-8,18,19-trioxo-7,16,20-trioxapentacyclo[13.3.3.01,15.02,12.05,10]henicosa-4,10-diene-14-carboxylic acid
SMILES: O=C1OC(C2=CC[C@]3([C@H](C(=C2C1)C)C[C@](C(=O)O)(C)[C@@]45[C@@]3(C(=O)OC4)C(=O)[C@H](C)O5)C)(C)C
Compound: Saprolmycin C
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](OC5OC(C(=O)C=C5)C)(C)C4)O)[C@H]6O[C@H]([C@@H]7OC8OC(C)C(CC8O[C@H]7C6)=O)C
Compound: Chevalone B
SMILES: O=C1OC(=CC2=C1C[C@H]3[C@]4([C@@H]([C@@]5([C@H](C([C@@H](OC(=O)C)CC5)(C)C)CC4)C)CC[C@@]3(O2)C)C)C
Compound: Tandyukisin F
SMILES: O=C(O[C@H]1[C@@H](O)[C@@H]2C=C[C@H]([C@@H](CC)C)[C@@]([C@H]2[C@@H](C1)C)(C(=O)CCO)C)/C=C(/CC(=O)OCCC(=O)[C@@]3([C@@H]4[C@@H](C=C[C@@H]3[C@@H](CC)C)[C@H](O)[C@H](OC(=O)/C=C(/CC(=O)OC)\C)C[C@H]4C)C)\C
Compound: Chloronatronochrome
SMILES: ClC1=C(O)C(=C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OC)C=C1)C
Compound: Lobophorin H14
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O)CC=C([C@H]4[C@@](C(=C1C2=O)O)([C@H]5[C@@H]([C@@H](O[C@@H]6O[C@H]([C@H](NC(=O)OC)[C@](C6)(O)C)C)[C@@H](C)C[C@@H]5C)C=C4)C)C)C)C=C(C)[C@@H](C3)C
Compound: Ganotheaecoloid I
SMILES: O=C1OC(O)(C2=C(O)C=CC(=C2)O)C=C1CC[C@@H]3C(=C)CC[C@@H](C3(C)C)O
Compound: (-)-7-methoxydodec-4(E)-enoic acid
SMILES: O=C(O)CC/C=C/C[C@@H](OC)CCCCC
Compound: ICM0201
SMILES: O=C(O)C1=C2N[C@@H]3OC[C@@H](O)CC3(O)OC2=CC=C1
Compound: Gageotetrin A
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCC(CC)C)CCC(=O)O)CC(C)C
Compound: Trichotoxin B
SMILES: Cl/C=C(\CC[C@@H](/C=C(/[C@H](O)CC=C)\C)C)/CCCCCC#C
Compound: Antiostatin A5
SMILES: O=C(NC1=C(O)C(=C(CCCCCC(O)(C)C)C2=C1C3=C(C=CC=C3)N2)C)C
Compound: Ganotheaecoloid E
SMILES: O=C(O)C(CC(=O)C1=C(O)C=CC(=C1)O)CC[C@@H]2C(=CC[C@@H](C2(C)C)O)C
Compound: Botryolide A
SMILES: O=C1O[C@@H](C[C@@H]2O[C@@H]2[C@@H]3[C@@H]([C@H](C1)O)O3)C
Compound: Pestalotiolactone A
SMILES: O=C1O[C@@H]2C[C@@](O)(C)[C@@H]([C@@H]2[C@H]1C)C
Compound: Aspewentin C
SMILES: O=C1C2=C([C@@]3(O)CCCC(C3=C1)(C)C)CC[C@@](C2)(C=C)C
Compound: (+)-applanatumol Z2
SMILES: O=C1C2=C(OC3=C1CC[C@H]3C(=O)OC)C=CC(=C2)O
Compound: Antiostatin A6
SMILES: O=C(NC1=C(O)C(=C(CC[C@@H]2CC=CCC2)C3=C1C4=C(C=CC=C4)N3)C)C
Compound: Ganotheaecoloid A
SMILES: O=C1C2=C(C=CC(=C2)O)OC1(O)CCC[C@@H]3C(=C)CC[C@@H](C3(C)C)O
Compound: Microginin 680
SMILES: ClC(Cl)CCCCC(N)C(O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)O)CCC1)CC2=CC=C(O)C=C2)C)CC3=CC=C(O)C=C3
Compound: Pestalotiolactone B
