MonarchInit/C3PO huggingface dataset:
Compound: Chrondramide 13E
SMILES: BrC1=C(O)C=CC(=C1)C2NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](C)CC(=C[C@@H]([C@H](OC(C2)=O)CC)C)C)C)C)CC=3C4=C(C=CC=C4)NC3
Compound: Sclerotiotide G
SMILES: O=C1N([C@H](C(=O)NCCC[C@@H](C(N([C@H]1C(C)C)C)=O)NC(=O)/C=C/C=C/C(=O)C(O)C)C)C
Compound: Fomitopsin D
SMILES: O=C(O)[C@H]([C@@H](C(=O)C[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)CC(=O)O)CC4)(C)C)CC3)C)C[C@H]2O)(C)CC1)C)C)C)C
Compound: Colletofuran D
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: Pinicolic acid C
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@]([C@H](C(=C)C)CC3)(CCC(=O)O)C)CC2)(C)CC1)C)CCC=C(C)C
Compound: Cytochalasin X
SMILES: O=C1[C@@]23C(=O)NC([C@@H]2C(C)=C([C@H]([C@@H]3C=CC[C@@H](CC(CC1)=O)C)O)C)CC=4C5=C(C=CC=C5)NC4
Compound: Stereinone A
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CCC=C(C)C)C)CC4)(C)C(C3)=O)C)CC2)(C)CC1)(C)C
Compound: Fomitopsin E
SMILES: O=C1O[C@]2(O[C@H]3[C@]4([C@](C=5CC[C@@H]6[C@@](C5C3)(CC[C@H](C6(C)C)OC(=O)CC(=O)O)C)(CC[C@@H]4[C@@H](C2)C)C)C)[C@H]([C@@H]1C)C
Compound: Disorazole-B4
SMILES: O=C1OC(C(C(O)/C=C/C)(C)C)CC=CC(O)C(O)C=CC=CC=2OC=C(N2)C(=O)OC(CC=CC3C(C=CC=CC4=NC1=CO4)O3)C(C(O)/C=C/C)(C)C
Compound: Hydranthomycin
SMILES: O=C1C2=C3C(=CC=C2CC(C1)(O)C)C(O)C=4C(OC)=CC=CC4C3O
Compound: Fomitopsin F
SMILES: O=C1O[C@@]2(O[C@H]3[C@]4([C@](C=5CC[C@@H]6[C@@](C5C3)(CC[C@H](C6(C)C)OC(=O)CC(=O)O)C)(CC[C@@H]4[C@@H](C2)C)C)C)[C@H]([C@@H]1C)C
Compound: Monapinone D
SMILES: O=C1O[C@@H](CC=2C1=C(O)C3=C(O)C=C(OC)C=C3C2)CC(O)CC(O)CC(O)C
Compound: Xeromphalinone F
SMILES: O=C1C(=C)[C@@]2(C(=O)OCC3=C4[C@@](O)(C[C@@H]5[C@H]4CC(C)(C)C5)CC3=O)[C@H]6[C@H](CC(C6)(C)C)C[C@]72[C@@H]1O7
Compound: Colletofuran E
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: Stereinone B
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](C/C=C/C(OO)(C)C)C)CC4)(C)C(C3)=O)C)CC2)(C)CC1)(C)C
Compound: Chartarolide A
SMILES: ClC1=C2O[C@@H]3O[C@H](C2=C4OC=5C=C(O)C(=C(C5OC(C4=C1C)=O)C)CC=C(C)C)[C@@H](O)C6=C3C=7O[C@]8([C@@]9([C@H](C([C@H](O)CC9)(C)C)CC[C@H]8C)C)CC7C(=C6)O
Compound: Acremonisol A
SMILES: ClC1=C(OC)C=C(OC)C(=C1CCC)C(=O)O
Compound: Ganoderic acid E
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)C)C(CC(=O)CC(C(=O)O)C)C)C
Compound: Alternarin A
SMILES: S(CC=1C(=O)C[C@](C1)(O)C(=O)C[C@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)C[C@H](O)C(=O)OC
Compound: Arenicolide A
SMILES: O=C1O[C@@H](/C=C/C[C@H](O)C2(OC2[C@H](OC)[C@@H](O)CCC)C)[C@H](OC)[C@@H](O)[C@@H](C=C(C=C[C@@H](O)[C@H](OC)CCCC(C=C(C=C[C@H]([C@@H](C=CC=C1)OC)O)C)C)C)C
Compound: Stereinone C
SMILES: O=C1C2=C([C@@]3(CC[C@@H]([C@]3(C1=O)C)[C@@H](CCC=C(C)C)C)C)CC[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: Chartarolide B
SMILES: ClC1=C2O[C@H]3O[C@@H](C2=C4OC=5C=C(O)C(=C(C5OC(C4=C1C)=O)C)CC=C(C)C)[C@H](O)C6=C3C=7O[C@]8([C@@]9([C@H](C([C@H](O)CC9)(C)C)CC[C@H]8C)C)CC7C(=C6)O
Compound: BE-18591
SMILES: O(C1=C(NC(=C1)C=2NC=CC2)C=NCCCCCCCCCCCC)C
Compound: Pseurotin A1
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@@]13OC([C@@H](O)[C@@H](O)C=CCC)=C(C3=O)C)O
Compound: Spiroinonotsuoxotriol A
SMILES: O=C1[C@]2([C@@]3([C@H](C([C@@H](O)CC3)(C)C)C[C@@H]2O)C)CC[C@]4([C@]1(CC[C@@H]4[C@@H]5[C@@H](O)[C@H](C(OC)(C)C)CC5)C)C
Compound: Punctaporonin I
SMILES: O=C(O[C@@H]1[C@@]2(O)C(C[C@@H]2C(=C[C@@H](C=C(C1)C)O)CO)(C)C)C
Compound: Stereinone D
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4(CC[C@@H]([C@]4(C1=O)C)[C@@H](CCC=C(C)C)C)C
Compound: Phomaligadione A
SMILES: O=C1C=C(OC)C(C)C([C@@]1(OC(=O)C(CC)C)C)=O
Compound: Chartarolide C
SMILES: ClC1=C(O)C(=C2OC=3C=C(O)C(=C(C3OC(C2=C1C)=O)C)CC=C(C)C)CN4C(=O)C=5C=C(O)C6=C(C5C4)O[C@]7([C@@]8([C@H](C([C@H](O)CC8)(C)C)CC[C@H]7C)C)C6
Compound: Cephaibol B
SMILES: O=C(N1C(C(=O)NC(C(=O)N2C(C(=O)NC(CO)CC3=CC=CC=C3)CCC2)(C)C)CC(C1)O)C(NC(=O)C(NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC5=CC=CC=C5)(C)C)(C)C)(C)C)(CC)C)CC(C)C)(CC)C)(C)C)CC(C4)O)CCC(=O)N)(CC)C
Compound: Spiroinonotsuoxotriol B
SMILES: O=C1[C@]2([C@@]3([C@H](C([C@@H](O)CC3)(C)C)C[C@@H]2O)C)CC[C@]4([C@]1(CC[C@@H]4[C@@H]5[C@@H](O)[C@H](C(O)(C)C)CC5)C)C
Compound: 10,23-dihydro-24,25-dehydroaflavinine
SMILES: O[C@@H]1[C@]23[C@]([C@H](C)CC1)(CC[C@H]([C@H]2[C@@H](C=4C5=C(C=CC=C5)NC4)[C@H](C(=C)C)CC3)C)C
Compound: Stereinone E
