MonarchInit/C3PO huggingface dataset:
Compound: (2E,6R*,7R*,10R*)-6,10-Epoxy-2-farnesene-1,7,11-triol
SMILES: O1[C@@H](C(O)(C)C)CC[C@]([C@H]1CC/C(=C/CO)/C)(O)C
Compound: 8-O-methyl-fusarubin
SMILES: O=C1C2=C(C(=O)C3=C1CO[C@@](C3)(O)C)C(O)=C(OC)C=C2OC
Compound: Phomanone B
SMILES: O=C1O[C@@H](CC(=C1)OC)CCC(=O)O
Compound: Pyrrospirone D
SMILES: O=C1[C@@]23C(=O)N[C@@](C2)(OC)CC4=CC=C(O[C@H]5[C@@H]6[C@@H]1[C@@](C=C(C)[C@H]6[C@@]7(C[C@H](C)C[C@@H]([C@@H]57)C)C)(C)[C@H](C3)O)C=C4
Compound: Kailuin B
SMILES: O=C1OC(CC(=O)N[C@@H](C(=O)N[C@@H](CO)C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)=O)[C@H](O)C)=O)CC(C)C)CCCCCCCCC
Compound: Miniolutelide B
SMILES: O=C1OC(C2=C[C@H]3O[C@]4(O)[C@@H](O[C@H]5[C@]6([C@@]4([C@@]3([C@H]([C@H](C2=C1)C)C[C@]6(C(=O)O5)C)C)C(=O)OC)O)C)(C)C
Compound: Doramectin congener 3
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](C4CCCCC4)[C@@H](C)[C@H](C3)O)O[C@@H](C2)CC=C([C@@H](O)[C@H](C=CC=C(C5=C1C=C(C)C(=C5)O)C)C)C
Compound: 15-Hydroxy-(+)-epicubenol
SMILES: O[C@]12[C@H](C=C(CO)CC1)[C@@H](C(C)C)CC[C@@H]2C
Compound: Phomanone C
SMILES: O=C1O[C@@H](CC(=C1)OC)CCC(=O)OC
Compound: Pyrrospirone E
SMILES: O=C1[C@@]23C(=O)N[C@@](C2)(O)CC4=CC=C(O[C@H]5[C@@H]6[C@@H]1[C@@](C=C(C)[C@H]6[C@@]7(C[C@H](C)C[C@@H]([C@@H]57)C)C)(C)[C@@H](C3)O)C=C4
Compound: JBIR-74
SMILES: O=C/1N[C@@H](C(=O)N\C1=C/C=2NC=NC2)[C@H](CC)C
Compound: Lachnone B
SMILES: O=C1C(O)=C(OC2=C1C(O)=CC(=C2)CO)C
Compound: Ulongamide E
SMILES: S1C2=NC(=C1)C(=O)N[C@@H]([C@@H](C(=O)O[C@@H]([C@H](CC)C)C(N([C@H](C(N([C@H](C(N[C@H]2C)=O)C(C)C)C)=O)CC3=CC=C(O)C=C3)C)=O)C)CCC
Compound: (7beta)-3-Eudesmene-7,11-diol (7b-hydroxy-7-epi-a-eudesmol))
SMILES: O[C@@]1(C(O)(C)C)C[C@H]2C(=CCC[C@]2(C)CC1)C
Compound: Pyrrospirone G
SMILES: O=C1[C@@]23C(=O)N[C@@](C2)(O)CC4=CC=C(O[C@H]5[C@@H]6[C@@H]1[C@@](C=C(C)[C@H]6[C@@]7(C[C@H](C)C[C@@H]([C@@H]57)C)C)(C)C(C3)=O)C=C4
Compound: 3,8-dimethyl-9-hydroxy-cyclodeca-3,5-diene-1,2-diketone
SMILES: O=C1C(=O)CC(O)C(CC=CC=C1C)C
Compound: Schizotrin A
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(N[C@H](C(N[C@H](C(N[C@H](C(N\C1=C\C)=O)CO)=O)C(C)C)=O)CC4=CC=CC=C4)=O)CCC3)=O)CCC(=O)N)CC(OC(=O)[C@@H](N(C(=O)CCC)C)C)CC(O)C(O)CC(C)C)CCC2)CCC5=CC=C(OC)C=C5)CO
Compound: Deliseic acid
SMILES: O=C(OC1=CC(O)=C(C(=O)OC2=CC(O)=C(C(=O)O)C(=C2)C)C(=C1)C)C3=C(OC)C=C(O)C(=C3C)OC(=O)C
Compound: 2-Hydroxycyslabdan A
SMILES: S(C[C@]1(O)[C@@H](O)C[C@H]2C(C[C@@H](C[C@@]2([C@H]1C/C=C(/C=C)\C)C)O)(C)C)C[C@H](NC(=O)C)C(=O)O
Compound: Bis-7-O-8.8-O-8-zinniol
SMILES: O1CC2=C(OC)C(=C(OCC=C(C)C)C=C2COCC=3C(C1)=C(OC)C(=C(OCC=C(C)C)C3)C)C
Compound: Aminobenzoate C
SMILES: O=C(O)/C=C/C[C@H](O)[C@H](CC1=CC(O)=C(NC(=O)C)C=C1)CC
Compound: Pyrrospirone H
SMILES: O=C1[C@@]23C(=O)N[C@@](C2)(O)CC4=CC=C(O[C@H]5[C@@H]6[C@@H]1[C@@](C=C(C)[C@H]6[C@@]7(C[C@H](C)C[C@@H]([C@@H]57)C)C)(C)CC3)C=C4
Compound: Nitrosporeunol D
SMILES: O=C(O)CCCCC1=C(C=CC=C1)CO
Compound: Fumigatin oxide
SMILES: O=C1C(O)=C(OC)C(=O)C2C1(O2)C
Compound: 17-Hydroxycyslabdan A
SMILES: S([C@H](O)[C@]1(O)[C@@H](O)C[C@H]2C(CCC[C@@]2([C@H]1C/C=C(/C=C)\C)C)(C)C)C[C@H](NC(=O)C)C(=O)O
Compound: Aminobenzoate D
SMILES: O=C(O)C1=CC2=C(N3[C@@H](C(O)(C)C)CC[C@]([C@@H]3C2)(O)C)C=C1
Compound: Hymenosulfate
SMILES: S(=O)(=O)(O[C@@H]1CC2=CC[C@H]3[C@H]4[C@]([C@@H]([C@@H](/C=C(/[C@@H](C(C)C)C)\C)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC1)O
Compound: A21459 B
SMILES: S1C2=NC(=C1)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(NC(C(N(CC(NC2C)=O)C)=O)=C)=O)C)CC=3C4=C(C=CC(=C4)OC)NC3)CC=5C6=C(C=CC=C6)NC5
Compound: Duclauxin
SMILES: O=C1OC=C2C(=O)C3C45C=6C(C(=O)OC4)=C(O)C=C(C6C(C(C3(C=7C2=C1C(O)=CC7C)OC)C5OC(=O)C)=O)C
Compound: Pyrrospirone I
SMILES: O=C1[C@@]23C(=O)N[C@@](C2)(O)CC4=CC=C(O[C@H]5[C@@H]6[C@@H]1[C@@](C=C(C)[C@H]6[C@@]7(C[C@H](C)C[C@@H]([C@@H]57)C)C)(C)C=C3)C=C4
Compound: Nominine
SMILES: O[C@@H]1[C@@]2([C@]([C@H](C)CC1)(CCC([C@H]2CC=3C4=C(C=CC=C4)NC3)=C)C)CCC=C(C)C
Compound: (7S,8S,12E)-8,17-Epoxy-7-Hydroxylabda-12,14-diene
SMILES: O1[C@]2([C@@H](O)C[C@H]3C(CCC[C@@]3([C@H]2C/C=C(/C=C)\C)C)(C)C)C1
Compound: Micropeptin DR1056
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CCC(=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]1[C@H](CC)C)=O)CC4=CC=CC=C4)C)=O)CC(C)C)C3=O)O)CC5=CC=C(O)C=C5)C
Compound: Naphthalenecarboxylate B
SMILES: O=C(O)C1=CC2=C(O)C=C(C)C(=C2C=C1)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]3O)O
Compound: Roquefortine G
SMILES: O=C/1N2[C@](OC)(C(=O)N\C1=C\C=3N=CN(C3)C(CC(=O)C)(C)C)C[C@@]4([C@H]2NC=5C=CC=CC45)C(C=C)(C)C
Compound: Pyrropirone F
SMILES: O=C1[C@@]23C(=O)N[C@@](C2)(O)CC4CCC(O[C@H]5[C@@H]6[C@@H]1[C@@](C=C(C)[C@H]6[C@@]7(C[C@H](C)C[C@@H]([C@@H]57)C)C)(C)[C@H](C3)O)CC4
Compound: Raimonol
SMILES: O[C@@H]1C(=C)[C@@H]([C@]2(CCCC([C@@H]2C1)(C)C)C)C/C=C(/C=C)\C
Compound: Habiterpenol
SMILES: OC1=CC2=C(C[C@@H]3[C@]2(CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C=C1
Compound: Spiroxin A
SMILES: ClC1=C(O)C=2C(=O)[C@H]3O[C@H]3[C@]45C2C(=C1)[C@]6(O4)C7=C(C(O)=CC=C7O5)C(=O)[C@@H]8[C@H]6O8
Compound: Dimethyl 2-(4-hydroxyphenyl)-3-isobutylmaleate
SMILES: O=C(OC)/C(/C1=CC=C(O)C=C1)=C(\C(=O)OC)/CC(C)C
Compound: Glycosylatelactone A
SMILES: O=C1OC(=CC(=C1CC)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]2O)O)[C@H](CC)C
Compound: 2-isopentylquinoline-4-one
SMILES: O=C1C2=C(NC(=C1)CCC(C)C)C=CC=C2
Compound: Rhodestrin
SMILES: O=C(OC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/CCCCCO)\C)/C)/C)/C)/C)C=1C2=C(C=CC=C2)NC1CO
Compound: Blastmycetin F
SMILES: O=C1N[C@@H](CC2=C(NC=3C2=C(N(C1C(C)C)C)C=CC3)C(=O)C4=NCCC4)CO
Compound: Neoansamycin B
SMILES: O=C1[C@@]2([C@@]34OC(=C(CC)CCC[C@@H]1OC)C=5C3=C(C=CC5O)C([C@@]6([C@@H]2[C@@H](C(=O)N6)CCCCC)C4)=O)C
Compound: Ficiolide B
SMILES: O=C1O[C@@H](CC[C@@H](O)C=CC(=O)O[C@@H](CC[C@@H](C=C1)O)C)C
Compound: Dayaolingzhilactone A
SMILES: O=C1O[C@](O)(CCCCCCCCC(=O)O)C(=C1C)C
Compound: 2-(2,3-dimethylbutyl)quinoline-4-one
SMILES: O=C1C2=C(NC(=C1)C[C@@H](C(C)C)C)C=CC=C2
Compound: II,III-Tetrahydro-omega-(2,6,6-trimethylcyclohex-2-enylmethyl)menaquinone-6
SMILES: O=C1C2=C(C(=O)C(=C1C/C=C(/CCCC(CCCC(CC/C=C(/CC/C=C(/CC/C=C(/CCC3C(=CCCC3(C)C)C)\C)\C)\C)C)C)\C)C)C=CC=C2
Compound: Polysporin C