SMILES: O=C1O/C(=C(\[C@@H]2[C@H](O)C[C@@]([C@@H]2C)(O)C)/C)/C=C1O
Compound: 2,5-bis(hydroxymethyl)furan monoacetate
SMILES: O=C(OCC=1OC(CO)=CC1)C
Compound: GERI-BP001
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@H]4[C@@]5([C@H](C([C@@H](OC(=O)C)CC5)(C)C)CC[C@]4(O3)C)C
Compound: (+/-)-morindolestatin
SMILES: O=C(C1=NC2=C(C(=C(CCCCC(C)C)C3=C2C4=C(C=CC=C4)N3)C)O[C@H]1C=5C6=C(C=CC=C6)NC5)C
Compound: Ganotheaecoloid B
SMILES: O=C1C2=C(C=CC(=C2)O)OC1(O)CCC[C@@H]3C(=CC[C@@H](C3(C)C)O)C
Compound: Dhilirolide G
SMILES: O=C1OC(C2=CC[C@]3([C@H]([C@](C2=C1)(O)C)C[C@]4(C(=O)[C@@H]([C@@]3(C4=C)C(=O)OC)OC(=O)C)C)C)(C)C
Compound: Cyanosporaside F
SMILES: ClC1=C(C=CC2=C1[C@]3(O)C(C=C[C@@H]3O[C@@H]4O[C@@H]([C@@H](O)C[C@H]4SCCNC(=O)C)C)=C2)CC#N
Compound: Pestabacillin A
SMILES: O=C(O)[C@@H]([C@@H]1[C@@H]2[C@H]([C@@](O)(C)CCC1)CC[C@@H]2C)C
Compound: Heptavalinamide A
SMILES: O=C(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)N([C@H](C(=O)O)CC1=CC=CC=C1)C)C(C)C)C)C(C)C)C)C(C)C)C)C(C)C)C)C(C)C)C)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C)C)C(C)C)C)C(C)C)CCC2
Compound: Sordarin-3-carboxylic acid
SMILES: O=C(O)C12C(=CC3C1(C[C@H]4[C@H](C2(C(=O)O)C3)CC[C@H]4C)COC5OC(C(OC)C(C5O)O)C)C(C)C
Compound: (+)-ganotheaecoloid L
SMILES: O=C(O)[C@@]1([C@H](O)C(=CCC1)C)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Aspermeroterpene A
SMILES: O=C1OC(=C2O[C@@]3([C@@]4([C@]2([C@]1(C(=C)[C@@H](OC(=O)C)[C@H]4[C@]5([C@@]6(C(C(=O)C[C@H]56)(C)C)C3=O)C)C)C(=O)OC)C)O)C
Compound: Cordycepol B
SMILES: O[C@]([C@H]1[C@]2([C@H](C)CC1)CC=C(C)CC2)(CO)C
Compound: Pestabacillin B
SMILES: O=C1C=C(C(CCC(CC(=O)O)C)C(C1)(C)C)C
Compound: Ganotheaecoloid J
SMILES: O=C1OC(OC)(C2=C(O)C=CC(=C2)O)C=C1CC[C@H]3[C@@]4(O[C@H](C3(C)C)CC4)C
Compound: Hirsutenol F
SMILES: S1[C@H]2C=3C(=O)C(C)(C)[C@H](C3[C@@]4([C@@]2(O)CC([C@@H]4C1)=O)C)O
Compound: Atacamycin C
SMILES: O=C1OC(/C=C/CC)CC=CC=CC(OC)CC(O)C(C)C=CCC(C=CC=C(C=C1)C)C
Compound: Aspermeroterpene B
SMILES: O=C1O[C@@H](C(=O)[C@@]2([C@]1(C(=C)[C@@H](OC(=O)C)[C@H]3[C@]4(C(C(C(=O)C=C4)(C)C)=C(C([C@]23C)=O)O)C)C)C(=O)OC)C
Compound: Cereusitin A
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(N[C@H]1CC4=CC=CC=C4)=O)C[C@@H](O)C3)CC(C)C)C[C@H](C2)O
Compound: Duclauxamide A1
SMILES: O=C1OC[C@]23C=4C(=O)C=5C=6C(=C(O)N(C5)CCO)C(=O)C=C(C6C4[C@H]([C@@H]2OC(=O)C)C(C7=C3C1=C(O)C=C7C)=O)C
Compound: Ganotheaecoloid M