SMILES: O=C1C=C2[C@@](O)(CC[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@]4([C@]1([C@@H]([C@@H](CCC=C(C)C)C)CC4)C)C
Compound: Tubakialactone A
SMILES: O=C1OC(=C(C)C=2C1=C(O)C=C(OC)C2)CO
Compound: Penicimutanolone isomer
SMILES: O=C(N[C@@H]1C(OC2(C1)[C@H]3O[C@H]3C(O)(CC(=O)C)[C@@H]4[C@H]2O4)O)/C=C/C(CC(CCCCCC)C)C
Compound: Isochaetominine B
SMILES: O=C1N(C=NC2=C1C=CC=C2)[C@H]3C(=O)N4[C@@H]5N(C([C@@H]4CC)=O)C6=C([C@@]5(C3)O)C=CC=C6
Compound: Glucolipsin A
SMILES: O=C1OCC2OC(OC(C(C(=O)OCC3OC(OC(C1C)CCCCCCCCCCCCC(C)C)C(O)C(O)C3O)C)CCCCCCCCCCCCC(C)C)C(O)C(C2O)O
Compound: (3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(1R,2R,3R)-2-hydroxy-3-(2-methoxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
SMILES: O=C1C2=C([C@]3(CC[C@@H](C([C@@H]3C1)(C)C)O)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H]5[C@@H](O)[C@H](C(OC)(C)C)CC5)C)C
Compound: Stereinone F
SMILES: O=C1[C@]2([C@](C=3CC[C@@H]4[C@@](C3C1)(CCC(C4(C)C)O)C)(CC[C@@H]2[C@@H](CCC=C(C)C)C)C)C
Compound: Tubakialactone B
SMILES: O=C1OC(=C(CO)C=2C1=C(O)C=C(OC)C2)CO
Compound: Waikikiamide A
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=3C(=CC(OC)=C4C3O[C@@]56C7=C(C8=C(OC(C)(C)C=C8)C=C7)[N+](=C5C(C)(C)[C@H]9[C@]%10([C@@H]46)NC(=O)[C@]%11(CCCN%11C%10=O)C9)[O-])C2)C
Compound: Fumigatonin
SMILES: O=C1OC([C@@H]2[C@@H](OC(=O)C)C[C@@H]([C@@]34[C@]2(C=C1)COC5(O3)O[C@@]6(OC([C@H]([C@@H]([C@]5(C4)C)C)[C@@H]6OC(=O)C)=O)C)C)(C)C
Compound: Rhytidenone F
SMILES: O=C1C2=CCCC3([C@@H]2[C@H](O)C=C1)OC=4C=5C(C=CC4)=CC=CC5O3
Compound: Hectochlorin
SMILES: ClC(Cl)(CCC[C@@H]1OC(=O)C=2N=C([C@@H](OC(=O)C)C(OC(C=3N=C([C@@H](OC([C@H]1C)=O)C(O)(C)C)SC3)=O)(C)C)SC2)C
Compound: Stereinone G
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CCC(O)C(=C)C)C)CC4)(C)C(C3)=O)C)CC2)(C)CC1)(C)C
Compound: Tubakialactone C
SMILES: O=C1OC(=C)[C@](O)(C)C=2C1=C(O)C=C(OC)C2
Compound: Waikikiamide B
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=3C(=CC(OC)=C4C3O[C@@]56C7=C(C8=C(OC(C)(C)C=C8)C=C7)N=C5C(C)(C)[C@H]9[C@]%10([C@@H]46)NC(=O)[C@]%11(CCCN%11C%10=O)C9)C2)C
Compound: N-demethylophiosetin
SMILES: O=C1N[C@@H](CO)C(C1=C(O)[C@@]2([C@@H](C=C[C@H]3[C@H]2CC[C@H](C3)CO)C=CC)C)=O
Compound: Serinocyclin A
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCC(N[C@@H](C(N[C@H](C(NC13CC3)=O)CO)=O)CO)=O)C[C@@H](O)CCN)CO)C[C@H](C2)O
Compound: Periconiasin G
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C[C@H](CC1)C)C)CC(C)C
Compound: Stereinone H
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](COC(=O)C)CCC=C(C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Tubakialactone D
SMILES: O=C1O[C@@](O)(C)C=2C1=C(OC)C=C(OC)C2
Compound: N(2)-methyl-L-lysine
SMILES: CN[C@@H](CCCCN)C(O)=O
Compound: Waikikiamide C
SMILES: O=C1N2[C@@]3(C(=O)N[C@]14[C@@H](OC)C=5C6=C(C7=C(OC(C)(C)[C@H]([C@@H]7OC)ON8C9=C%10C(OC(C)(C)C=C%10)=CC=C9[C@]%11(C8=O)C([C@@H]%12C[C@@]%13%14CCCN%14C([C@@]%12(C%11)NC%13=O)=O)(C)C)C=C6)N(C5C([C@@H]4C3)(C)C)O)CCC2
Compound: Stictamide B
SMILES: O=C(O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@H](NC(=O)CCCC1=CC=C(O)C=C1)CCCN=C(N)N)CC2=CC=CC=C2)CC3=CC=C(O)C=C3
Compound: Mycemycin B
SMILES: ClC1=CC=2C(=O)NC=3C(C(=O)OC)=CC=CC3OC2C=C1
Compound: Neolymphostin A
SMILES: O=C(C=1NC=2C(NC(=O)C(C)C)=CC(=N)C=3C2C(C1)=CN3)C=COC
Compound: Stereinone I
SMILES: O=C(O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC[C@H](O)C(O)(C)C)C)CC4)(C)[C@@H](C3)O)C)CC2)(C)CC1)(C)C)C
Compound: Tubakialactone E
SMILES: O=C1OC(C(O)C)(C)C=2C1=C(OC)C=C(OC)C2
Compound: Engyodontiumone F
SMILES: O=C1C2=C(OC3=C1[C@H](C(=O)OC)[C@H](O)[C@@H](C3)O)C=C(CO)C=C2O
Compound: Loonamycin A
SMILES: ClC1=C(O)C(O[C@H]2OC[C@H](N(C)C)[C@@H](C2)O)=CC3=C1NC=4C=5N(C=6C(Cl)=CC=CC6C5C7=C(C34)C(=O)N(C)C7=O)[C@@H]8O[C@@H]([C@H](OC)[C@@H]([C@H]8O)O)CO
Compound: Vanitaracin A
SMILES: O=C1C2=C(C=C(O)C3=C2C[C@@H](O)C[C@H]3C)C(O)(C)C(C1(OC(=O)C(CC(CC)C)C)C)=O
Compound: Stereinone J
SMILES: O=C1C2=C([C@]3(CCC(C([C@@H]3C1)(C)C)=O)C)CC[C@]4([C@]2(CC[C@@H]4[C@H](C(=O)O)CCC(=C)C(C)C)C)C
Compound: Isokotanin A
SMILES: O=C1OC2=C(C(=C(C3=C(OC)C=C4OC(=O)C=C(C4=C3C)OC)C(=C2)OC)C)C(=C1)OC
Compound: Verbenanone
SMILES: O=C1[C@H]2[C@@H](O)[C@H](O)[C@@H](CCC)O[C@H]2CC[C@H]1O
Compound: Pamamycin-621C
SMILES: O=C1O[C@H]([C@@H]([C@H]2O[C@@H]([C@H](C(=O)O[C@H](C[C@H]3O[C@@H]([C@@H]1C)CC3)CCC)C)CC2)C)[C@@H]([C@@H]4O[C@H](C[C@H](N(C)C)CCC)CC4)CC
Compound: Loonamycin B