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)N)(C)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C)(C)C)CCC3)(C)C)C)(C)C)(C)C)CCC(=O)N)(C)C)C(CC)C)(C)C)CC(C)C)(C)C
Compound: quinacrine mustard dihydrochloride
SMILES: [H+].[H+].[Cl-].[Cl-].COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1
Compound: Pleosporallin A
SMILES: O1[C@]2([C@H](O)C=C([C@H]([C@@H]12)O)CO)C[C@H]3C(=CC[C@@H]4[C@@]3(CCC[C@@]4(CO)C)C)C
Compound: 6,13-dihydroxypunctaporonin E
SMILES: O[C@]12[C@](C[C@@H]1[C@]3([C@H](O)C=C[C@]3(C[C@@H]2O)C)CO)(CO)C
Compound: Tanzawaic acid Q
SMILES: O=C(O)/C=C/C=C/[C@H]1C(=C[C@@H](O)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C
Compound: Ilamycin B1
SMILES: O=[N+]([O-])C1=C(O)C=CC(=C1)C[C@@H]2NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC2=O)C)=O)C)CC(C)C)=O)CC(C)C)=O)C/C=C/C)CC=3C4=C(C=CC=C4)N(C3)C(C=C)(C)C)C)CC(C)C
Compound: Dayaolingzhilactone B
SMILES: O=C1OC(=CC=C1)/C=C/C=C/C
Compound: Nigrospoxydon B
SMILES: O=C1C(=C[C@@H](O)[C@@H]([C@H]1OC(=O)C(OC(C(=O)OC)CC2=CC=CC=C2)CC(C)C)O)CO
Compound: Trichoaurantianolide A
SMILES: O=C1O[C@@]2(C(C=O)=C)C=C3C(=O)C[C@H]([C@]3(C)C[C@@H]([C@]2(C1)C)OC(=O)C)C(C)C
Compound: Agrobactin
SMILES: O=C(NCCCN(C(=O)[C@H]1N=C(C2=C(O)C(O)=CC=C2)O[C@@H]1C)CCCCNC(=O)C3=C(O)C(O)=CC=C3)C4=C(O)C(O)=CC=C4
Compound: Dayaolingzhiol H
SMILES: O=C(O)[C@@H](CC(=O)C1=C(O)C=CC(=C1)O)CC/C=C(/CC/C=C(\CO)/C)\C
Compound: (3Z,6Z)-3-(4-hydroxybenzylidene)-6-isobutylidenepiperazine-2,5-dione
SMILES: O=C/1N/C(/C(=O)N\C1=C/C2=CC=C(O)C=C2)=C\C(C)C
Compound: ICR-170
SMILES: Cl[H].Cl[H].CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Compound: N-acetyl-N-demethylmayamycin
SMILES: O=C1C=2C(O)=C(C3=CC(C)=CC(=C3C2C(=O)C=4C1=C(O)C=CC4)O)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)NC(=O)C)C
Compound: Phepropeptin D
SMILES: O=C1N2[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]1CC3=CC=CC=C3)=O)CC(C)C)=O)C(CC)C)CC(C)C)CC4=CC=CC=C4)CCC2
Compound: AKD-2B1
SMILES: O=C(OC[C@@H](O)CO)CCCCCCCCCCCCCCCC(C)C
Compound: A-Pinene
SMILES: C1(=C[C@@H]2C(C)(C)[C@H](C1)C2)C
Compound: Setosphaerine A
SMILES: ClC1=C(O)C=C(O)C2=C1C=C(CC(O)CC(O)CCC)OC2=O
Compound: B-Pinene
SMILES: C1(=C)C[C@H]2C(C)(C)[C@@H](C1)C2
Compound: (-)-(7S,8R)-8-hydroxysydowic acid
SMILES: O=C(O)C1=CC(O)=C([C@@]2(OC(CC[C@H]2O)(C)C)C)C=C1
Compound: Isorhizopodin
SMILES: O=C1OC(C(C(O)CC(OC)C(CCC(=O)C(C(OC)CC=CN(C=O)C)C)C)(C)C)CC=2OC=C(N2)C(OC)CC=CC=CC(OC)CC(O)CC(=O)OC(C(C(CC3=NC(C(CC=CC=CC(CC(C1)O)OC)OC)=CO3)O)(C)C)CC(OC)C(CCC(=O)C(C(OC)CC=CN(C=O)C)C)C
Compound: Streptoanthraquinone A
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C4=C5[C@@H](O[C@@H]([C@@H]4OC(=O)C)C)CC6=C(C5=C3O)C=C(C)C=C6O
Compound: Terreinol
SMILES: O=C1C2=C(C(O)=C(C)C(=C2)O)CO[C@]13OCCC3
Compound: Janus Green B chloride
SMILES: [Cl-].CCN(CC)c1ccc2nc3ccc(cc3[n+](-c3ccccc3)c2c1)\N=N\c1ccc(cc1)N(C)C
Compound: Bovistol B
SMILES: O=C1C2=C(C(=C)C3([C@@]14OC5=C(C(=C(C)C6=C5C[C@@](CO)(C)C6)CCO)CC4)CC3)C[C@](C2)(CO)C
Compound: 1 ́-Methylzeatin riboside
SMILES: O1[C@@H](N2C3=NC=NC(=C3N=C2)NC(/C=C(\CO)/C)C)[C@H](O)[C@@H]([C@H]1CO)O
Compound: Trichoverrol A
SMILES: O=C(O[C@H]1[C@@]2([C@@]3([C@@H](C=C(C)CC3)O[C@H](C1)C24OC4)CO)C)\C=C/C=C/[C@H](O)[C@@H](O)C
Compound: Bovistol C
SMILES: O=C1C2=C([C@@](OC)(C)C3([C@@]14OC5=C(C(=C(C)C6=C5C[C@@](CO)(C)C6)CCO)CC4)CC3)C[C@](C2)(CO)C
Compound: Carpatamide C
SMILES: O=C(NC1=C(O)C=CC(=C1)CCC(=O)O)/C=C/C=C/CC(C)C
Compound: 5-Olefin phenylpyropene A
SMILES: O=C1OC(C2=CC=CC=C2)=CC3=C1C=C4[C@@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(COC(=O)C)C)C[C@@H]([C@]4(O3)C)OC(=O)C)C
Compound: Guamamide
SMILES: O=C(NC[C@H](O)CC(=O)OC)C(C(OC(=O)C)C(OC(=O)CCCCCCCCCCC)C)C
Compound: Cordyformamide
SMILES: O=CN/C(/C(/NC=O)=C/C1=CC(O)=C(O)C=C1)=C\C2=CC(O)=C(O)C=C2
Compound: 1 ́-Methylzeatin
SMILES: OC/C(=C\[C@@H](NC1=NC=NC2=C1NC=N2)C)/C
Compound: Pasteurestin C
SMILES: O=C(O)C1=C2[C@@]([C@H]3CC(C[C@H]3[C@@H]1O)(C)C)(CC2)C
Compound: 13-Dehydroxyl pyripyropene A
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@H]4[C@@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(COC(=O)C)C)C[C@@H]([C@]4(O3)C)OC(=O)C)C
Compound: Aniduquinolone B
SMILES: O=C1NC2=C(C(O)=C(/C=C/[C@@]3(O[C@@H](C(O)(C)C)CC3)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=CC=C4
Compound: Secoretipolide E
SMILES: O=C1O[C@](C(=O)OCCC2=CC=C(O)C=C2)(CC3=CC=C(O)C=C3)C(=C1O)C4=CC=C(O)C=C4
Compound: 3-hydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]-5-methoxy-furan-2-one
SMILES: O=C1O[C@@](OC)(CC2=CC=C(O)C=C2)C(=C1O)C3=CC=C(O)C=C3
Compound: Anhydrohapaloxindole B
SMILES: Cl[C@H]1[C@](C=C)([C@H](N=C=S)C2=C3C(=O)NC=4C3=C(C([C@H]2C1)(C)C)C=CC4)C
Compound: Mabetailiachelin
SMILES: S1C(=N[C@H](C1)[C@H]2SC[C@H](N2C)[C@@H](O)C(C(=O)O)(C)C)C3=C(O)C=CC=C3CCCCC
Compound: Ganoderic acid gamma
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)[C@@H](C[C@H](O)/C=C(/C(=O)O)\C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: ICM0301 E
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]1CC[C@@](C3)(O)C)C)/C)CC
Compound: Deacetylsesquiterpene
SMILES: O[C@@]12[C@@H](O)[C@H](O)C(C)=C[C@@H]1[C@H](C(=C)C)CC[C@H]2C
Compound: Chenopodolan E
SMILES: O=C(OC)/C=C(/C1=C2C(OC)=C(C)O[C@H]2OC(=C1)C)\C
Compound: Anhydrohapaloxindole M
SMILES: S=C=N[C@@H]1C2=C3C(=O)NC=4C3=C(C=CC4)C([C@H]2CC[C@@]1(C=C)C)(C)C
Compound: Bipolenin K
SMILES: O=C1OC[C@H]2[C@H]3[C@@H]1C(=C)[C@@]2(CC[C@@H]3C(O)(C)C)C
Compound: Citrinal B
SMILES: O=C1C(=C2[C@]3(O[C@@H](C)[C@@H](O[C@]3(C1)O)C)O[C@@H]([C@H]2C)C)C
Compound: Obscurolide-B2
SMILES: O=C1OC(C(O)/C=C/C)C(C1)NC2=CC=C(C=O)C=C2
Compound: 5-formyl-6-hydroxy-8-isopropyl-2-naphthoic acid
SMILES: O=C(O)C1=CC=2C(=C(C(O)=CC2C(C)C)C=O)C=C1
Compound: Aurantricholone
SMILES: O=C1C(O)=CC(/C=C/2\OC(=O)C(=C2O)C3=CC=CC=C3)=CC=4C1=C(O)C(O)=CC4/C=C/5\OC(=O)C(=C5O)C6=CC=CC=C6
Compound: Hapalonamide G
SMILES: Cl[C@H]1[C@](C=C)([C@H]([N+]#[C-])[C@@H]2C(=O)C=3C(NC=O)=CC=CC3C([C@H]2C1)(C)C)C
Compound: Bipolenin L
SMILES: O=C1OC[C@H]2[C@H]3[C@@H]1C(=C)[C@@]2(CC[C@@H]3C(CO)C)C
Compound: 6,8-dihydroxy-3-((1E,3E)-penta-1,3-dien-1-yl)isochroman-1-one
SMILES: O=C1O[C@H](/C=C/C=C/C)CC=2C1=C(O)C=C(O)C2
Compound: Shearinine H