SMILES: O=C(O)[C@]1([C@@H](O)[C@H](CCC1)CO)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Oxaloterpin E
SMILES: O=C(O[C@H]1C([C@@H]2[C@@](C3=CC[C@@](C=C)(C)C[C@@H]3CC2)(C)CC1)(C)C)N
Compound: Pneumocandin A2
SMILES: O=C1N2[C@H](C(=O)NCCC[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@H](O)[C@@H](O)C4=CC=C(O)C=C4)=O)C[C@@H](O)C3)=O)[C@H](O)C)[C@@H](O)[C@H](C2)C
Compound: Aspermeroterpene C
SMILES: O=C1O[C@@H](C(=O)[C@@]2([C@]1(C(=C)[C@@H](OC(=O)C)[C@H]3[C@]4(C(C(C(=O)CC4)(C)C)=C(C([C@]23C)=O)O)C)C)C(=O)OC)C
Compound: 4-(R)-hydroxysattabacin
SMILES: O=C([C@H](O)CC1=CC=C(O)C=C1)CC(C)C
Compound: Alternaroside A
SMILES: O=C(N[C@H]([C@H](O)/C=C/CCC(=O)C(=C)CCCCCCCCC)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)/C=C/CCCCCCCCCCCCCC
Compound: Ganotheaecoloid G/H
SMILES: O=C1OC(C2=C(O)C=CC(=C2)O)C=C1CC[C@@H]3C(=C)CC[C@@H](C3(C)C)O
Compound: Dendrodochol C
SMILES: O[C@@H]1[C@@H]([C@@H](/C=C/C=C/C=C/C)C[C@H](C1)O)CO
Compound: Alpha-D-Galactouronosylceramide II
SMILES: O=C(O)[C@H]1O[C@H](OC[C@H](NC(=O)C(O)CCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCC)[C@H](O)[C@H]([C@H]1O)O
Compound: Dimericchalasine A
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC[C@H](C([C@H]1[C@H]4C(=O)[C@@]56C(=O)N[C@H]([C@@H]5[C@H](C)C(=C[C@@H]6C=C(C)CC[C@H](C(C4)=O)O)C)CC(C)C)=O)O)C)C)CC(C)C
Compound: Nodupetide
SMILES: O=C1O[C@H]([C@H](CC)C)CC(=O)NCC(=O)N[C@@H](C(C)C)C(N[C@@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C)=O)CC(C)C)=O
Compound: Seco-Dihydropyrenophorin-1,4-lactone
SMILES: O=C1OC(CC[C@H](OC(=O)/C=C/[C@@H](O)CC[C@H](O)C)C)CC1
Compound: Ganotheaecoloid N
SMILES: O=C(OC)[C@@]1(C=C(CCC1)CO)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Perenniporide B
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@](O)(C[C@@H](O)C(=O)OC)C(=C1)OC)CC
Compound: Amichalasine D
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H](C([C@@H]4[C@@H]1[C@@]56C(=O)[C@]4(O)C(=O)C(=C5[C@@H]7[C@H]8C(=O)[C@H](O)CCC(=C[C@@H]9[C@]%10(C([C@@H]8[C@H]6O7)=O)C(=O)N[C@H]([C@@H]%10[C@H](C)C(=C9)C)CC(C)C)C)C)=O)O)C)C)CC(C)C
Compound: Lecanicillolide
SMILES: O=C1OC(=C(C)C(=C1[C@@H]2C=3C(=O)C(=C(C)OC3[C@](CC)(C)C(C2)=O)C)O)C
Compound: Naphterpin A
SMILES: O=C1C=2OC([C@H]3CC[C@@](C=C3C2C(=O)C=4C1=C(O)C(=C(O)C4)C)(O)C)(C)C
Compound: 8-hydroxy-6-methoxy-3-methylisocoumarin
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2)C
Compound: Ganotheaecoloid K