SMILES: ClC1=C(O)C(O[C@H]2OC[C@H](N(C)C)[C@@H](C2)O)=CC3=C1NC=4C=5N(C=6C(Cl)=CC=CC6C5C7=C(C34)C(=O)NC7=O)[C@@H]8O[C@@H]([C@H](OC)[C@@H]([C@H]8O)O)CO
Compound: Xentrivalpeptide Q
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CC2=CC=CC=C2)C(C)C)C(=O)N[C@@H](C(=O)N3CCC[C@H]3C(N[C@H](C(N[C@H]1C(C)C)=O)C(C)C)=O)CC4=CC=CC=C4)C
Compound: Irlactin F
SMILES: O=C1C(=C2[C@@H](CC(C2)(C)C)[C@H](CC1)C)CO
Compound: (4Z)-12-deoxydihydrokromycin
SMILES: O=C1O[C@@H]([C@@H](CCC(=O)[C@H](C)C[C@@H](C=C(C([C@H]1C)=O)C)C)C)CC
Compound: Penipaline A
SMILES: O=C(O)[C@H]1NCC=2NC3=C(C2C1)C=CC=C3CC=C(C)C
Compound: Cochlioquinone E
SMILES: O=C1C=2O[C@]3([C@@H]([C@@]4([C@H](O[C@@H](C(O)(C)C)C[C@@H]4O)CC3)C)CC2C(=O)C=C1[C@@H](C(=O)[C@H](CC)C)C)C
Compound: Loonamycin C
SMILES: BrC1=C(O)C(O[C@H]2OC[C@H](N(C)C)[C@@H](C2)O)=CC3=C1NC=4C=5N(C=6C(Br)=CC=CC6C5C7=C(C34)C(=O)N(C)C7=O)[C@@H]8O[C@@H]([C@H](OC)[C@@H]([C@H]8O)O)CO
Compound: Benzomalvin B
SMILES: O=C1N(/C(/C2=NC=3C=CC=CC3C(N2C4=C1C=CC=C4)=O)=C/C5=CC=CC=C5)C
Compound: Irlactin G
SMILES: O=CC1=C2[C@H]([C@@H](C)[C@@H]3C[C@H]1[C@@H](O3)OC)CC(C2)(C)C
Compound: Lucensimycin A
SMILES: O=C1[C@]2([C@@H](C=C[C@@H]3[C@@H]2C[C@@H](OC(=O)C)[C@@H]([C@H]3O)C)C[C@H]([C@@]14C(=O)OC(C4=O)=C)C=CC=CC=CC(=O)O)C
Compound: Phthiocol
SMILES: O=C1C(O)=C(C(=O)C2=C1C=CC=C2)C
Compound: Pulvomycin B
SMILES: O=C1C(=CC=CC(=CC=C([C@@H](O)CC(=O)O[C@@H](CC=CC=CC=C[C@@H]1O)[C@H]([C@H](O)[C@@H](C(=O)/C=C/C=C/C=C/[C@H](O)[C@@H](O[C@@H]2O[C@@H]([C@H](OC)[C@@H]([C@H]2OC)O)C)C)C)C)C)C)C
Compound: (+)-(17R)-apralactone A
SMILES: O=C1O[C@@H](CCCC=CC2(OC=3C(=C(C1)C=C(O)C3)C(=O)C2)O)C
Compound: Irlactin H
SMILES: O=C([C@@H]1O[C@@H]2[C@@H]([C@@H]3CC(CC3=C([C@H]1C2)C=O)(C)C)C)C
Compound: Hyapyrone B
SMILES: O=C1OC(=C(C)C(=C1C)O)C=CCCCC/C=C/C(=C/C=C/C(C(O)C(CCC2=CC=CC=C2)C)C)/C
Compound: Aspochalazine A
SMILES: O=C1N[C@@H](CC(C)C)[C@H]2[C@@]13[C@@]4(O)N[C@]5([C@H](O)CC[C@]([C@@H]5[C@H]3C=C(C)[C@H]2C)(O)C)C(C4)=O
Compound: N-methyl-N'-nitro-N-nitrosoguanidine
SMILES: CN(N=O)C(=N)N[N+]([O-])=O
Compound: Penicitrinol M
SMILES: O=C(O)C1=C2O[C@]3(O)[C@H](CCCC3)[C@@H]4C2=C([C@@H]([C@@H](C)O4)C)C(=C1O)C
Compound: 5alpha,12-dihydroxy-1-tremulen-11-yl 2(S)-pyroglutamate
SMILES: O=C1N[C@@H](C(=O)OCC2=C3[C@@H]([C@H](C)[C@@H](C[C@H]2CO)O)CC(C3)(C)C)CC1
Compound: Irlactin I
SMILES: O=C1OCC2=C1[C@H](O)C[C@H](C)[C@H]3[C@H]2CC(C)(C)C3
Compound: Roquefortine E
SMILES: O=C/1N2[C@@H]3NC=4C=CC=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)N\C1=C\C=5N=CNC5C(C=C)(C)C
Compound: (-)-notoamide R
SMILES: O=C1N2[C@]3(C(=O)N[C@@]14[C@H](O)C=5C6=C(C7=C(OC(C)(C)C=C7)C=C6)NC5C([C@H]4C3)(C)C)CCC2
Compound: Pulvomycin D
SMILES: O=C1C(=O)C=CC=CC=CC[C@H](OC(=O)CC=C([C@@H](C=C(C=CC=C1C)C)O)C)[C@H]([C@H](O)[C@@H](C(=O)/C=C/C=C/C=C/[C@H](O)[C@@H](O[C@@H]2O[C@@H]([C@H](OC)[C@@H]([C@H]2OC)O)C)C)C)C
Compound: 18-Desmethyl-vicenistatin
SMILES: O=C1NCCCCC=CC=C(CC(=CC[C@@H]([C@H](C=CC=C1)C)OC2OC(C(NC)C(C2)O)C)C)C
Compound: Scoparasin A
SMILES: O=C1OC=C[C@](O)(C(=O)[C@H](C)CC=C[C@H]2[C@@]3(O1)C(=O)N[C@@H]([C@H]3C(C)=C([C@@H]2O)C)CC4=CC=C(OC)C=C4)C
Compound: (-)-notoamide U
SMILES: O=C1N2[C@]3(C(=O)N[C@]14[C@@H](C(C5=[N+]([O-])C6=C([C@]5(C4)O)C=CC7=C6C=CC(O7)(C)C)(C)C)C3)CCC2
Compound: Irlactin J
SMILES: O=C1O[C@H](O)C2=C1CC[C@H](C)[C@H]3[C@H]2CC(C)(C)C3
Compound: Ganefromycin alpha
SMILES: O=C(O)/C=C/C=C/C=C/C1OC(C(C(OC)/C(=C/C=C/CNC(=O)[C@H]([C@]2(O[C@@H](/C=C/C=C\C)C(C)(C)[C@H]([C@H]2OC(=O)CC3=CC=CC=C3)O)O)CO[C@@H]4O[C@H]([C@@H](O[C@H]5O[C@H]([C@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](C6)OC)C)[C@@H](C5)OC)C)[C@H](C4)OC)C)/C)C)CC1O
Compound: Formicin A
SMILES: S(C(=O)[C@H]1[C@@H](C=CC=2[C@H]1CC(=O)C2)/C=C(/CCCC)\C)CCNC(=O)C
Compound: Pseudohalonectrin B
SMILES: O=C1C=C2C(=COC(=C2C)/C=C/C)[C@@H]([C@@]1(CC)C)O
Compound: Penicilleremophilane A
SMILES: ClC1=C(O)C=CC(=C1)CC(=O)O[C@H]2[C@@H]([C@@]3(C(=CC(=O)[C@]4([C@@H]3O4)C(=C)C)CC2)C)C
Compound: Cyclo-[L-Tyr-L-Leu-D-Pro]
SMILES: O=C1N2[C@@H](C(=O)N[C@H](C(N[C@H]1CC(C)C)=O)CC3=CC=C(O)C=C3)CCC2
Compound: (+)-notoamide L
SMILES: O=C1N2[C@]3(C(=O)N[C@@]1([C@@H](C(=C)C)C3)CC(=O)C4=C(N)C5=C(OC(C)(C)C=C5)C=C4)CCC2
Compound: Cepacidine A2
SMILES: O=C1NC(C(=O)NC(C(=O)NCC(=O)NCCC(N)C(NC(C(NC(CC(NC(C(NC1C(O)C2=CC=C(O)C=C2)=O)CO)=O)CC(OC3OC[C@@H](O)[C@@H]([C@H]3O)O)CC(O)CC(N)CCCCCCCCC)=O)CC(=O)N)=O)CO)CC(=O)O
Compound: Oblongolide N
SMILES: O=C1OC[C@@]2([C@]1([C@@H]3[C@H](C[C@@H](C)[C@@H](C3)O)C=C2)C)O