SMILES: O=C1NC2=C(C(=O)C[C@H]3[C@]1([C@@]4([C@](O)(C5=CC(=O)[C@@H]6O[C@]5(OC6(C)C)CC4)CC3)C)C)C=C7CC8=C(C7=C2)CC(C)(C)OC8(C)C
Compound: Inostamycin
SMILES: O=C(O)[C@@H]([C@@]1(O[C@@]([C@@H](CC)[C@H]([C@@H]1C)O)([C@@H]([C@@H](O)[C@H](C(=O)[C@H]([C@H]2O[C@@]([C@@]3(O[C@]([C@@H](O)CCC)(CC)C[C@H]3C)O)(C)C[C@@H]2C)CC)C)C)C)O)CC
Compound: Jadomycin T
SMILES: O=C1C=2N3[C@@H](OC([C@@H]3[C@H](O)C)=O)C=4C=C(C)C=C(C4C2C(=O)C=5C1=C(O[C@@H]6O[C@H]([C@H](O)[C@@H](C6)O)C)C=CC5)O
Compound: Hapalonamide H
SMILES: O=C1C2=C(NC=O)C=CC=C2C(C)(C)[C@H]3[C@H]1[C@@H]([N+]#[C-])[C@@](C=C)(CC3)C
Compound: Bipolenin M
SMILES: O=C1OC[C@H]2[C@H]3[C@@H]1C(=C)[C@@]2(CC[C@]3(O)C(C)C)C
Compound: Carbamidocyclophane M
SMILES: BrCCCC[C@@H]1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCC[C@H](CCCC)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
Compound: Microviridin F
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](CCC(=O)OC)C(N[C@@H](CC(NCCCC[C@@H](C(N[C@H]1CC3=CC=C(O)C=C3)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC4=CC=CC=C4)CO)[C@H](O)C)CC5=CC=C(O)C=C5)=O)C(=O)N[C@H](C(=O)O)CC6=CC=C(O)C=C6)=O)CC7=CC=CC=C7)CC(=O)O)CO)CCC2
Compound: (22R)-(17bH,21bH)-bis-Homohopan-32-ol acetate
SMILES: O=C(OCCC[C@H]([C@@H]1[C@H]2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5([C@H](C(CCC5)(C)C)CC4)C)CC3)C)(C)CC2)(C)CC1)C)C
Compound: Tremulenediol C
SMILES: O[C@H]1C2=C([C@H](CC[C@@H]([C@@H]2CC1(C)C)C)CO)C
Compound: Bipolenin N
SMILES: OC1([C@]2([C@@H](CO)[C@@H]([C@H]1CO)[C@@H](C(C)C)CC2)C)CO
Compound: Hapalonamide V
SMILES: Cl[C@H]1[C@](C=C)([C@H]([N+]#[C-])[C@]2(O)C(=O)C=3C(NC=O)=CC=CC3C([C@H]2C1)(C)C)C
Compound: Carbamidocyclophane N
SMILES: BrCCCC[C@@H]1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCC[C@H](CCCCBr)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
Compound: [(1R,5R,5aS,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate
SMILES: O=C(O[C@@H]1C=C2[C@](O)([C@H](O)OC2)[C@@]3([C@@H]1C(CCC3)(C)C)C)/C=C/C=C/C=C/C
Compound: Pyrenulic acid F
SMILES: O=C(O)/C=C/C=C/[C@@H]1O[C@H]([C@@](O)(C)[C@@H]2[C@@]([C@H]1O)(O)[C@@H]3[C@H](CC(C)=CC3)C=C2C)[C@H](CC)C
Compound: 1-Hydroxydehydroherbarin
SMILES: O=C1C2=C(C(=O)C3=C1C=C(OC)C=C3OC)[C@H](OC(=C2)C)O
Compound: Dechlorofontonamide
SMILES: O=C1C2=C(NC=O)C=CC=C2C(C)(C)[C@@H]3C1=C[C@@](C=C)(CC3)C
Compound: Heydenoic acid A
SMILES: O=C1C=C([C@H]2[C@@]([C@@H]1C2)(CC/C=C(/C(=O)O)\C)C)C
Compound: Teraspiridole D
SMILES: O=C1OC([C@@H]2C[C@H](OC(=O)C)[C@@]3([C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3C[C@@]5(C6=C(C=CC=C6)N7[C@@H]5NC8(CC8)C7=O)O4)C)C)(C)C
Compound: Carbamidocyclophane O
SMILES: BrC(Br)CCC[C@@H]1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCC[C@H](CCCC)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
Compound: 1-[4-(Hydroxymethyl)phenyl]hexan-1-ol
SMILES: O[C@H](C1=CC=C(CO)C=C1)CCCCC
Compound: Balticol F
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@@H]3OC(C[C@@]3(C1)O)(OC)C
Compound: 2 ́ ́-Deoxy-trans-zeatin riboside
SMILES: O1[C@@H](N2C3=NC=NC(=C3N=C2)NC/C=C(/CO)\C)C[C@@H]([C@H]1CO)O
Compound: [(5R,6R,9R,10S,11S,12R)-2,6-dihydroxy-7,10,11-trimethyl-4,14-dioxatetracyclo[7.4.1.02,11.05,10]tetradec-7-en-12-yl] (E)-but-2-enoate
SMILES: O=C(O[C@H]1[C@@]2([C@]3([C@H]4C=C(C)[C@H]([C@@H]3OCC2(O)C(C1)O4)O)C)C)/C=C/C
Compound: Heydenoic acid B
SMILES: O=C1C=C([C@H]2[C@@]([C@@H]1C2)(CCCC(C(=O)O)C)C)C
Compound: Deoxynortryptoquivaline
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]4NC(C)C6=O
Compound: Carbamidocyclophane P
SMILES: BrC(Br)CCC[C@@H]1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCC[C@H](CCCCBr)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
Compound: 4alpha-(3,5-dihydroxy-heptyl)-3alpha-methyl-2-oxetanone
SMILES: O=C1O[C@H](CCC(O)CC(O)CC)[C@H]1C
Compound: 3-[[2,5-dihydroxy-4-[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-2-(3-methylbut-2-enyl)-1H-indole-7-carboxylic acid
SMILES: O=C1C(O)=C(C(=O)C(=C1CC=2C3=C(C(C(=O)O)=CC=C3)NC2CC=C(C)C)O)CC=4C5=C(C=CC=C5)NC4CC=C(C)C
Compound: Carbamidocyclophane Q
SMILES: BrC(Br)CCC[C@@H]1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCC[C@H](CCCC(Br)Br)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
Compound: (2Z,4E)-3-methyl-2,4-decadienoic acid
SMILES: O=C(O)/C=C(\C=C\CCCCC)/C
Compound: Teleocidin A-2
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1C(C)C)C)C=CC3[C@](C=C)(CCC=C(C)C)C)CO
Compound: 3‘-Demethoxy-6‘-desmethyl-5‘-methoxycandidusin B
SMILES: O1C2=C(C(O)=C(OC)C(=C2)C3=CC(O)=C(O)C=C3)C4=C1C=C(O)C(=C4)O
Compound: Promoinducin
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N/C(/C=3OC(C)=C(N3)C(=O)NC(OC)C=4SC=C(N4)C(N\C(\C5=NC(C(NC(C(NC(C6=NC(C7=C2C=CC(=N7)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)=C)=C)=C)=C)=CO6)=C)=O)=C)=O)=C(O5)C)=C/C)=O)=C\C(O)C)[C@H](O)C
Compound: Carbamidocyclophane R
SMILES: BrCCCC[C@@H]1C2=C(O)C=C([C@H](O)[C@H](CCCC[C@H](CCCC)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
Compound: Nanangenine F
SMILES: O=C(O[C@@H]1C=C([C@](O)(C=O)[C@@]2([C@@H]1C(CC[C@H]2O)(C)C)C)C)CCCCC
Compound: Wortmannine A
SMILES: O=C1O[C@@H]([C@@]2(C=3[C@H](O)C[C@]4([C@H](C3C([C@@H]2C1)=O)CCC4=O)C)C)COC
Compound: Epothilone D 3-alpha-D-arabinofuranoside
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O[C@H]3O[C@H](CO)[C@H](C3O)O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCCC=CC2)C)C)(C)C)\C)C
Compound: Pentalenolactone G
SMILES: O=C1OC[C@H]2C(C(=O)O)=C[C@H]3[C@]2([C@]14OC4)CC(C)(C)C3=O
Compound: Melithiazol H
SMILES: S1C(=NC(=C1)/C=C/C(OC)C(/C(/OC)=C\C(=O)OC)C)C=2N=C(CC)SC2
Compound: Nanangenine G
SMILES: O=C(O[C@@H]1C=C([C@](O)(CO)[C@@]2([C@@H]1C(CC[C@H]2O)(C)C)C)CO)CCCCC
Compound: Carbamidocyclophane S
SMILES: BrC(Br)CCC[C@@H]1C2=C(O)C=C([C@H](O)[C@H](CCCC[C@H](CCCC)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
Compound: Hypoxypropanamide
SMILES: O=C(NCC1=CC=CC=C1)CCC2=CC=C(O)C=C2
Compound: Blastmycetin E
SMILES: O=C1N[C@@H](CC2=CN3CC=C(C)CC[C@@H](C4=C3C2=C(N([C@H]1C(C)C)C)C=C4)C(C)(C)C)CO
Compound: 4-(Methylsulfanyl)butan-2-ol
SMILES: S(CC[C@H](O)C)C
Compound: (E)-nodulisporacid A
SMILES: O=C/1O[C@H](CC(=O)O)C(\C1=C\2/O[C@](CC(CC)C)(C)C=C2)=O
Compound: Nanangenine H