SMILES: O=C1O[C@@]2([C@@H](C([C@@H](O)CC2)(C)C)CCC1=CCC3=C(O)C=CC(=C3)O)C
Compound: Cystochromone G
SMILES: O=C1C2=C(OC(=C1)CC(=O)C)C=C(O)C=C2CCCCCCCCCCCCC(O)(C)C
Compound: Aspergillide D
SMILES: O=C1N([C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(N[C@H](C(N[C@H]1CC3=CC=C(OC)C=C3)=O)CC4=CC=C(OC)C=C4)=O)C(C)C)CC5=CC=C(O)C=C5)C
Compound: Caprazamycin B
SMILES: O=C1N(C(C(=O)O)[C@@H](OC(=O)C[C@@H](OC(=O)C[C@@H](CC(=O)O[C@@H]2O[C@H]([C@H](OC)[C@H]([C@H]2OC)OC)C)C)CCCCCCCCCCC(C)C)CN([C@H]1[C@@H](O[C@@H]3O[C@H](CN)[C@H]([C@H]3O)O)[C@H]4O[C@@H](N5C(=O)NC(=O)C=C5)[C@@H]([C@@H]4O)O)C)C
Compound: Amichalasine E
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H](C([C@@H]4[C@@H]1[C@@]56C(=O)[C@]4(O)C(=O)C(=C5[C@@H]7[C@@H]8C(=O)[C@H](O)CCC(=C[C@@H]9[C@]%10(C([C@H]8[C@H]6O7)=O)C(=O)N[C@H]([C@@H]%10[C@H](C)C(=C9)C)CC(C)C)C)C)=O)O)C)C)CC(C)C
Compound: Roseolide A
SMILES: O=C1OC[C@]2([C@H]3[C@@]([C@H](C(=C)CC3)CO[C@@H](C(=O)OC[C@]4([C@H]5[C@@]([C@@H](CO[C@@H]1[C@H]6C(=O)OCC6)C(=C)CC5)(CCC4)C)C)[C@H]7C(=O)OCC7)(CCC2)C)C
Compound: Ganotheaecoloid F
SMILES: O=C(O)/C(=C/C(=O)C1=C(O)C=CC(=C1)O)/CCC2=C(CC[C@@H](C2(C)C)O)C
Compound: Aspergillide E
SMILES: O=C(O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC=2C3=C(C=CC=C3)NC2)C(C)C
Compound: Carneamide B
SMILES: O=C1N2C=CC(C=3NC4=C(C3C[C@]2(C(=O)N5C1=CCC5)C)C=C6C=CC(OC6=C4)(C)C)(C)C
Compound: (3S, 3'R)-adonixanthin-beta-D-glucoside
SMILES: O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(CC(O)CC2(C)C)C)C)C)C)C)C(C)(C)CC1C3OC(C(O)C(C3O)O)CO)C
Compound: Maduralactomycin A
SMILES: ClC1=C2C(C(=O)OC=3[C@H]2OC4=C(C(C(=O)O)=CC=C4)C3O)=C(O)C=C1C
Compound: (2Z,6S)-3-chloromethyl-6-methoxylocta-2,7(10)-dien-1-ol
SMILES: ClC/C(=C\CO)/CC[C@H](OC)C(=C)C
Compound: Ganotheaecoloid D
SMILES: O=C(O)/C(=C\C[C@@H]1C(=C)CC[C@@H](C1(C)C)O)/CC(=O)C2=C(O)C=CC(=C2)O
Compound: Aspergillide F
SMILES: O=C(O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)C(C)C)C(C)C
Compound: Penexanthone B
SMILES: O=C1C2=C(O)C3=C(C=CC=C3O)O[C@@]2([C@H](OC(=O)C)[C@@H](C1)C)COC(=O)C
Compound: Maduralactomycin B
SMILES: BrC1=C2C(C(=O)OC=3[C@H]2OC4=C(C(C(=O)O)=CC=C4)C3O)=C(O)C=C1C
Compound: Halichomycin
SMILES: O=C1N[C@@H]2O[C@@H]3C(C(=O)C=CC(C)[C@@H](O[C@H]([C@H](C=C(C=C1C)C)C)[C@H](C3C)CC(=CC=C[C@H]2OC)C)CC)C
Compound: Ohmyungsamycin A