Compound: Formicin B
SMILES: S(C(=O)[C@@H]1[C@@H](C=CC=2[C@H]1CC(=O)C2)/C=C(/CCCC)\C)CCNC(=O)C
Compound: Celastramycin A
SMILES: ClC1=C(O)C(=C(O)C(=C1)CCCCCC)C(=O)C=2C(Cl)=C(Cl)NC2
Compound: (2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
SMILES: O=C(O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCC(=O)N)CC(C)C)CCC1
Compound: Spirangien K
SMILES: O=C(O)C[C@H](OC)/C=C/C=C/C=C/C=C/C=C\[C@@H]([C@H](O)[C@@H]([C@H]1O[C@]2(O[C@@H]([C@H](C)[C@@H](C2)OC)[C@@H]([C@@H](O)[C@H](C/C(=C/C)/C)C)C)[C@@H](O)C[C@@H]1C)C)C
Compound: (-)-6-epi-notoamide I
SMILES: O=C1N2[C@]3(C(=O)N[C@@]14C(=O)C=5C6=C(C7=C(OC(C)(C)C=C7)C=C6)NC5C([C@@H]4C3)(C)C)CCC2
Compound: Formicin C
SMILES: O=C1C=C2C=C[C@H]([C@H]([C@@H]2C1)C(=O)O)/C=C(/CCCC)\C
Compound: Colletomellein A
SMILES: O=C1O[C@H](CC=2C1=C(O)C(=C(O)C2C)C)CCC(O)CC
Compound: Monascusazaphilone B
SMILES: O=C1C=C2C(=COC(=C2)/C=C/C)[C@@H]([C@@]1(O)C)CC(=O)CCCCCCC
Compound: Amoenamide A
SMILES: O=C1N2[C@H](C(=O)N[C@H]1CC(=O)C3=C(NC(=O)C(C=C)(C)C)C4=C(OC(C)(C)C=C4)C=C3)CCC2
Compound: (2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
SMILES: O=C(O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)CCC(=O)N)C(C)C)CCC1
Compound: TP-1161
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N/C(/C=3OC(C)=C(N3)C(=O)NCC=4SC=C(N4)C(N[C@H](C5=NC(C(NC(C(NC(C6=NC(C7=C2C=CC(=N7)C(=O)NC(C(=O)NC(C(=O)NCC(=O)C)=C)=C)=CO6)=C)=O)=C)=O)=CS5)C)=O)=C/C)[C@H](O)C
Compound: 15-chlorotajixanthone hydrate
SMILES: Cl[C@H](C(O)(C)C)CC1=C2OC3=C(C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(C2=C(O)C=C1)=O
Compound: (R)-4-ethoxy-2-hydroxy-4-oxobutanoic acid
SMILES: O=C(O)[C@H](O)CC(=O)OCC
Compound: Chaetoindicin B
SMILES: O=C1C2=C(C=C(C)N=C2)[C@]3(O)C[C@H](OC3=C1C)C(O)(C)C
Compound: 7-trans-Laetiporic acid
SMILES: O=C(O)C[C@@H](O)C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C\C=C\C=C(\C(=O)C)/C
Compound: [(5aS,5bS,7S,7aS,11aS,11bS,13aS)-7-hydroxy-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1H-phenanthro[2,1-e][2]benzouran-11a-yl]methyl acetate
SMILES: O=C1OCC2=C1CC[C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@H](O)[C@@H]5[C@@]4(CCCC5(C)C)COC(=O)C)C)C
Compound: (-)-notoamide F
SMILES: O=C1N2[C@]3(C(=O)N[C@@]14[C@H](OC)C=5C6=C(C7=C(OC(C)(C)C=C7)C=C6)NC5C([C@H]4C3)(C)C)CCC2
Compound: MBJ-0030
SMILES: S(=O)(=O)(O)CCN1C(=O)C=2C=C(O)C3=C(C2C1)O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)C3
Compound: Wailupemycin B
SMILES: O=C1OC(=CC(=C1)OC)C[C@]23O[C@@]4(O[C@H](C2)CC([C@@]3(O)C4)=O)C5=CC=CC=C5
Compound: Difficidin
SMILES: P(=O)(OC1C(=CC=CCC(OC(=O)CC(=C)C(C)CC=CC=CC=CCCC1)CCC(=CC=C)C)C)(O)O
Compound: 2-[[(5aS,5bS,7S,7aS,11aS,11bS,13aS)-11a-(acetyloxymethyl)-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1H-phenanthro[2,1-e][2]benzouran-7-yl]oxymethoxy]acetic acid
SMILES: O=C1OCC2=C1CC[C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@H](OCOCC(=O)O)[C@@H]5[C@@]4(CCCC5(C)C)COC(=O)C)C)C
Compound: Thaxtomin C
SMILES: O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@H](CC4=CC=CC=C4)NC3=O)C)=CC=C1
Compound: (-)-notoamide I
SMILES: O=C1N2[C@]3(C(=O)N[C@@]14C(=O)C=5C6=C(C7=C(OC(C)(C)C=C7)C=C6)NC5C([C@H]4C3)(C)C)CCC2
Compound: MBJ-0031
SMILES: S(=O)(=O)(O)CCN1C(=O)C=2C=C(O)C3=C(C2C1)O[C@]4([C@@]5([C@H](C([C@H](O)[C@@H](C5)O)(C)C)CC[C@H]4C)C)C3
Compound: [(9R,13R,14R,16R,17R)-16-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-14-yl] acetate
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@]([C@@H]([C@@H]([C@H]5OC(=O)C(C)=C[C@@H]5O)C)C[C@H]4OC(=O)C)(C)CCC3C=C2C=C1)C)(C)C
Compound: Dichomitol
SMILES: O[C@H]1C2=C(CC[C@@]2(C)[C@H]3[C@@H]1C[C@](CO)(C)C3)CO
Compound: Liposidomycin-C-(I)
SMILES: S(=O)(=O)(OC1C(OC(C1O)CN)OC(C2N(CC(OC(=O)CC(OC(=O)CC(CC(=O)O)C)CCCCCCCCCCC)C(N(C2=O)C)C(=O)O)C)C3OC(N4C(=O)NC(=O)C=C4)C(C3O)O)O
Compound: MBJ-0032
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)CCC(=O)N[C@H](C(=O)O)CC=6N(C=NC6)C
Compound: 3-O-Acetyldehydroeburicoic acid
SMILES: O=C(O)C([C@@H]1[C@@]2([C@@](C=3C([C@](C(C(=C)C)CC3)(CCC(=O)OC)C)=CC2)(C)C[C@H]1O)C)CC/C=C(\CO)/C
Compound: Alternaphenol A
SMILES: O=C1C(C2=C(C(O)=CC=C2)C(=O)C3=C(O)C=C(C(=O)OC)C=C3O)=C(C4=C(O)C=C(C(=O)OC)C=C4O)C5=C1C=CC=C5O
Compound: (E,5R,6S)-6-[(5R,10R,13R,14R,17R)-10-(acetyloxymethyl)-3-hydroxy-4,4,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-acetylperoxy-2-methylhept-2-enoic acid