SMILES: O=C(O[C@@H]1C=C2[C@](O)(CO[C@H]2OC)[C@@]3([C@@H]1C(CC[C@H]3O)(C)C)C)CCCCC
Compound: Lemonomycin
SMILES: O=C1C(OC)=C(C(=O)C2=C1[C@@H](N3[C@@H](O)[C@@H]4C[C@H]([C@H]([C@@H]3C2)N4)C(O)O)CO[C@@H]5O[C@H]([C@@H](N(C)C)[C@](C5)(O)C)C)C
Compound: Carbamidocyclophane T
SMILES: BrC(Br)CCC[C@@H]1C2=C(O)C=C([C@H](O)[C@H](CCCC[C@H](CCCCBr)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
Compound: Pentalenolactone H
SMILES: O=C1OC[C@H]2C(C(=O)O)=C[C@H]3[C@]2([C@]14OC4)CC(C)(C)[C@@H]3O
Compound: Aspartocin E
SMILES: O=C1N2[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(N[C@@H](C(N[C@H](C(N3[C@H](C(NC([C@@H]1NC(=O)[C@@H](NC(=O)CC=CCCCCC(C)C)CC(=O)O)C)=O)CCC3)=O)C(C)C)=O)C(N)C)=O)CC(=O)O)CC(=O)O)C(C(=O)O)C)CCCC2
Compound: Stachyboside B
SMILES: O=CC1=C(C=C(O)C2=C1O[C@]3([C@@]4([C@H](C([C@H](O)[C@@H](C4)O)(C)C)CC[C@H]3C)C)C2)CO[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO
Compound: Nanangenine A
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CC[C@H]3O)(C)C)[C@@H](C2)O)C
Compound: Carbamidocyclophane U
SMILES: BrC(Br)CCC[C@@H]1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCC[C@H](CCCC(Br)Br)C3=C(C=C([C@@H]([C@H](CCCC1)C)O)C=C3O)O)C)C=C2O
Compound: Platensimycin D1
SMILES: S(C(=O)C1=C(O)C(NC(=O)CCC2(C(=O)C=CC34C2C5OC(C3)(C)C(C4)C5)C)=C(O)C=C1)C6C78C(C(CCC(=O)NC9=C(O)C(C(=O)O)=CC=C9O)(C)C(C6)=O)C%10OC(C7)(C)C(C8)C%10
Compound: 3-methoxy-3-epiradicinol
SMILES: O=C1OC(=CC2=C1[C@@H](OC)[C@@H](O)[C@@H](O2)C)/C=C/C
Compound: Spirohexaline
SMILES: O=C1C2=C(O)C3=C(O)C=C(OC)C4=C3C(=C2[C@@H](O)[C@]5([C@]1(O)C(O)=C(C(=O)C5)C(=O)C)O)C[C@@]64C(=CCCC6(C)C)C
Compound: Sch 38511
SMILES: O=C1NCCCC(C(OC2OC(C(O)C(C2O)N)C)CCC(CCCC1C)C)C
Compound: Nanangenine D
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CC[C@H]3O)(C)C)[C@@H](C2)OC(=O)CCCCCCC)C
Compound: Ile+CO[Lys+Val+Hph+MeHty+MetO]
SMILES: S(=O)(CC[C@@H]1N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](C(C)C)NC([C@H](CCCCNC1=O)NC(=O)N[C@H](C(=O)O)[C@H](CC)C)=O)CCC2=CC=CC=C2)C)CCC3=CC=C(O)C=C3)C)C
Compound: Isonanangenine D
SMILES: O=C1OC[C@]2(C1=C[C@@H](OC(=O)CCCCCCC)[C@H]3C(CC[C@H]([C@]23C)O)(C)C)O
Compound: 6,12-Dihydroxy-1,4-eudesmadien-3-one
SMILES: O=C1C(=C2C(CCC(C2O)C(CO)C)(C)C=C1)C
Compound: 5,5′-epoxy-MKN-349A
SMILES: O=C1N2[C@H]3O[C@@H]4N(C(=O)[C@@H](NC([C@@H]2CC3)=O)CC(C)C)[C@H](C(N[C@H]1[C@H](CC)C)=O)CC4
Compound: Cristatin A
SMILES: O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C(=C(CC=C(C)C)C=C3)CC=C(C)C)NC2C(C=C)(C)C)C
Compound: Thiomelin
SMILES: ClC1=C2OC3=C(OC)C(=CC(=C3C(C2=C(O)C(=C1)Cl)=O)O)C
Compound: Phe+CO[Lys+Val+Leu+MeHty+MetO]
SMILES: S(=O)(CCC1N(C(=O)C(N(C(=O)C(NC(=O)[C@H](C(C)C)NC(C(CCCCNC1=O)NC(=O)NC(C(=O)O)CC2=CC=CC=C2)=O)CC(C)C)C)CCC3=CC=C(O)C=C3)C)C
Compound: Prenylagaramide C
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H]1[C@H](CC)C)=O)=O)CC(C)C)=O)CC4=CC=C(OCC=C(C)C)C=C4)=O)C)CCC(=O)N)CCC3)CC(C)C)CCC2
Compound: Secobotrydiene-3,4,10,15-tetraol
SMILES: OC(C1=C(/C(=C\C)/CO)[C@](CO)(C)CC1(C)C)CO
Compound: Fogacin
SMILES: O=C1C2=C(O)C3=C(C[C@H](CC(=O)O)O[C@H]3C)C=C2C(O)CC1
Compound: Bourbon-11-ene
SMILES: C(=C)([C@H]1[C@@H]2[C@]([C@H]3CC[C@H]([C@@H]23)C)(C)CC1)C
Compound: Nanangenine E
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)CCCCCCC)C
Compound: Ile+CO[Lys+Val+Hph+MeHty+AcSer]
SMILES: S(CCC1N(C(=O)C(N(C(=O)C(NC(=O)[C@H](C(C)C)NC(C(CCCCNC1=O)NC(=O)NC(C(=O)O)C(CC)C)=O)CCC2=CC=CC=C2)C)CCC3=CC=C(O)C=C3)C)C
Compound: N6-Tuberculosinyladenosine
SMILES: O1[C@@H](N2C3=NC=NC(=C3N=C2)NC/C=C(/CC[C@]4([C@H]5C(=CC[C@@H]4C)C(CCC5)(C)C)C)\C)[C@H](O)[C@@H]([C@H]1CO)O
Compound: Pyrenophoric acid
SMILES: O=C(O)\C=C(/C=C/[C@H]1C([C@H](O)[C@H](O)C[C@H]1C)(C)C)\C
Compound: MTC D
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)CC(C(=O)NC(CO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)N)(CC)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)C)(C)C)C)(C)C)(C)C)CCC(=O)N)(C)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: Pochonin F
SMILES: O=C1O[C@@H](CC=CC(O)CC=CC(CC=2C1=C(O)C=CC2)=O)C
Compound: Skeletocutin M
SMILES: O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCCCCC=2C(=O)OC(C2C)=O)C
Compound: (1beta,4alpha,5beta,6alpha,7beta,10beta)-1,6,11-Eudesmanetriol
SMILES: OC([C@H]1[C@H](O)[C@H]2[C@@]([C@H](O)CC[C@H]2C)(C)CC1)(C)C
Compound: Phe+CO[Lys+Val+Hty+MeGly+Phe]
SMILES: O=C1N(CC(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)NC(C(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4)C
Compound: (1S,3R,5R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one
SMILES: O=C1C[C@H]2O[C@H](C)C[C@@H](C1)C2
Compound: ethyl 2,4-dihydroxy-5,6-dimethylbenzoate
SMILES: O=C(OCC)C1=C(O)C=C(O)C(=C1C)C
Compound: Pamamycin-635C
SMILES: O=C1O[C@H]([C@@H]([C@H]2O[C@@H]([C@@H](C(=O)O[C@H]([C@@H]([C@H]3O[C@@H]([C@H]1CC)CC3)C)[C@@H]([C@@H]4O[C@H](C[C@H](N(C)C)CCC)CC4)C)C)CC2)C)CCC
Compound: Skeletocutin N
SMILES: O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCCCCCCC=2C(=O)OC(C2C)=O)C
Compound: 11,12,13-Trinor-1,3,5,8-eudesmanetetrol
SMILES: O[C@@]12[C@]([C@H](O)C[C@@H]([C@H]1C)O)(C[C@H](O)CC2)C
Compound: Eutypenoid A
SMILES: O=C1C2=C(C(=CC=C2[C@]3(OCCC[C@@]4(C3=C1OC4)C)C)C)C=C
Compound: Oxepinamide F
SMILES: O=C1N2C(N=C3[C@]1(OC)C=CC=CO3)=C(NC([C@@H]2CC4=CC=CC=C4)=O)[C@H](CC)C
Compound: Marinoazepinone B
SMILES: O=C1C=2NC=CC2C=3C=CC=CC3N[C@H]1C4=CC=C(O)C=C4
Compound: Bacilosarcin A
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@H]2O[C@](O)([C@]3(NC(C[C@@H]2N3)=O)C)C)CC(C)C)CC=4C1=C(O)C=CC4
Compound: Skeletocutin O
SMILES: O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCCCC/C=C(/C(=O)O)\CC(=O)O)C
Compound: Eutypenoid B
SMILES: O=C1C(O)=C2[C@@](C=CCC2(C)C)(C)C/3=C1[C@H](O)[C@@](C=C)(C)C\C3=N/O
Compound: Chloroxaloterpin A
SMILES: ClC1=C(NC(=O)NC(=O)O[C@H]2C([C@@H]3[C@@](C4=CC[C@@](C=C)(C)C[C@@H]4CC3)(C)CC2)(C)C)C=CC=C1
Compound: 3alpha,12alpha-Dihydroxy-7-ketocholanic acid
SMILES: O=C1C2C([C@]3(CC[C@H](CC3C1)O)C)C[C@H](O)[C@]4(C2CCC4[C@@H](CCC(=O)O)C)C
Compound: Preubetaomerin EG1
SMILES: O=C1C2=C3C(O[C@@]45C=6C(=C(O)C=CC6O[C@@]3(O4)C=C1)C(=O)CC5)=CC=C2
Compound: Xylapyrone E
SMILES: O=C1OC(=CC(=C1)OC)CCCCO
Compound: Skeletocutin Q
SMILES: O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCCCCC(C(=O)O)C(C(=O)O)CC(=O)O)C