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C)C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(C)C)C(N([C@H](C(N([C@H](C(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)[C@H](O)C2=CC=CC=C2)=O)C(C)C)=O)CC=3C4=C(OC)C=CC=C4NC3)C)=O)C(C)C)C)=O)CC(C)C)C)C(C)C)[C@H](O)C)C)C
Compound: Ganotheaecoloid C
SMILES: O=C(O)C(CC(=O)C1=C(O)C=CC(=C1)O)CC[C@@H]2C(=C)CC[C@@H](C2(C)C)O
Compound: Aspergillide G
SMILES: O=C(O)[C@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](N)C)C(C)C)C(C)C)CC1=CC=C(O)C=C1
Compound: Erythrolic acid C
SMILES: O=C1O[C@]([C@@H](O)CC/C(=C/CC/C(=C/CC2=C(O)C=CC(=C2)C(=O)O)/C)/C)(C)CC1
Compound: Catacerebroside C
SMILES: O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)C(O)C(O)CCCCCCCCCCCCC/C=C\CCCCCC
Compound: (-)-ganotheaecoloid L
SMILES: O=C(O)[C@]1([C@@H](O)C(=CCC1)C)CC(=O)C2=C(O)C=CC(=C2)O
Compound: (R)-2-(2-(furan-2-yl)-oxoethyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILES: O=C1N(CC(=O)N2[C@@H]1CCC2)CC(=O)C=3OC=CC3
Compound: Actinospirol A
SMILES: ClC1=C(C=C(O)C2=C1[C@@]3(OC2=O)OC=4C=CC=C(C4C3=O)C(=O)O)C
Compound: (3S,10R)-1,4-epi-3,10-dihydroxyacorenone
SMILES: O=C1C(=C[C@@H](O)[C@@]2(C1)[C@@H](C(C)C)C[C@@H]([C@H]2C)O)C
Compound: Dothiorelone F
SMILES: O=C(OC)CC1=C(C(O)=CC(=C1)O)[C@@H](OC)CCCCCCC
Compound: Punctatin F
SMILES: O[C@]12C(C[C@@H]1[C@@]3([C@](C=C[C@@H]3O)(C)CC2)CO)(C)C
Compound: Kirschsteinin B
SMILES: O=C1C(=O)C(=C(O)C2=C1C=C(OC)C(=C2O)CC)[C@H](C3=C(O)C=4C(=O)C=C(OC)C(C4C=C3OC)=O)C
Compound: Actinospirol B
SMILES: BrC1=C(C=C(O)C2=C1[C@@]3(OC2=O)OC=4C=CC=C(C4C3=O)C(=O)O)C
Compound: Palmaenone B
SMILES: ClC1=C(/C(/Cl)=C\C)[C@](O)(C(=O)OC)[C@@H](C1=O)Cl
Compound: (3S)-1,4-epi-3-hydroxyacorenone
SMILES: O=C1C(=CC[C@@]2(C1)[C@@H](C(C)C)C[C@@H]([C@H]2C)O)C
Compound: 16,18-dibromo-(15E,17Z)-octadeca-15,17-diene-5,7-diynoic acid methyl ester
SMILES: Br/C(/C=C\Br)=C/CCCCCCC#CC#CCCCC(=O)O
Compound: Stelliosphaerol B
SMILES: O([C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)C/C=C(/CC[C@@]1(C(=CCC[C@H]1C)C)C)\C
Compound: 6-(1-methoxylethy1)-2,7-dimethoxyjuglone
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C(OC)C(=C2O)[C@@H](OC)C
Compound: (+/-)-dispirocochlearoid B
SMILES: O=C1O[C@]2(C3=C(O[C@@H]([C@]24C=C5C6=C(O[C@]([C@@H]5CC4)(CCC=C(C)C)C)C=CC(=C6)O)O)C=CC(=C3)O)C=C1CC/C=C(/CCC=C(C)C)\C
Compound: Oxalicine B
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1[C@H](O)[C@@]4(C(=CC[C@H]5[C@]4(CC[C@@]([C@@]56COC(=O)CC6)(O)C(=C)C)C)C)O3
Compound: BE-32030D