SMILES: O=C(O)/C(=C/C[C@@H](OOC(=O)C)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C(C(O)CC4)(C)C)CC3)COC(=O)C)CC2)(C)CC1)C)C)/C
Compound: Cryptophycin-28
SMILES: ClC1=C(OC)C=CC(=C1)C[C@H]2NC(=O)C=CC[C@H](OC(=O)[C@@H](OC([C@@H](CNC2=O)C)=O)CC(C)C)C/C=C/C3=CC=CC=C3
Compound: Psoralenone
SMILES: O=C1C(C2=CC3=C(OC(C)(C)[C@H](C3)O)C=C2)=COC4=C1C=C(OC)C(=C4)OC
Compound: Microginin 91-E
SMILES: ClC(Cl)CCCCCC[C@@H](N)[C@@H](O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC1)CC(C)C)C)[C@H](CC)C
Compound: 14-acetyl-mutilin
SMILES: O=C1C2C3(C(OC(=O)C)CC(C=C)(C)C(C(C2(CCC3C)CC1)C)O)C
Compound: Alternaphenol B
SMILES: O=C1OC2=C(C(O)=CC(=C2)C)C(C3=C1C=CC=C3O)=O
Compound: (-)-trichodermadione A
SMILES: O=C1C=C(C)O[C@]1(NC(=O)/C=C(/CCO)\C)CC
Compound: 12-alpha-hydroxy-epi-cochlioquinone D
SMILES: O=C1C=2O[C@@]3([C@@H]([C@@]4([C@H](O[C@@H](C(O)(C)C)CC4)CC3)C)[C@@H](C2C(=O)C=C1[C@@H](C(=O)/C(=C/C)/C)C)O)C
Compound: Photeroid A
SMILES: O1C2=C(C(=CC(=C2)O)C)C[C@H]3[C@@]1(C[C@@H]4[C@@H](C(O)(C)C)CC=C([C@H]4C3)C)C
Compound: Pteratide IV
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)C2=CC=CC=C2)C)C(C)C)C)[C@H](CC)C)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]1C(C)C)=O)C)C)=O)C)C)=O)CC3=CC=CC=C3)C)C
Compound: Cladospolide D
SMILES: O=C1OC(CCCCCC(C(C=C1)=O)O)C
Compound: Alternaphenol C
SMILES: O=C1NC(=C(C2=C(O)C=C(C(=O)OC)C=C2O)C3=C1C=CC=C3O)C(=O)C
Compound: Cytosporin G
SMILES: O=C(OCC1=C(C=CCCC[C@@H](O)C)[C@@H](O)[C@H]2[C@@]3([C@H]1OC([C@@H](O)C3)(C)C)O2)C
Compound: (+)-trichodermadione A
SMILES: O=C1C=C(C)O[C@@]1(NC(=O)/C=C(/CCO)\C)CC
Compound: Photeroid B
SMILES: O1C2=C(C(=CC(=C2)O)C)C[C@H]3[C@@]1(C[C@@H]4[C@@H](C(=C)C)CC=C([C@H]4C3)C)C
Compound: Decarboxynorstenosporic acid
SMILES: O=C(OC1=CC(O)=CC(=C1)CCCCC)C2=C(O)C=C(O)C=C2CCC
Compound: Penitropone
SMILES: O=C1C(=C2[C@](O)(CO[C@H](C2)C)C(=C1)OC)C
Compound: Alternaphenol D
SMILES: O=C1OC=2C(O)=CC(=CC2[C@@H]1C3=C(O)C=C(C)C=C3O)O
Compound: Trichodermadione B
SMILES: O=C1C(=C(C[C@H]([C@@]1(O)C)O)CC(=O)CC/C=C/C)C
Compound: DeltaPLH
SMILES: O=C/1N/C(/C(=O)N\C1=C\C2=CC=CC=C2)=C\C=3N=CNC3C(C=C)(C)C
Compound: Xylarilongipin B
SMILES: O=C1O[C@@H]2C=C3CC4(C)CCC3([C@@]5([C@@H]2[C@@]1(C[C@H](O)C5)C)C)CC4
Compound: 8-demethyl epothilone A 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)CCCC[C@@H]4[C@H](C2)O4)C)(C)C)\C)C
Compound: Chromoazepinone A
SMILES: O=C1C=2NC=3C=CC=CC3C2C=C(N[C@H]1C=4C5=C(C=CC=C5)NC4)C(=O)O
Compound: Nectriapyrone A
SMILES: O=C1OC(=C(C)C=2C1=C(O)C(=C(O)C2)C)C
Compound: Alternaphenol E
SMILES: O=C(OC)C1=CC(O)=C(C(=O)C2=C(O)C=CC=C2C=O)C(=C1)O
Compound: Ustusorane F
SMILES: O1C2=C(C(=CC=C2C[C@H]1C(O)(C)C)/C=C\CO)CO
Compound: Hymatoxin L
SMILES: O=C1O[C@@H]2C=C3C[C@](CCO)(C)CC[C@@H]3[C@@]4([C@@H]2[C@@]1(CCC4)C)C
Compound: N-mercapto-4-formylcarbostyril
SMILES: SN1C(=O)C=C(C=O)C2=C1C=CC=C2
Compound: Erinacerin H
SMILES: O=C1NCC2=C1C=C(O)C(=C2O)CC/C(=C/CC(=O)OC)/C
Compound: Nectriaquinone B
SMILES: O=C1C2=C(C(=O)C(=C1C[C@@H](O)C)C)C(OC)=CC(=C2)OC
Compound: Micropeptin SF909
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](O)CC2=CC=C(O)C=C2)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=C(O)C=C4)C)=O)CC(C)C)C3=O)O)CCC(=O)N)C
Compound: Tetra(indol-3-yl)ethanone
SMILES: O=C(C=1C2=C(C=CC=C2)NC1)C(C=3C4=C(C=CC=C4)NC3)(C=5C6=C(C=CC=C6)NC5)C=7C8=C(C=CC=C8)NC7
Compound: Xylarilongipin A
SMILES: O1[C@@H]2C=C3C4(CCC(C3)(C)CC4)[C@@]5([C@@H]2[C@](C1)(O)CCC5)C
Compound: (2S,3R,4E,8E)-1-(beta-D-glucopyranosyl)-3-hydroxy-2-[(R)-2′-hydroxyheptadecanoyl]amino-9-methyl-4,8-octadecadiene
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCC)\C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)CCCCCCCCCCCCCCC
Compound: Isoaflaquinolone E
SMILES: O=C1NC2=C(C=C(O)C=C2)[C@@]([C@@H]1OC)(O)C3=CC=CC=C3
Compound: Zythiostromic acid C
SMILES: O=C(O)[C@@]1([C@@]2(O)[C@@]([C@@H]3[C@](O)([C@H](C(=C)CC3)C=C)[C@H](C2)O)(CC[C@H]1O)C)C
Compound: Actinomadurone
SMILES: O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C5=C(O[C@H]6[C@@H](OC(=O)/C=C/C=C/CCC)C=CC[C@@H]6C5=O)C7=C4[C@H](OCO7)CC3C2O)C
Compound: Phaseolide A
SMILES: O=C1O[C@@H](CC=C[C@H](O)CCCCC1)C
Compound: Fluostatin D
SMILES: O=C1C2=C(C=3C(=O)C=4C=CC=C(C4C3C(=C2)O)O)[C@@H](OC(=O)C(C)C)[C@H]5[C@@]1(O5)C
Compound: Alterporriol F
SMILES: O=C1C2=C(C3=C4C(=O)C5=C(C[C@H](O)[C@@]([C@H]5O)(O)C)C(C4=C(O)C=C3OC)=O)C(OC)=CC(=C2C(=O)C6=C1C=C(C)C(=C6)O)O