Compound: Lyngbyapeptin 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=C(/OC)\C)C)CC3=CC=C(OC)C=C3)C)CC(C)C)C)C(C)C)CCC2
Compound: Eutypenoid C
SMILES: O=C(OC[C@@]1(C2=C(O)C(O)=C3[C@H](O)[C@@](C=C)(C)C[C@@H]4C3=C2[C@@H](CO4)C[C@@H]1OC(=O)C)C)C(C)C
Compound: 7-Hydroxy-6-demethyl-6-deoxyerythromycin D
SMILES: O=C1O[C@@H]([C@@H]([C@H](O)[C@H](C(=O)[C@H](C)C(C[C@@H]([C@H]([C@@H]([C@H]1C)O[C@@H]2O[C@H]([C@H](O)[C@@](C2)(O)C)C)C)O[C@@H]3O[C@@H](C[C@@H]([C@H]3O)N(C)C)C)O)C)C)CC
Compound: Chloroxaloterpin B
SMILES: ClC1=C(NC(=O)C(=O)O[C@H]2C([C@@H]3[C@@](C4=CC[C@@](C=C)(C)C[C@@H]4CC3)(C)CC2)(C)C)C=CC=C1
Compound: (3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
SMILES: O=C(OC1=CC(O)=CC(=C1)CCCCCCC)C2=C(O[C@@H]3O[C@@H]([C@H](O)[C@@H]([C@H]3O)O)CO[C@@H]4O[C@@H]([C@H](O)[C@@H]([C@H]4O)O)CO)C=C(O)C=C2CCCCCCC
Compound: Acetylated alpha-Cyclosophorotridecaose
SMILES: O1C2OC(C(O)C(C2OC3OC(C(O)C(C3OC4OC(C(O)C(C4OC5OC(C(O)C(C5OC6OC(C(O)C(C6OC7OC(C(O)C(C7OC8OC(COC9C(OC%10C(OC%11C(OC%12C(OC%13C(OC%14C1C(O)C(O)C(O%14)CO)C(O)C(O)C(O%13)CO)C(O)C(O)C(O%12)CO)C(O)C(O)C(O%11)CO)C(O)C(O)C(O%10)CO)C(O)C(O)C(O9)CO)C(O)C(C8O)O)O)CO)O)CO)O)CO)O)CO)O)CO)O)CO
Compound: Salinipostin B
SMILES: [P@]1(=O)(OC(=C2C(=O)OC[C@H]2CO1)CCCC)OCCCCCCCCCCCCCC
Compound: Karimunone A
SMILES: O=C1C2=C(O)C(OC)=CC(=C2C(=O)C3=C1C(=C(O)C=C3O)C(=O)C)O
Compound: Rufomyzaine
SMILES: O=C1N([C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)N(C2)C(C=C)(C)C)CC(C)C)C
Compound: Iturin F1
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)CC(=O)N)=O)CC3=CC=C(O)C=C3)=O)CC(=O)N)=O)CCCCCCCCCCCC(C)C)CO)CC(=O)N)C[C@H](C2)O
Compound: 3-formyl-L-tyrosine
SMILES: O=C(O)[C@@H](N)CC1=CC(=C(O)C=C1)C=O
Compound: Albatrelin B
SMILES: O1C2=C(O)C(=CC(=C2C=C[C@]1(CC/C=C(/CCC=C(C)C)\C)C)OC)C
Compound: Karimunone B
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2)CC3=C(C(O)=CC(=C3)O)C(=O)C
Compound: Iturin F2
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)CC(=O)N)=O)CC3=CC=C(O)C=C3)=O)CC(=O)N)=O)CCCCCCCCCCC(CC)C)CO)CC(=O)N)C[C@H](C2)O
Compound: Cylindrocyclophane C2
SMILES: ClC(Cl)CCC[C@@H]1C2=C(O)C=C(C[C@H](CCCC[C@H](CCCC)C3=C(C=C([C@@H]([C@H](CCCC1)C)O)C=C3O)O)C)C=C2O
Compound: Leptosphaerin D
SMILES: O=C1C2=C(OCC=3C1=C(O)C=C(C)C3O)C=CC=C2O
Compound: Atolypene B
SMILES: O=C1C(C2=CC[C@@H]3[C@]([C@@H](C)CC[C@]3([C@@H]2CC1)C)(CC/C(=C/CC(N)C(=O)O)/C)C)(C)C
Compound: Pigmentosin B
SMILES: O=C1OC(CC=2C1=C(O)C3=C(O)C=C(OC)C(=C3C2)C4=C(OC)C=C(O)C=5C4=CC=6CC(C)OC(C6C5O)=O)C[C@H](O)C
Compound: Atolypene A
SMILES: O=C1C(C2=CC[C@@H]3[C@]([C@@H](C)CC[C@]3([C@@H]2CC1)C)(CC/C(=C/CC[C@H](N)C(=O)O)/C)C)(C)C
Compound: (-)-Hexylitaconic acid
SMILES: O=C(O)C(=C)[C@@H](C(=O)O)CCCCCC
Compound: Thermobiszeaxanthin Z2-13-13
SMILES: O=C(OCC1OC(O[C@@H]2CC(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C3=C(C[C@@H](OC4C(O)C(O)C(O)C(C4)COC(=O)CCCCCCCCCC(C)C)CC3(C)C)C)\C)\C)/C)/C)C(C2)(C)C)C)C(O)C(C1O)O)CCCCCCCCCC(C)C
Compound: Astellolide C
SMILES: O=C1OCC2=C1C[C@@H](O)[C@@H]3[C@@]2([C@@H](O)CCC3(C)C)C
Compound: Iturin A9
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)CC(=O)N)=O)CC3=CC=C(O)C=C3)=O)CC(=O)N)=O)CCCCCCCCCCCC(C)C)CO)CC(=O)N)CCC2
Compound: Glycoasperfuran
SMILES: O1[C@@H](OC2=CC(O)=C3O[C@H](CC3=C2)C=CC=CC)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)OC
Compound: Hapalindole A
SMILES: Cl[C@H]1[C@](C=C)([C@H](N=C)[C@H]2C=3C=4C(=CC=CC4C([C@H]2C1)(C)C)NC3)C
Compound: Wickerol A
SMILES: O[C@@]1([C@@H]2[C@H]3[C@@]4(C([C@@H](CC[C@H]4C)C[C@]3(C)CC2)(C)C)CC1)C
Compound: Cyclipostin S
SMILES: P1(=O)(OC(=C2C(=O)OC[C@@H]2CO1)CC)OCCCCCCCCCCCCCCCC
Compound: Gloeophyllin J
SMILES: O=C1[C@H]([C@@]2([C@H]([C@](C(=O)O)([C@@H](O)CC2)C)CC1)C)C[C@H](OC(=O)C)[C@@]3(C(=O)CC[C@H]3[C@@H](CCC(=C)C(C)C)C)C
Compound: Nectriacid A
SMILES: O=C(O)/C=C(/C=C(/C=C/C=C(/C=C/C(=O)O)\C)\C)\C
Compound: Beauverolide Jb
SMILES: O=C1O[C@H]([C@H](CCCC)C)CC(=O)N[C@@H](CC=2C3=C(C=CC=C3)NC2)C(N[C@H](C(N[C@@H]1CC(C)C)=O)CC4=CC=CC=C4)=O
Compound: Hapalindole B
SMILES: Cl[C@H]1[C@](C=C)([C@H](N=C=S)[C@H]2C=3C=4C(=CC=CC4C([C@H]2C1)(C)C)NC3)C
Compound: TPU-0037-D
SMILES: O=C1NCC(C1=C(O)C2(C3C(C=C(C2CCC(C(O)/C(=C/CC(O)/C=C/C(C(O)/C=C/CC(O)/C(=C/CC(O)CC4N(C(=N)N)CCC4)/C)C)/C)C)C)C(O)CCC3)C)=O
Compound: Nectriacid B
SMILES: O=C(OC)/C=C/C(=C/C=C/C(=C/C(=C/C(=O)O)/C)/C)/C
Compound: Pretenellin A
SMILES: O=C1N[C@@H](CC2=CC=C(O)C=C2)C(C1=C(O)/C=C/C(=C/[C@@H](CC)C)/C)=O
Compound: 6-epi-Ophiobolin L
SMILES: O=C1OC2(O)C[C@](O)(C)[C@@H]3[C@@H]2C1=CC[C@H]4[C@]5(O[C@@H](C=C(C)C)C[C@@H]5C)CC[C@]4(C)C3
Compound: (8S,10S)-8,10-Dimethyl-1(9)-octalin
SMILES: C1=CCC[C@]2([C@H]1[C@H](CCC2)C)C
Compound: (3S)-3-isopropenyl-6-oxoheptanoyl-CoA
SMILES: CC(=O)CC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(C)=C
Compound: cardol
SMILES: CCCCCCCCCCCCCCCc1cc(O)cc(O)c1
Compound: P_24306
SMILES: [N+](#N)CC1=CC=C(CCC)C=C1
Compound: Lichenicolin A
SMILES: O=C1O[C@H]2[C@H](O[C@@H](C2)C)C=3C1=C(O)C4=C(O)C(C5=C(O)C6=C(O)C=7C(=O)O[C@@H]8C[C@H](O[C@@H]8C7C=C6C=C5OC)C)=C(OC)C=C4C3
Compound: Aurachin P
SMILES: O1C=2C(=[N+]([O-])C3=CC=CC=C3C2[C@@H]([C@@H]1[C@@](O)(CC/C=C(/CCC=C(C)C)\C)C)O)C
Compound: Nectriacid C
SMILES: O=C(OC)/C=C/C(=C/C=C/C(=C\C(=C\C(=O)O)\C)/C)/C
Compound: Lipoamide B
SMILES: O=C(O)[C@@H](NC(=O)CCCCCCCCC(C)C)CC(=O)N
Compound: Methylbenzastatin K
SMILES: O=C(O)C1=CC2=C(NCC(=CC2)CCC(=C(C)C)C)C=C1
Compound: N_12799
SMILES: O=C(O)CC/C=C/C(=O)CCCCCCCCCCCC
Compound: Azalomycin F4a
SMILES: O=C1OC(C(C=CC=C(C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC=C1C)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(CCC/C=C/CCCNC(=NC)N)C
Compound: 3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydodec-5-enoyl]oxydecanoic acid
SMILES: O=C(OC(CC(=O)O)CCCCCCC)CC(O[C@@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)O)C)C/C=C/CCCCCC
Compound: Trichokonin-Ib
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)N)(C)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C)(C)C)(C)C)C)(C)C)C)CCC(=O)N)(C)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: Keratinicyclin A