SMILES: O=C1N(O)CCCCC1NC(=O)CC(OC(=O)C(NC(=O)C2(N=C(C3=C(O)C(O)=CC=C3)OC2)C)CCCCN(O)C(=O)CCCCCCCCCCC)C
Compound: 3,5-Dihydro-3alpha-hydroxy ML-236C
SMILES: O=C1O[C@@H](C[C@H](C1)O)CC[C@@H]2[C@@H]3C(=C[C@H]([C@@H]2C)O)CCCC3
Compound: (+/-)-dispirocochlearoid A
SMILES: O=C1O[C@]2(C3=C(O[C@@H]([C@@]24C=C5C6=C(O[C@]([C@@H]5CC4)(CCC=C(C)C)C)C=CC(=C6)O)O)C=CC(=C3)O)C=C1CC/C=C(/CCC=C(C)C)\C
Compound: (3S,7R)-1,4-epi-3,7-dihydroxyacoren-10-one
SMILES: O=C1C=C([C@H](O)C[C@@]12[C@@H](C(C)C)C[C@@H]([C@H]2C)O)C
Compound: (3R,4R)-3-methoxyl-botryosphaerone D
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@@H](O)[C@@H](C1)OC)CC
Compound: (1'S)-6-O-methyl-7-chloroaverantin
SMILES: ClC1=C(O)C=2C(=O)C3=C(O)C(=C(O)C=C3C(C2C=C1OC)=O)[C@@H](O)CCCCC
Compound: (+/-)-dispirocochlearoid C
SMILES: O=C1O[C@]2(C3=C(O[C@@H]([C@]24C=C5C6=C(O[C@]([C@@H]5CC4)(CCC=C(C)C)C)C=CC(=C6)O)O)C=CC(=C3)O)C=C1CCC=C(C)C
Compound: Stachybocin F
SMILES: O=C1N(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)CCCCCN6C(=O)C=7C=C(O)C8=C(C7C6)O[C@]9([C@@]%10([C@H](C([C@H](O)CC%10)(C)C)CC[C@H]9C)C)C8
Compound: Respinomycin B
SMILES: O=C1C2=C3O[C@H]4O[C@@](C3=CC=C2C(=O)C=5C1=C(O)C6=C(C[C@](O)(C)[C@@H]([C@@H]6OC7OC(C(O)C(C7OC)(O)C)C)OC)C5)([C@@H](O)[C@H]([C@@H]4O)NC)C
Compound: (7R)-1,4-epi-7-hydroxyacoren-10-one
SMILES: O=C1C=C([C@H](O)C[C@@]12[C@@H](C(C)C)CC[C@H]2C)C
Compound: Luchunazine A
SMILES: O=C1N[C@H](C(=O)N[C@@H]1CC2=CC=CC=C2)CC=3C4=C(C=CC=C4)NC3[C@@H](C5=C(O)C(C(=O)C)=CC=C5O)CC(OC)C(=O)O
Compound: Ampullosporin E4
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)CC(C)C)CCC(=O)N)(C)C)C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CC=1C2=C(C=CC=C2)NC1)C)(C)C
Compound: 7-zinniol acetate
SMILES: O=C(OCC1=C(C(OC)=C(C)C(=C1)OCC=C(C)C)CO)C
Compound: 3-(3-hydroxy-2-(hydroxymethyl)phenyl)propanoic acid
SMILES: O=C(O)CCC1=C(C(O)=CC=C1)CO
Compound: Cyclo(D-Arg-L-Pro)
SMILES: O=C1N2[C@@H](C(=O)N[C@H]1CCCN=C(N)N)CCC2
Compound: Sphaerialactonam
SMILES: O=C1OC(=C)[C@@H](C)C=2C1=C(O)C=C(O)C2CN3C(=O)CC[C@@H]3C(=O)C
Compound: Beauvericin D
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N[C@H](C(O[C@@H](C(N([C@H]1CC2=CC=CC=C2)C)=O)C(C)C)=O)CC3=CC=CC=C3)C(C)C)CC4=CC=CC=C4)C)C(C)C
Compound: Methyl 4-(3-acetyl-2, 6-dihydroxyphenyl)-2-methoxybutanoate
SMILES: O=C(OC)[C@@H](OC)CCC1=C(O)C(C(=O)C)=CC=C1O
Compound: Diorcinol C
SMILES: O(C1=C(C(=CC(=C1)O)C)C[C@H](O)C(OC)(C)C)C2=CC(O)=CC(=C2)C