Compound: Aphanorphine
SMILES: OC1=CC2=C(C[C@H]3C[C@@]2(CN3C)C)C=C1
Compound: Nectriapyrone B
SMILES: O=C1OC(=C(C)C=2C1=C(O)C(=C(OC)C2)C)C
Compound: Subterisin
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)NCC(=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)N2[C@H](C(=O)NCC(=O)O)CCC2)CC(C)C)CCC(=O)N)C)CC(C)C)C(C)C)CC3=CC=CC=C3)CCC(=O)NCC(=O)N4[C@H](C(=O)N5[C@@H](CCC5)C(NCC(N[C@H](C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)CCCNC(=N)N)=O)CC(=O)O)=O)=O)CCC4
Compound: Bungoene
SMILES: C1(=CC[C@]2(C(C)C)CC[C@H]([C@@]32[C@H]1C3)C)C
Compound: JBIR-24
SMILES: O=C1C=C2[C@@H]3[C@](O)(CCC[C@H]3/C=C(/C=C(\OC)/C=C/C(=O)O)\C)O[C@H]2[C@@H]4[C@H]1O4
Compound: Nodulisporiviridin A
SMILES: O=C1C2=C(C=CC3=C2CCC3=O)[C@@](O)(C)C4=C1OC=C4[C@@H](O)CCO
Compound: 31-epiLolitrem F
SMILES: O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H]9O[C@H](C=C(C)C)OC([C@H]9O7)(C)C)C)O)C=C2)C[C@H]%10[C@H]1C(OC%10(C)C)(C)C
Compound: Inonotolide B
SMILES: O=C1O[C@@H]2C=C3[C@H]4OC[C@H]([C@@]4(C)CC[C@@H]3[C@@]5([C@@H]2[C@@]1(CCC5)C)C)OC(=O)C
Compound: Eutypellazine N
SMILES: S1[C@]2(NC(=O)[C@](SC)(CC3=CC=CC=C3)NC2=O)CC=4[C@H]1[C@@H](O)C=CC4
Compound: Citreoviral
SMILES: O=C/C(=C/[C@@]1(O[C@H](C)[C@@]([C@H]1O)(O)C)C)/C
Compound: Tricinoloniol acid A
SMILES: O=C(O)CCC(/C=C/[C@H](C(C)C)CC[C@H](O)C)=C
Compound: 1-hydroxy-8-(hydroxymethyl)-6-methoxy-3-methyl-9H-xanthen-9-one
SMILES: O=C1C2=C(OC3=C1C(=CC(=C3)OC)CO)C=C(C)C=C2O
Compound: Inonotolide C
SMILES: O=C1O[C@@H]2C=C3[C@H]4OCC[C@@]4(C)CC[C@@]3([C@@]5([C@@H]2[C@@]1(CCC5)C)C)O
Compound: Oblongolide L
SMILES: O=C(OC[C@@H]1C[C@@H]2C=C[C@@H]3CO[C@@]([C@@]3([C@H]2CC1)C)(OCCCC)C(=O)C)C
Compound: Eutypellazine O
SMILES: S1[C@]2(NC(=O)[C@](SC)(CC3=C(O)C=CC=C3)NC2=O)CC=4[C@H]1[C@@H](O)C=CC4
Compound: Mathemycin A
SMILES: O=C1OC(C(C(OC2OC(C(O)C(C2O)N)C)CC(O)CC(O)C(C(O)CC(O)CC(O)C(C(O)CC(O)CC(O)C(C(C(C=C(C(C(C=C(C(C(C=CCCC(C(CC1)C)O)C)O)C)C)O)C)OC3OC(C(O)C(C3O)O)CO)O)C)C)C)C)C(CC(CCCCCCN)C)C
Compound: Tricinoloniol acid B
SMILES: O=C(O)CCC(/C=C/[C@H](C(C)C)CC[C@@H](O)C)=C
Compound: Xylaromanone A
SMILES: O=C1C2=C(O)C(C3=C4O[C@@](C(=O)OC)([C@H]5OC(=O)C[C@@H]5C)CC(C4=C(O)C=C3)=O)=C(C)C=C2O[C@@](C1)(C(=O)OC)[C@H]6OC(=O)CC6
Compound: Brocaeloid B
SMILES: O=C(NC1=C(C(=O)CCNC(=O)C)C=CC=C1)C(C=C)(C)C
Compound: Prenxanthone
SMILES: O=C1C2=C(O)C(=CC=C2OC3=C1C(=CC(=C3)C)CO)C/C=C(\CO)/C
Compound: 5-hydroxy-7-methoxy-4,6-dimethyl-2-phenylisoindoline-1,3-dione
SMILES: O=C1N(C2=CC=CC=C2)C(=O)C=3C1=C(OC)C(=C(O)C3C)C
Compound: 6-Chlorobenzene-1,2,4-triol
SMILES: Oc1cc(O)c(O)c(Cl)c1
Compound: Eutypellazine P
SMILES: S([C@@]12N(C(=O)[C@@]3(OC=4C=CC=CC4C3)NC1=O)[C@@H]5[C@@H](O)C=CC=C5C2)C
Compound: Tricinoloniol acid C
SMILES: O=C(O)C/C=C(/C=C/[C@H](C(C)C)CC[C@H](O)C)\C
Compound: (5R,6R)-6-ethyl-5-hydroxy-3-(methoxymethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one
SMILES: O=C1C2=C(OC=C1COC)CC[C@H]([C@H]2O)CC
Compound: (4R,8S)-14,16-dihydroxy-8-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,10-dione
SMILES: O=C1O[C@@H](CCC[C@H](OC)CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: Arborcandin A
SMILES: O=C1NC(C(=O)NC(C(=O)NCC(=O)NCCC(=O)NC(CCCCCCCC(O)CCCC)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: Acetoxydothiorelone B
SMILES: O=C(OCC)CC1=C(C(O)=CC(=C1)O)C(=O)CCCC[C@@H](OC(=O)C)CC
Compound: Eutypellazine Q
SMILES: S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@H]6C(=CC=C[C@@H]6O)C[C@]5(C4=O)SC)C[C@H]3C(C2)=O
Compound: Lithocaldehyde A
SMILES: O=CC1=C(O)C=CC2=C1[C@@H]3C4=C5O[C@H](C(O)(C)C)COC5=CC(=C4C([C@@H]3C2)(C)C)C
Compound: Turgichelin
SMILES: O=C1N(O)CCC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC)CCCN(O)C(=O)[C@@H](NC(=O)[C@@H](NC)CCCN(O)C=O)CO)CO
Compound: Ammocidin B
SMILES: O=C1OC(C(C2(OC(C(OC3OC(C(OC4OC(C(O)C(C4)(O)C)C)C(C3)(O)C)C)(C)C(C2OC)O)CCCOC)O)C)CC(C(O)C=C(C=C(C=C(C(C(C=C(C=C(C=C1C)OC)C)C)OC5OC(C(O)C(C5O)O)C)C)C)C)C
Compound: UCT1072M2
SMILES: O=C1C2=C(O)C3=C(O[C@H]4[C@@H]3CC[C@H](C4)O)C=C2C(=O)C=5C1=C(O)C=C(O)C5
Compound: Eutypellazine R
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=CC4)C=5C=CC=CC5C2)C
Compound: (15S)-acetoxydothiorelone A
SMILES: O=C(OCC)CC1=C(C(O)=CC(=C1)O)C(=O)CCCCC[C@@H](OC(=O)C)C
Compound: Lithocaldehyde B
SMILES: O=CC1=C(O)C=CC2=C1[C@H]3C4=C5O[C@H](C(O)(C)C)COC5=CC(=C4C([C@H]3C2)(C)C)C
Compound: Reveromycin G