SMILES: ClC1=C2OC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O[C@@H]5O[C@@H](O)[C@H](O)[C@H]([C@H]5O)O)O)CO)C=6OC7=CC=C([C@H]8OC(=O)N[C@H]8C(N[C@H](C(N[C@H](C(=C3)C6)C(=O)N[C@H]9C(N[C@@H]([C@@H](C(=C1)C=C2)O[C@@H]%10O[C@H]([C@H](OC)[C@H](C%10)N)C)C(=O)N[C@@H](C%11=C(C(O[C@H]%12O[C@@H]([C@@H](O)[C@@H]([C@@H]%12O)O)CO)=CC(=C%11)O)C=%13C=C9C=CC%13O)C(=O)O)=O)=O)CC%14=CC=CC=C%14)=O)C=C7
Compound: Aqabamycin F
SMILES: O=[N+]([O-])C1=C(O)C=CC(=C1)C2=C(O)NC(=C2C3=CC([N+](=O)[O-])=C(O)C=C3)N=O
Compound: Greensporone A
SMILES: ClC1=C(O)C=C(OC)C2=C1CC(=O)C=CCCC(CC[C@@H](OC2=O)C)=O
Compound: Roseoferin D1
SMILES: O=C(NC(C(=O)NC(CNCCO)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(CCCCCCCC)C)CCC1)CC(CC(O)CC(=O)CC)C)C)(C)C)C(C)C)C(C)C)(C)C
Compound: Benzastatin K
SMILES: O=C(O)C1=CC2=C(NCC(=CC2)CCC=C(C)C)C=C1
Compound: Keratinimicin A
SMILES: ClC1=C2OC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O[C@@H]5O[C@@H](O)[C@H](O)[C@H]([C@H]5O)O)O)CO)C=6OC7=CC=C([C@@H](O)[C@@H](NC(=O)[C@H](N)C8=CC(Cl)=C(O)C=C8)C(N[C@H](C(N[C@H](C(=C3)C6)C(=O)N[C@H]9C(N[C@@H]([C@@H](C(=C1)C=C2)O[C@@H]%10O[C@H]([C@H](OC)[C@H](C%10)N)C)C(=O)N[C@@H](C%11=C(C(O[C@H]%12O[C@@H]([C@@H](O)[C@@H]([C@@H]%12O)O)CO)=CC(=C%11)O)C=%13C=C9C=CC%13O)C(=O)O)=O)=O)CC%14=CC=CC=C%14)=O)C=C7
Compound: 3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic acid
SMILES: O=C(OC(CC(=O)O)CCCCCCCCC)CC(O[C@@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)O)C)C/C=C/CCCC
Compound: 25-methoxy-24-oxokibdelone C
SMILES: O=C1N(C(OC)(C(=O)C=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C([C@@H](O)C[C@@H]([C@@H]6O)O)OC5C(=C4CCC3C2O)OC)CCC)C
Compound: Satratoxin H 12',13'-diacetate
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(OC(=O)C)C)C
Compound: Tanzawaic acid L
SMILES: O=C(O)/C=C/C=C/C1=C(C=C[C@@H]2[C@@H]1[C@@H](C[C@](C2)(O)C)C)C
Compound: 7-Hydroxylbenzastatin F
SMILES: O=C(O)C1=CC2=C(N[C@@H](C2)[C@](O)(CCC(=C(C)C)C)C)C=C1
Compound: Pretrichodermamide D
SMILES: S1S[C@@H](C2=C(O)C(OC)=C(OC)C=C2)[C@@H]3C(N4[C@]1(C(=O)N3C)C[C@]5(O)C=C[C@H]([C@H]([C@@H]5O4)O)O)=O
Compound: Keratinimicin C
SMILES: ClC1=C2OC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O[C@@H]5O[C@@H](O)[C@H](O)[C@H](C5)N)O)CO)C=6OC7=CC=C([C@@H](O)[C@@H](NC(=O)C(=O)C8=CC(Cl)=C(O)C=C8)C(N[C@H](C(N[C@H](C(=C3)C6)C(=O)N[C@H]9C(N[C@@H]([C@@H](C(=C1)C=C2)O[C@@H]%10O[C@H]([C@H](OC)[C@H](C%10)N)C)C(=O)N[C@@H](C%11=C(C(O[C@H]%12O[C@@H]([C@@H](O)[C@@H]([C@@H]%12O)O)CO)=CC(=C%11)O)C=%13C=C9C=CC%13O)C(=O)O)=O)=O)CC%14=CC=CC=C%14)=O)C=C7
Compound: 1,2,3,11b-tetrahydroquinolactacide
SMILES: O=C1C2=C(NC3=C1C(=O)N4CCC[C@@H]34)C=CC=C2
Compound: Reveromycin A
SMILES: O=C(O)C=C(C=CC1OC2(OC(C(C)CC2)CC=C(C=CC(O)C(C=CC(=O)O)C)C)CCC1(OC(=O)CCC(=O)O)CCCC)C
Compound: 7-Hydroxyl-O-demethylbenzastatin A
SMILES: O=C(O)C1=CC(=C(N)C=C1)C/C=C(\CO)/CCC(=C(C)C)C
Compound: Xylaromanone C
SMILES: O=C1C2=C(O[C@](C1)(C(=O)OC)[C@H]3OC(=O)C[C@@H]3C)C(C4=C5O[C@@](C(=O)OC)([C@H]6OC(=O)CC6)CC(C5=C(O)C=C4C)=O)=CC=C2O
Compound: Pretrichodermamide E
SMILES: S1S[C@@H](C2=C(O)C(OC)=C(OC)C=C2)[C@@H]3C(N4[C@]1(C(=O)N3C)C[C@]5(O)C=C[C@@H]([C@H]([C@@H]5O4)O)O)=O
Compound: Loihichelin E
SMILES: O=C1N(O)CCC[C@H]1NC(=O)[C@H](NC(=O)/C(/NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCCC/C=C\CCCCCC)[C@@H](O)C(=O)O)CO)CCC(=O)N)CO)CCCN(O)C(=O)C)=C/C)CO
Compound: Keratinicyclin B
SMILES: ClC1=C2OC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O[C@@H]5O[C@@H](O)[C@H](O)[C@H](C5)N)O)CO)C=6OC7=CC=C([C@@H](O)[C@@H](NC(=O)[C@H](N)C8=CC(Cl)=C(O)C=C8)C(N[C@H](C(N[C@H](C(=C3)C6)C(=O)N[C@H]9C(N[C@@H]([C@@H](C(=C1)C=C2)O[C@@H]%10O[C@H]([C@H](OC)[C@H](C%10)N)C)C(=O)N[C@@H](C%11=C(C(O)=CC(=C%11)O)C=%12C=C9C=CC%12O)C(=O)O)=O)=O)CC%13=CC=CC=C%13)=O)C=C7
Compound: L-2-aminohexanoate
SMILES: CCCC[C@H](N)C([O-])=O
Compound: Microsclerodermin L
SMILES: ClC1=CC=2NC=C(C2C=C1)C[C@H]3NC(=O)CN(C(=O)C[C@]4(O)NC(=O)C([C@H]4NC(=O)[C@@H](O)[C@H](NC(C[C@H](CNC(CNC3=O)=O)O)=O)[C@H](O)[C@@H](O)CC=CC5=CC=CC=C5)OC)C
Compound: 7-Hydroxylbenzastatin B
SMILES: O=C(O)C1=CC(=C(N)C=C1)C/C=C(/CCC(=C(C)C)C)\C
Compound: Pretrichodermamide F
SMILES: S1S[C@@H](C2=C(O)C(OC)=C(OC)C=C2)[C@@H]3C(N4[C@]1(C(=O)N3C)C[C@]5(O)[C@@H](O)C=C[C@H]([C@@H]5O4)O)=O
Compound: AH-758
SMILES: O=C1OC(C(OC)C=CC=C(CC(C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C2(OC(C(C)C(C2)OC(=O)/C=C/C(=O)OCC=3NC(=O)CC3)C(C)C)OC)C)C
Compound: Canucin A
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(=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)[C@H](O)C(=O)O)CC3=CC=CC=C3)CC=4N=CNC4)[C@H](CC)C)CC5=CC=CC=C5)CC6=CC=CC=C6)CC(NCC(N[C@H](C(NCC(N[C@H]1CC7=CC=CC=C7)=O)=O)C(C)C)=O)=O)C)CC(C)C)CCC2
Compound: Saquayamycin I
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H](C(=O)C=C6)C)CC5)C)(C)C4)O)[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@H](C(=O)C=C8N)C)[C@@H](C7)O)C
Compound: 5-chloroacremine A
SMILES: Cl[C@@H]1[C@@](O)(C(=O)C=C([C@H]1O)/C=C/C(O)(C)C)C
Compound: 7-Hydroxylbenzastatin J
SMILES: O=C(O)C1=CC(=C(N)C=C1)C/C=C(/CCC=C(C)C)\C
Compound: Austalide S
SMILES: O=C1OCC=2C1=C(O)C3=C(O[C@@]4(CC[C@@H]5[C@@]([C@H]4C3)(CC[C@H](C5(C)C)O)C)C)C2C
Compound: 15b-beta-hydroxy-5-N-acetylardeemin
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@]4(O)N([C@H]5N(C=6C=CC=CC6[C@]5(C4)C(C=C)(C)C)C(=O)C)C([C@@H]2C)=O
Compound: Tumonoic acid D
SMILES: O=C(O)[C@H]1N(C(=O)[C@H](CCCCCCCC)C)CCC1
Compound: Canucin B
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(=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)CC(=O)O)CC3=CC=CC=C3)CC=4N=CNC4)[C@H](CC)C)CC5=CC=CC=C5)CC6=CC=CC=C6)CC(NCC(N[C@H](C(NCC(N[C@H]1CC7=CC=CC=C7)=O)=O)C(C)C)=O)=O)C)CC(C)C)CCC2
Compound: Nitrosporeunol A
SMILES: O=C(O)/C=C/C=C/C1=C(C=CC=C1)CO
Compound: 7-Hydroxyl-O-demethylbenzastatin D
SMILES: O=C(O)C1=CC2=C(N[C@@](CO)(CCC(=C(C)C)C)[C@@H](C2)O)C=C1
Compound: Grenadamide B
SMILES: Cl/C=C(/CCCC(=O)NC(CC(C(=O)C(CCC=C)C)C)C)\CCC
Compound: Austalide T
SMILES: O=C1OCC=2C1=C(OC)C3=C(O[C@]4(C[C@@H](C(=O)OC)[C@@]56[C@@]([C@H]4C3)(CC[C@](O5)(O)OC6(C)C)C)C)C2C
Compound: Phomactin B1
SMILES: O=C1C2=C[C@@H](O)[C@@H](C)[C@@]([C@]2(O)C)(CCC(C)=CCC[C@@]3([C@@H]1O3)C)C
Compound: Octahydroheptaprenol
SMILES: OC/C=C(\CC/C=C(\CC/C=C(\CCCC(CCCC(CCCC(CCCC(C)C)C)C)C)/C)/C)/C
Compound: Keratinimicin B