Compound: 2-hydroxymethyl-3-hydroxy-(E)-cinnamic acid
SMILES: O=C(O)/C=C/C1=C(C(O)=CC=C1)CO
Compound: Libertellenone L
SMILES: O=C1O[C@H]2[C@]([C@H]3C(=O)OC[C@]3(C)CC2)(C)C4=C1[C@@H](O)[C@](C=C)(C)CC4
Compound: Arborcandin C
SMILES: O=C1NC(C(=O)NC(C(=O)NCC(=O)NCCC(=O)NC(CCCCCCCC(O)CCCCCC)C(NC(C(NC(C(NC(C(NC(C(NC1C(O)C)=O)CC(O)C(=O)N)=O)C)=O)CC(=O)N)=O)CC(=O)N)=O)CCC(O)CCCCCCCCC)C(O)C
Compound: Repraesentin E
SMILES: O=C1OCC2=C1CC(C3C(O)C(CC3C2)(C(=O)O)C)C
Compound: Hericirine
SMILES: O=C1N(C2=CC[C@]3([C@H](C2=C1)CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)CCC4=CC=CC=C4
Compound: Colletofuran A
SMILES: O1[C@]2(OCC3=C2C=CC=C3O)[C@H](O)[C@@H]([C@H]1CCCCC)O
Compound: Luchunazine B
SMILES: O=C1N[C@H](C(=O)N[C@@H]1CC2=CC=CC=C2)CC=3C4=C(C=CC=C4)NC3[C@H](C5=C(O)C(C(=O)C)=CC=C5O)CC(OC)C(=O)OC
Compound: 3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxohexanamide
SMILES: O=C(NC(CO)CC(C)C)CC(O)CC(=O)C
Compound: 8-hydroxy-3-hydroxymethyl-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC(=C3)CO)C=CC=C2O
Compound: Leptosphaerin G
SMILES: O=C1C2=C(O)C3=C(C=CC=C3O)O[C@@]2([C@@H](O)[C@@H](C1)C)C
Compound: TAN-1496 C
SMILES: S1S[C@]2(N(C)C([C@@]3(S1)N([C@@H]4C[C@@]5(O[C@H](C)C(C5=O)(C)C)[C@H]([C@@]4(C3)OC(=O)C)OC(=O)C)C2=O)=O)CO
Compound: 23-O-acetyl-N-hydroxyapiosporamide
SMILES: O=C1N(O)C=C([C@]2(O)[C@@H]3O[C@@H]3[C@H](OC(=O)C)CC2)C(=C1C(=O)[C@H]4[C@H]5[C@H](C=C[C@H]4C)C[C@H](C)CC5)O
Compound: Colletofuran B
SMILES: O1[C@](OC)(C=2C=CC=C(C2C1)OC[C@@H](O)C(O)(C)C)[C@@H]3O[C@H]3[C@H](O)CCCCC
Compound: Luchunazine C
SMILES: O=C1N[C@H](C(=O)N[C@@H]1CC2=CC=CC=C2)CC3=C(OC(C4=C(C5=C6NC=C(C6=CC=C5)C[C@@H]7NC(=O)[C@@H](CC8=CC=CC=C8)NC7=O)C(C(=O)C)=CC=C4O)CC(OC)C(=O)OC)NC9=C3C=CC=C9
Compound: 4,5-Dihydroxy-3-methyl-cyclohex-2-enone
SMILES: O=C1C=C([C@H](O)[C@H](C1)O)C
Compound: Gymnastatin F
SMILES: ClC=1C(=O)[C@@]2(Cl)[C@@H](OC)[C@](C1)(O)C[C@@H]([C@@H]2O)NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)/C
Compound: Penicitrinol F
SMILES: O=C(O)C1=C(O)C2=C([C@@H]([C@@H](C)O[C@@H]2CC(=O)CC(O)(C)C)C)C(=C1O)C
Compound: Colletofuran C
SMILES: O1[C@](OCC)(C=2C=CC=C(C2C1)OC[C@@H](O)C(O)(C)C)[C@@H]3O[C@H]3[C@H](O)CCCCC
Compound: Brevianamide U
SMILES: O=C/1N2C(O)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)C(O)CC2
Compound: Luchunazine D
SMILES: O=C1N[C@H](C(=O)N[C@@H]1CC2=CC=CC=C2)CC3=C(NC4=C3C=CC=C4)C5=C6NC=C(C6=CC=C5)C[C@@H]7NC(=O)[C@@H](CC8=CC=CC=C8)NC7=O