SMILES: O=C(O)/C=C(/C=C/[C@H](OC(=O)CCC(=O)O)[C@@]1(O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/[C@H](O)[C@H](/C=C/C(=O)O)C)\C)CC1)CCCCCC)\C
Compound: Alkyldihydropyrone C
SMILES: O=C1O[C@@H](CC(=C1C)O)CCC(CC)C
Compound: Amauromine
SMILES: O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)N5[C@H]1C[C@]6(C=7C=CC=CC7N[C@@H]56)C(C=C)(C)C
Compound: Eutypellazine S
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=CC4)C=5C(O)=CC=CC5C2)C
Compound: Dothiorelone K
SMILES: O=C(OCC)CC1=C(C(O)=CC(=C1)O)C(=O)CCCCCCC(=O)OC
Compound: (2S,2′R,3R,4E,8E)-N-2′-hydroxyhexadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCC)\C)CO)[C@H](O)CCCCCCCCCCCCCC
Compound: Gardenomycin A
SMILES: O=C1C2=C(C(O)=CC=C2)[C@@H]3O[C@@H]4C5=C([C@H]1[C@@]3(O)[C@@H]4O)C(=O)C[C@H]([C@@H]5O)C
Compound: Beauvericin F
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)CC(C)C)CC4=CC=CC=C4)C)C(C)C
Compound: Citreaglycon A
SMILES: O=C1O[C@](OC)(CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(O)C(C(=O)O)=CC=C6OC5C(=C4CCC3C2)O)C
Compound: Dothiorelone L
SMILES: O=C(OCC)CC1=C(C(O)=CC(=C1)O)C(=O)CCCCC(=O)CC
Compound: Mucorinic acid A
SMILES: O=C(O)/C=C(/CC/C=C(/C/C=C/[C@]1(O[C@@H](C(O)(C)C)CC1)C)\C)\C
Compound: Spiroleptosphol C
SMILES: O=C1OC(=C)[C@@H]([C@]12[C@@H](C=C[C@H]([C@@H]2O)O)/C=C/[C@@H](C[C@@H]([C@H](O)C)C)C)O
Compound: Anhydroflavomannin-9,10-quinone 6,6',8'-tri-O-methyl ether
SMILES: O=C1C2=C(O)C(C3=C(OC)C4=C(O)C=5C(=O)C[C@](O)(C)CC5C=C4C=C3OC)=C(OC)C=C2C(=O)C=6C1=C(O)C=C(C)C6
Compound: Gardenomycin B
SMILES: O=C1C2=C(C(O)=CC=C2)[C@@H]3O[C@@H]4C5=C([C@H]1[C@@]3(O)[C@@H]4O)C(=O)C[C@@H](C)C5
Compound: Bisacremine C
SMILES: O1[C@@](C=CC2=CC=C(C)C=C2)(CC[C@]1(C=CC3=C[C@H](O)[C@@](O)(C)C[C@@H]3O)C)C
Compound: Dothiorelone M
SMILES: O=C(OCCC1=CC=C(O)C=C1)CC2=C(C(O)=CC(=C2)O)C(=O)CCCCCCC
Compound: Mucorinic acid B
SMILES: O=C(O)/C=C(/CC/C=C(/C/C=C/[C@@]1(O[C@@H](C(O)(C)C)CC1)C)\C)\C
Compound: Deoliosyl-3C-alpha-L-digitoxosyl-mithramycin
SMILES: O=C1C2=C(O)C3=C(O)C(=C(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)C=C3C=C2C[C@H]([C@@H]1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@H]([C@H](O)[C@@H](C7)O[C@@H]8O[C@@H]([C@@H](O)[C@](C8)(O)C)C)C)C)[C@H](OC)C(=O)[C@@H](O)[C@H](O)C)C
Compound: Effphenol A
SMILES: O1C(C2=CC=C(O)C=C2)=C(C3=C(O)C(=C(O)C=C3OC)CC)C=4C1=C(C(O)=CC4OC)CC
Compound: Tan-1030a
SMILES: O=C1NCC=2C1=C3C=4N([C@@H]5O[C@](N6C4C2C7=C6C=CC=C7)([C@H](OC)\C(\C5)=N\O)C)C8=C3C=CC=C8
Compound: Phenopyrrozin
SMILES: O=C1N2[C@@H](CCC2)C(=C1O)C3=CC=CC=C3
Compound: Gephyromycin B
SMILES: O=C1C2=C(O)C=CC=C2[C@@H](O)[C@@]34[C@H]1C[C@H](O)[C@]5([C@]3(O)C(=O)C[C@@](O4)(C5)C)O
Compound: Dothiorelone N
SMILES: O=C(OCCC1=CC=C(O)C=C1)CC2=C(C(O)=CC(=C2)O)C(=O)CCCCCCCOC(=O)C
Compound: Forazoline B
SMILES: Br[C@@]1([C@@H]2OC(=O)[C@H]3N=C([C@@]4(NC(=CC([C@@]([C@@H](CCC(=C[C@H]([C@H]1C)[C@@H](C2)O[C@@H]5O[C@@H]([C@@H](N(C)C)CC5)C)C)O)(O[C@@H]6O[C@@H]([C@@H](N(C)C)CC6)C)C)=O)S([C@@H]4OC)=O)C)SC3)C
Compound: Sclerotionigrin A
SMILES: O=C1O[C@]23C(=O)N[C@@H]([C@@H]2[C@@H](C)C(=C[C@H]3C=CC[C@@H](C)CCCCC=C1)C)CC4=CC=CC=C4
Compound: AS-183
SMILES: O=C1C(=C(C(CC(CC(CC(CC)C)C)C)C)OC1(O)C)C
Compound: 10-formamido-kalihinol F
SMILES: O=CN[C@@]1([C@@H]2[C@H]([C@@H](N=C)[C@@](O)(C)CC2)[C@@H]([C@@]3(O[C@H](C(N=C)(C)C)CC3)C)CC1)C
Compound: Gephyromycin C
SMILES: O=C1C2=C(O)C=CC=C2[C@@H](O)[C@@]34[C@H]1CC[C@]5([C@]3(O)C(=O)C[C@@](O4)(C5)C)O
Compound: (13R)-diaporphthalide A
SMILES: O=C1OCC=2C1=C(OC)C(=CC2C(=O)OC[C@H](O)CO)C
Compound: Isocryptoporic acid H
SMILES: O=C(O)[C@H](OC[C@H]1C(=CC[C@@H]2[C@@]1(CCCC2(C)C)C)C)[C@@H](C(=O)O)CC(=O)O
Compound: 7-(2-methylpropyl)hexathiepane
SMILES: S1SSSC(SS1)CC(C)C
Compound: Tenellic acid A methyl ester
SMILES: O=C(OC)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C=O)[C@@H](OC)CC(C)C
Compound: Itralamide A
SMILES: ClC(Cl)C(CC(=O)N([C@@H]1C(=O)N([C@H](C(=O)N[C@@H](C(=O)N([C@@H](C)C(N([C@@H](C(N[C@H](C(O[C@@H]1C)=O)C)=O)CC2=CC=CC=C2)C)=O)C)C)C(C)C)C)C)C
Compound: Trichothiazole A
SMILES: Cl/C=C(/C/C=C/Cl)\CCC=1N=C(CCCCCC#C)SC1
Compound: (9S,17R,19S,6Z,10E,4E)-diaporlactone A
SMILES: O=C1O[C@H](/C=C/CC/C=C/C[C@@H](O)C[C@@H](O)C)CC=CCCCC1
Compound: Streptophenazine L
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)[C@@H](O)[C@H](C(=O)OC)CCCCCCCC)N=C2C=CC1
Compound: Bispolide B1
SMILES: O=C1OC(C(C=CC=C(C=CC(=O)OC(C(C=CC=C(C=C1)CC)CC)C(C(O)CC2(OC(C(CC)C(C2)OC3OC(C(O)C(C3)O)C)C)O)C)CC)CC)C(C(O)CC4(OC(C(CC)C(C4)OC5OC(C(O)C(C5O)O)C)C)O)C