SMILES: ClC1=C2OC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O[C@@H]5OC([C@H](O)[C@H](C5)N)C)O)CO)C=6OC7=CC=C([C@@H](O)[C@@H](NC(=O)[C@H](N)C8=CC(Cl)=C(O)C=C8)C(N[C@H](C(N[C@H](C(=C3)C6)C(=O)N[C@H]9C(N[C@@H]([C@@H](C(=C1)C=C2)O[C@@H]%10O[C@H]([C@H](OC)[C@H](C%10)N)C)C(=O)N[C@@H](C%11=C(C(O)=CC(=C%11)O)C=%12C=C9C=CC%12O)C(=O)O)=O)=O)CC%13=CC=CC=C%13)=O)C=C7
Compound: O-Demethylvirantmycin
SMILES: Cl[C@H]1[C@](NC=2C=CC(=CC2C1)C(=O)O)(CO)CCC(=C(C)C)C
Compound: 3,4,5-trihydroxypentan-2-yl 2,4-dihydroxy-6-methylbenzoate
SMILES: O=C(OC(C(O)C(O)CO)C)C1=C(O)C=C(O)C=C1C
Compound: Austalide U
SMILES: O=C1OC([C@]2(O)[C@H](O)C[C@]3([C@@H]([C@]2(CC1)C)CC=4C(OC)=C5C(=O)OCC5=C(C4O3)C)C)(C)C
Compound: Exserolide E
SMILES: O=C1O[C@H]2[C@H](O[C@H](C2)[C@@H](O)CC)C=3C1=C(O)C(OC)=C(OC)C3
Compound: Chrymutasin C
SMILES: O=C1OC2=C3C(=C(O)C=4C2=C(O[C@@H]5O[C@@H]([C@H](O)[C@@H]([C@H]5O[C@H]6O[C@@H]([C@H](O)[C@@H]([C@H]6O[C@H]7O[C@@H]([C@H](O)[C@@H]([C@H]7O)OC)C)O)C)O)C)C=CC4)C(=N)C(C=8C3=C1C(=CC8)C)=O
Compound: Agropyrenal
SMILES: O=CC=1C2=C(OC)C(O)=CC=C2C(C)=CC1
Compound: Phellibaumin C
SMILES: O=C1OC(/C(/C=2C(=O)OC(/C=C/C3=CC(O)=C(O)C=C3)=CC2O)=C\C4=CC(O)=C(O)C=C4)=CC5=C1C6=C(C=C(O)C(=C6)O)C(O5)=O
Compound: Benthocyanin B
SMILES: O=C1OC2=C(C3=NC=4C=CC=CC4N(C3=CC2=C1C5=CC=CC=C5)C/C=C(\CCC=C(C)C)/C)C(=O)O
Compound: Keratinimicin D
SMILES: ClC1=C2OC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O[C@@H]5OC([C@H](O)[C@H]([C@H]5O)O)C)O)CO)C=6OC7=CC=C([C@@H](O)[C@@H](NC(=O)C(=O)C8=CC(Cl)=C(O)C=C8)C(N[C@H](C(N[C@H](C(=C3)C6)C(=O)N[C@H]9C(N[C@@H]([C@@H](C(=C1)C=C2)O[C@@H]%10O[C@H]([C@H](OC)[C@H](C%10)N)C)C(=O)N[C@@H](C%11=C(C(O[C@H]%12O[C@@H]([C@@H](O)[C@@H]([C@@H]%12O)O)CO)=CC(=C%11)O)C=%13C=C9C=CC%13O)C(=O)O)=O)=O)CC%14=CC=CC=C%14)=O)C=C7
Compound: Merulinol A
SMILES: O=C1[C@]2(O[C@@]3(O)[C@H](O)C[C@@]2(C(C)(C)CC1)CC3)C
Compound: Roquefortine D
SMILES: O=C1N2C3NC=4C=CC=CC4C3(C(C=C)(C)C)CC2C(=O)NC1CC=5NC=NC5
Compound: Geralcin C
SMILES: O=C(N(NC(=O)C)/C=C\CCCC)[C@@H](/N=[N+](\[O-])/CCCCCC)CO
Compound: Benthocyanin C
SMILES: O=C(O)C1=C(O)/C(=C(\C#N)/C2=CC=CC=C2)/C=C3C1=NC4=C(C=CC=C4)N3C/C=C(/CCC=C(C)C)\C
Compound: Mutanobactin A
SMILES: S1C2C(C(=O)N[C@H](C(=O)N[C@@H](C(=O)N3[C@H](C(N[C@H](C(NC(C1)C(=O)NC2)=O)C(C)C)=O)CCC3)C)CC(C)C)C(=O)CCCCCCCCC
Compound: Thielavin A
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1C)C)C)C2=C(O)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C)C
Compound: Merulinol B
SMILES: O[C@]1([C@@]2(C(CC[C@H]1O)(C)C)CC=C(CO)CC2)C
Compound: Keratinicyclin C
SMILES: ClC1=C2OC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O[C@@H]5OC([C@H](O)[C@H](C5)N)C)O)CO)C=6OC7=CC=C([C@H]8OC(=O)N[C@H]8C(N[C@H](C(N[C@H](C(=C3)C6)C(=O)N[C@H]9C(N[C@@H]([C@@H](C(=C1)C=C2)O[C@@H]%10O[C@H]([C@H](OC)[C@H](C%10)N)C)C(=O)N[C@@H](C%11=C(C(O)=CC(=C%11)O)C=%12C=C9C=CC%12O)C(=O)O)=O)=O)CC%13=CC=CC=C%13)=O)C=C7
Compound: Antrodin B
SMILES: O[C@H]1[C@]2([C@@](C3=CC(C)(C)C[C@@H]3[C@@H]2O)(C)C[C@@H]1O)C
Compound: Geranylphenazinediol
SMILES: OC=1C2=NC=3C(=C(O)C=CC3)N=C2C(C/C=C(/CCC=C(C)C)\C)=CC1
Compound: Merulinol C
SMILES: O=C(O)C1=CC[C@@]2(C(CC[C@H]([C@@H]2C)O)(C)C)CC1
Compound: Tartrolon F
SMILES: O=C1O[C@H](CCC=CC=CCC[C@H](O)CC(O)C[C@H]2O[C@@](O)(C(O)C(=O)O[C@H](CCC=CC=CCC[C@@H](CC(C[C@H]3O[C@](C1O)(O)[C@@H](CC3)C)=O)O)C)[C@H](C)CC2)C
Compound: Mangromicin D
SMILES: O=C1[C@@H](C[C@@H](O)[C@@H]2O[C@](CCC=3C(O[C@H](C1)[C@H](C3O)CCC)=O)(C)C[C@@H]2C)CO
Compound: Erinarol F
SMILES: O=C(O[C@@H]1C[C@@]2(O)[C@]([C@]3(O)C([C@H]4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC4)(C)CC3)=C[C@@H]2O)(C)CC1)CCCCCCC/C=C\C/C=C\CCCCC
Compound: Shearinine K
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=C(CC=C(C)C)C(=CC6C5C[C@@H]4CC3)CC=C(C)C)C)(CC[C@@]27O[C@@H]1C(O7)(C)C)C
Compound: Furanonaphthoquinone I
SMILES: O=C1C(OC)=C(C(=O)C2=C1C=C3OC(C)C(C3=C2O)(CCC=C(C)C)C)C
Compound: Merulinol D
SMILES: O=C(O)C1=CC[C@@]2(C(CC[C@@H]([C@@H]2C)O)(C)C)CC1
Compound: Tartrolon G
SMILES: O=C1O[C@H](CCC=CC=CCC[C@H](O)CC(O)C[C@H]2O[C@@](O)(C(O)C(=O)O[C@H](CCC=CC=CCC[C@@H](CC(C[C@H]3O[C@](C1O)(O)[C@@H](CC3)C)O)O)C)[C@H](C)CC2)C
Compound: Vibralactone K
SMILES: O=C1OC[C@@H]2[C@@H]1[C@H](O)[C@@H](CC=C(C)C)C2
Compound: Similanamide
SMILES: O=C1N2[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@H](C(NC3=C1C=CC=C3)=O)C(C)C)=O)CC(C)C)C)CC(C)C)C)CCCC2
Compound: (4S,7R)-1(10)E,5E-Germacradien-11-OL
SMILES: OC([C@H]1C=C[C@H](CCC=C(CC1)C)C)(C)C
Compound: Phenalenone derivative
SMILES: O=C1C(N=C2C(=O)C=3C=4C(=C(C)C=C(C4C2=O)O)C=5O[C@@H](C(C5C3O)(C)C)C)=C(O)C=6C(O)=CC(=C7C6C1=C(O)C=8C([C@@H](C)OC78)(C)C)C
Compound: Merulinol E
SMILES: O=C1C(O)=C([C@]2(CC=C(C(=O)O)CC2)C(C1)(C)C)C
Compound: Arthropsadiol B
SMILES: O=C1C=C[C@H](/C=C/C)[C@@H]([C@H]1O)C(=O)C(O)C
Compound: Leptolyngbyalide A
SMILES: Br/C=C(/OC)\C(=C)CC(OC(=O)CCCCCCCCCCCCCCC)CC(O)C(C(O)CC(O)C(C(O)C/C(=C/C(O)C1(OC2CC(CC(O)CC(CC(=CC(OC1C2)=O)C)C)C)C)/C)(C)C)C
Compound: Platencin A9
SMILES: S(C(=O)C1=C(O)C(NC(=O)CCC2(C(=O)C=CC34C2CC(CC3O)C(C4)=C)C)=C(OC5OC(C(O)C(C5O)O)CO)C=C1)C
Compound: Cristatumin F
SMILES: O=C1N[C@H](C(=O)N[C@@H]1C(C)C)CC=2C3=C(C(=CC(=C3)CC=C(C)C)CC=C(C)C)NC2C(C=C)(C)C
Compound: Elijopyrone B
SMILES: O=C1OC(=C(C)C=C1CC(C)C)C(=O)C
Compound: Merulinol F
SMILES: O=C1C(O)(CC[C@]2(C1)C(O)(C(=O)CCC2(C)C)C)CO
Compound: TAN-1057B
SMILES: O=C1NC(=NC[C@H]1N(C(=O)C[C@@H](N)CCCN=C(N)N)C)NC(=O)N
Compound: Platencin A4 (duplicated name, different than NPA005919)
SMILES: O=C1C=CC23CC(=C)C(CC2C1(CCCC(C(=O)NC(C(=O)O)CCC(=O)N)C)C)CC3
Compound: Nodulisporiviridin G
SMILES: O=C1C2=C([C@]3(CCC(C=4C3=C1OC4)=O)C)[C@@H](O)C[C@]5([C@H]2CCC5=O)C
Compound: Leptolyngbyalide B
SMILES: O=C1OC2C(OC(C2)CC(CC(CC(CC(=C1)C)C)O)C)(C(O)/C=C(/CC(O)C(C(O)CC(O)C(C(O)CC(OC(=O)CCCCCCCCCCCCCCC)CC(C(OC)=C)=C)C)(C)C)\C)C
Compound: FR209603
SMILES: S(=O)(=O)(OC1=C(O)C=CC(=C1)CC(O)C2NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)CCCCCCCCCCCCCCC)CC(C(NC(C4N(C(C(NC2=O)C(O)CC(=O)N)=O)CCC4O)=O)O)O)CO)CC(C3)O)O
Compound: Sartoryglabramide A
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(NC3=C1C=CC=C3)=O)CC4=CC=CC=C4)CC5=CC=CC=C5)CCC2
Compound: Yanucamide A
SMILES: O=C1N[C@H](C(=O)O[C@H](C(=O)N([C@H](CC2=CC=CC=C2)C(NCCC(OC(C1(C)C)CCCC#C)=O)=O)C)C(C)C)C(C)C
Compound: 10beta-carbomethoxy-7,8,9,10-tetrahydro-4,6,7alpha,9alpha,11-pentahydroxy-9-propyltetracene-5,12-dione
SMILES: O=C1C2=C(O)C3=C([C@H](C(=O)OC)[C@](O)(CCC)C[C@H]3O)C(=C2C(=O)C=4C1=C(O)C=CC4)O
Compound: Platencin A5
SMILES: O=C1C=CC23C(O)CC(CC2C1(CCCC(C(=O)NC(C(=O)O)CCC(=O)N)C)C)C(C3)=C
Compound: Disorazole-C1
SMILES: O=C1O[C@H](C(C(O)/C=C/C)(C)C)CC=CC=CC=C[C@H](OC)CC=2OC=C(N2)C(=O)O[C@@H](CC=CC=CC=C[C@@H](CC3=NC1=CO3)OC)C(C(O)/C=C/C)(C)C
Compound: Leptolyngbyalide C
SMILES: O=C1OC2C(OC(C2)CC(CC(CC(CC(=C1)C)C)O)C)(C(O)/C=C(/CC(O)C(C(O)CC(O)C(C(O)CC(OC(=O)CCCCCCCCCCCCCCC)CC(C(=O)C)=C)C)(C)C)\C)C
Compound: Sartoryglabramide B
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(NC3=C1C=CC=C3)=O)CC=4C5=C(C=CC=C5)NC4)CC6=CC=CC=C6)CCC2
Compound: Talarotoxin
SMILES: O=C1N(C(=O)C2C1CCC2)C(=O)/C=C/C=C/[C@]3([C@H](C(=C[C@@H]4C3CCCC4)C)/C(=C/C)/C)C
Compound: Roselipin 1B
SMILES: O=C(OC[C@@H](O)[C@H](O)[C@H](O)CO)/C(=C/C(C(O)/C(=C/C(C(O)/C(=C/C(C(O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)CO)C(CC(CC(CC)C)C)C)C)/C)C)/C)C)/C
Compound: Cuniculene 6A
SMILES: O=C(O)CC(/C=C/CC(/C=C/C(C(O)CC(O)CC(=C)CC)C)=C)=C
Compound: Fomlactone C
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]5([C@@H]([C@H](C)C[C@]6(O[C@@H]5C3)OC(=O)[C@H]([C@@H]6C)C)CC4)C)C)CC2)(C)CC1)(C)C
Compound: Platencin A6
SMILES: O=C1C=CC23CC(=C)C(CC2C1(CCCC(C(=O)NC(C(=O)O)CCC(=O)N)C)C)C(C3)O
Compound: Fellutanine A epoxide
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2)C[C@@]45O[C@@H]4NC6=C5C=CC=C6
Compound: Xylapyrone C
SMILES: O=C1OC(=CC(=C1)OC)CCCCCO
Compound: Secomilbemycin D
SMILES: O=C1OC/C(=C/C=C/[C@@H](C/C(=C/C[C@H]2O[C@]3(O[C@@H]([C@@H](C)CC3)C)C[C@H](C2)O)/C)C)/C4=C1C=C(C)C(=C4)O
Compound: Trichoderiol C
SMILES: O1[C@@]2(C(C)[C@H]([C@]1(CC/C=C(\CO)/C)C)CC2)C
Compound: Cuniculene 6B
SMILES: S(C(=O)CC(/C=C/CC(/C=C/C(C(O)CC(O)CC(=C)CC)C)=C)=C)CCNC(=O)CCNC(=O)C(O)C(CO)(C)C
Compound: Platencin A7
SMILES: O=C1C=CC23C(O)CC(CC2C1(CCCC(C(=O)O)C)C)C(C3)(O)CO
Compound: Methyl isoverrucosidinol
SMILES: O=C1OC(=C(C)C(=C1C)OC)[C@@](O)([C@@H](OC)/C(=C/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)/C)C
Compound: 6(S*)-Bromo-1,4(R*)-oxido-2(Z)-ochtoden-8(S*)-ol
SMILES: Br[C@@H]1C([C@@H](O)C2=CCO[C@@H]2C1)(C)C
Compound: 1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one
SMILES: O=C1N(CCCC1)CC(=O)C=2OC=CC2
Compound: 8-hydroxy-3-methyl-9-oxo-9H-xanthene-1-carboxylic acid methyl ether
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC(=C3)C)C=CC=C2O
Compound: Chartrenoline
SMILES: O=C1O[C@@H]2[C@@H](O)C=3[C@@H](N(C4=CC=C(C(=O)O)C=C4)O[C@H]5C3[C@@H]2N1CC5)C
Compound: Platencin A8
SMILES: O=C(NC(C(=O)O)CCC(=O)N)/C=C(/CCC1C(=C)CCC2C1(CCCC2(C(=O)O)C)C)\C
Compound: Chondrosterin K
SMILES: O=C1C(=C2[C@H]3[C@H](CC(C3)(C)C)[C@@H]([C@]2(C1)C)O)CO
Compound: PAX7
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)CCCCCCCCCCCCC)CCCCN)=O)CCCCN)CCCCN)CCCCN)CCCCN
Compound: Palmarumycin CR1
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14C5C(O)C=CC(C5C(O)CC4)O
Compound: Dendroamide A
SMILES: S1C2=NC(=C1)C(=O)N[C@@H](C=3SC=C(N3)C(=O)N[C@@H](C4=NC(C(N[C@@H]2C(C)C)=O)=C(O4)C)C)C
Compound: Citridone E
SMILES: O=C1NC=C(C2=CC=CC=C2)C3=C1C(=O)[C@H](C)[C@H](O3)/C(=C/C)/C
Compound: JBIR-68
SMILES: O=C1N([C@@H]2O[C@H](COC/C=C(/CCC=C(C)C)\C)[C@H]([C@H]2O)O)CCC(N1)=O
Compound: Chondrosterin L
SMILES: O=C1C2=C([C@@]3(C(=C)[C@@H](O)C[C@@]3(C2)O)C)CC1(C)C
Compound: Tornabeatin B
SMILES: O=C/1O[C@](CO)(C)C\C1=C\CCCCCCC/C=C\CCCCCCCC
Compound: Altersolanol N
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1[C@H](O)[C@@H](OC(=O)C)[C@]([C@@H]3O)(O)C
Compound: Heronapyrrole A
SMILES: O=[N+]([O-])C=1NC=C(C1)C[C@H](O)C(O)(CC/C=C(/CC[C@@H](O)C(OC)(C)C)\C)C
Compound: Citridone F
SMILES: O=C1NC=C(C2=CC=CC=C2)C3=C1[C@@H](OC)[C@H](C)[C@@H](O3)/C(=C\C)/C
Compound: Phomochromone B
SMILES: O=C1C2=C(O[C@H]([C@H]1O)C)C(=C(O)C(=C2)C)C
Compound: Chondrosterin M
SMILES: O=C1C2=C([C@@]3([C@H]([C@H](O)C[C@@]3(C2)O)C)C)CC1(C)C
Compound: Cucumin H
SMILES: O=C1C2=C([C@@H](O)C(C2)(C)C)[C@]3([C@@]1(CCC3)C)C
Compound: Heronapyrrole B
SMILES: O=[N+]([O-])C=1NC=C(C1)C[C@H](O)C(O)(CC/C=C(/CC[C@@H](O)C(O)(C)C)\C)C
Compound: Bu-2841-10
SMILES: O=C1OC(C(NC(=O)C(NC(=O)CC(O)CCCCC(CC)C)CO)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(NCC(NC(C(NC(C(NC(C(NC1CC2=CC=CC=C2)=O)CCN)=O)C(CC)C)=O)CC=3C4=C(C=CC=C4)NC3)=O)=O)CC(=O)O)CC(=O)N)CC(=O)O)CCN)C
Compound: Bicycloalternarene 8
SMILES: O=C1C(=C(O)C(O)CC1)CC2C(O)(CCC2/C(=C\C/C=C(/CO)\C)/C)C
Compound: Citridone G
SMILES: O=C1NC=C(C2=CC=CC=C2)C3=C1[C@@]4(OC)C(=C(C)C[C@@]4(C)O3)C
Compound: Penochalasin I
SMILES: O=C1C=CC(=O)[C@H](O)C(=C[C@H](CC=C[C@@H]2[C@@]13C(=O)N[C@@H]4[C@@]3([C@](C=5NC=6C=CC=CC6C5C4)(CC2)C)C)C)C
Compound: 4'-Deoleandrosyl-6,8a-seco-6,8a-deoxy-5-
SMILES: O=C1OC2CC3(OC(C(C)C=C3)C(CC)C)OC(C2)CC=C(C(OC4OC(C(O)C(C4)OC)C)C(C=CC=C(C5(C1C=C(C(=O)C5)C)O)C)C)C
Compound: Penochalasin J
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=CC[C@H](C)C=C(CC(CC1)=O)C)C)CC=4C5=C(C=CC=C5)NC4
Compound: Lithocarpinol A
SMILES: O=CC1=C(O)C=CC2=C1[C@@](O)(C3=C4O[C@H](C(O)(C)C)COC4=CC(=C3)C)[C@H](C(=C)C)C2
Compound: Pyloricidin B
SMILES: O=C(N[C@@H](C1=CC=CC=C1)CC(=O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CO
Compound: Heronapyrrole C
SMILES: O=[N+]([O-])C=1NC=C(C1)C[C@H](O)C2(OC(C3(O[C@@H](C(O)(C)C)CC3)C)CC2)C
Compound: 4,8-dihydroxy-methoxy-3,4-dihydro-1(2H)-naphthalenone
SMILES: O=C1C2=C(O)C=CC=C2[C@@H](O)[C@H](C1)OC
Compound: Penicimarin G
SMILES: O=C1O[C@@H](CC=2C1=C(OC)C=CC2O)CCC[C@H](O)C
Compound: Chaetocochin I
SMILES: S1SS[C@@]2(N(C)C([C@](S1)(N(C)C2=O)CO)=O)CC=3C4=C(C=CC=C4)N(C3)C56C7=C(C=CC=C7)N[C@@H]5N8C(=O)[C@@]9(SSS[C@@]8(C6)C(=O)N9C)CO
Compound: Lithocarpinol B
SMILES: O=CC1=C(O)C=CC2=C1[C@](O)(C3=C4O[C@H](C(O)(C)C)COC4=CC(=C3)C)[C@@H](C(=C)C)C2
Compound: Acromelic acid C
SMILES: O=C1NC=C([C@@H]2[C@@H]([C@@H](C(=O)O)NC2)CC(=O)O)C=C1
Compound: Phomopsolide B
SMILES: O=C1O[C@@H](/C=C/[C@H](O)[C@@H](O)C)[C@@H](OC(=O)/C(=C/C)/C)C=C1
Compound: Erythrazole A
SMILES: S1C2=C(C(O)=C(OC)C=C2N=C1C(=O)NCC(=O)O)C/C=C(/CC/C=C(/CC/C=C(/CCC[C@@H](C(=O)O)C)\C)\C)\C