Compound: 2-O-methylbutyrolactone I
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)CC=C(C)C)C(=C1OC)C3=CC=C(O)C=C3
Compound: Annulostygilactone
SMILES: O=C1O[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCC)CC1
Compound: Nectrianolin A
SMILES: O=C1C=C([C@@H](O)[C@H]2[C@@]1(O2)[C@@H](O)/C=C(/CC[C@@]3(C(=CCC[C@H]3C)C)C)\C)CO
Compound: Lyophyllin
SMILES: O=C(N=[N+]([O-])C)N(C)C
Compound: (7R,10S)-7,10-epoxysydonic acid
SMILES: O=C(O)C1=CC(O)=C([C@@]2(O[C@H](C(C)C)CC2)C)C=C1
Compound: Seco-4,23-hydroxyoleane-12-en-22-one-3-carboxylic acid
SMILES: O=C1[C@]2([C@H](C3=CCC4[C@](C(C(O)(CO)C)CC[C@]4([C@]3(C)CC2)C)(CCC(=O)O)C)CC(C1)(C)C)C
Compound: 2-O-methylbutyrolactone II
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC=C(O)C=C2)C(=C1OC)C3=CC=C(O)C=C3
Compound: Erinacine K
SMILES: O=C(OCC1=C[C@H](O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)[C@@]3(CC[C@@]4(C([C@H]3CC1O)=C(C(C)C)CC4)C)C)C
Compound: Glabramycin A
SMILES: O=C/1O[C@H](CCCCC2=C(\C1=C(/O)\C=C\C=C\C=C\C(=O)O)C=CC=C2O)C
Compound: Nectrianolin B
SMILES: O=C1C=C([C@@H](O)[C@H]2[C@@]1(O2)[C@@H](O)/C=C(/CC[C@@]3(C(=CCC[C@H]3C)C)C)\C)COC(=O)C[C@H](O)C
Compound: Neomastoidin A
SMILES: O=C(O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CO)[C@@H](N)COC
Compound: (7S,10S)-7,10-epoxysydonic acid
SMILES: O=C(O)C1=CC(O)=C([C@]2(O[C@H](C(C)C)CC2)C)C=C1
Compound: Penicillixanthone A
SMILES: O=C1C2=C(O)C(C3=C4O[C@]5(C(=C(O)C[C@H]([C@@H]5O)C)C(C4=C(O)C=C3)=O)C(=O)OC)=CC=C2O[C@]6(C1=C(O)C[C@@H](C)[C@@H]6O)C(=O)OC
Compound: Erythro-23-O-methylneocyclocitrinol
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CCC3/C(=C/[C@H](OC)[C@H](O)C)/C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: Nectrianolin C
SMILES: OC/C=C(/CC[C@@]1(C(=CCC[C@H]1C)C)C)\C
Compound: (7R,11S)-7,12-epoxysydonic acid
SMILES: O=C(O)C1=CC(O)=C([C@@]2(OC[C@@H](C)CCC2)C)C=C1
Compound: Communesin G
SMILES: O=C(N1[C@H]2N3[C@H](C=4C=CC=C5C4[C@]6([C@@]2(C7=C(N[C@H]6N5C)C=CC=C7)CC1)CC3)[C@@H]8OC8(C)C)CC
Compound: Eupeniacetal A
SMILES: O=C1[C@](O[C@H]2OC([C@@H]3[C@H]2[C@]1(C[C@H]4C(=C5C(C(OC(C5)=O)(C)C)=CC[C@]34C)C)C)=O)(C(=O)OC)C
Compound: JBIR-91
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC4(C3(O)C(=O)CC(C)C4)O[C@H]5O[C@@H]([C@H](O[C@H]6O[C@@H]([C@H](O)[C@@H](C6)O)C)[C@@H](C5)N(C)C)C)[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O)C
Compound: Eujavanicol A
SMILES: O=C([C@@]1([C@@H]2[C@@H](C=C[C@@H]1[C@@H](CC)C)[C@H](O)[C@H](O)C[C@H]2C)C)CCO
Compound: Delta-8'-Merulinic acid A
SMILES: O=C(O)C1=C(O)C=C(O)C=C1CCCCCCC/C=C\CCCCCCCC
Compound: (7S,11S)-7,12-epoxysydonic acid
SMILES: O=C(O)C1=CC(O)=C([C@]2(OC[C@@H](C)CCC2)C)C=C1
Compound: Hainanmycin A
SMILES: O=C1C2=C(O)C(C)=C[C@H]2CCC=3C(=O)O[C@H](C(=CCC=C1)C)[C@H](C3O)C
Compound: Eupeniacetal B
SMILES: O=C1[C@](O[C@H]2OC([C@@H]3[C@H]2[C@]1(C[C@H]4[C@@](C(C(=C)C)=CC[C@]34C)(CCC(=O)O)C)C)=O)(C(=O)OC)C
Compound: Aquachelin J
SMILES: O=C(O)C(O)C(NC(=O)CCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CCC(=O)N)CO)CO
Compound: 5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol
SMILES: O(C1C(O)(C(O)C(C1N)O)CO)CC(O)C(O)C(O)C(CC([C@@H]2C3[C@](C4C=CC5[C@@]6(C(C([C@@H](C)CC6)(C)C)CC[C@]5([C@]4(C)CC3)C)C)(C)CC2)C)C
Compound: Pestalotiotone A
SMILES: O=C1OC(=CC(=C1C)O)[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)[C@H](C[C@H](CC)C)C)C)/C)C
Compound: Sch 58775
SMILES: ClC1=C(OC)C(=C(C)C(=C1O)Cl)C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H]([C@H](OC)[C@](C3)([N+](=O)[O-])C)C)C[C@H](O[C@H]4[C@H](O)C[C@@]5(O[C@@]6([C@H](O)[C@H](O[C@H]7[C@@H](OC)[C@H](O[C@H]([C@@H]7O)O[C@H]8[C@H](O)[C@H](OC)[C@H](O[C@@H]9OC[C@@H]%10O[C@]%11(O[C@H]%10[C@H]9O)OC[C@@H](OC(=O)C%12=C(O)C=C(O)C=C%12C)[C@@H]([C@H]%11O)OC=O)O[C@@H]8COC)C)O[C@@H]([C@H]6O5)C)C)O[C@@H]4C)O[C@@H]2C
Compound: 7-deoxy-7,14-didehydro-12-hydroxysydonic acid
SMILES: O=C(O)C1=CC(O)=C(C(=C)CCC[C@@H](CO)C)C=C1
Compound: Trienediol
SMILES: OC(/C=C/C=C/C=C)C(O)C
Compound: (-)-3-butyl-7-hydroxyphthalide
SMILES: O=C1O[C@@H](CCCC)C=2C1=C(O)C=CC2
Compound: 3beta,4alpha-dihydroxy-26-methoxyergosta-7,24(28)-dien-6-one
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3[C@@H](CCC(=C)C(COC)C)C)C)[C@@]4([C@@H]1[C@H](O)[C@@H](O)CC4)C
Compound: (Z)-7-deoxy-7,8-didehydro-12-hydroxysydonic acid
SMILES: O=C(O)C1=CC(O)=C(/C(=C\CC[C@@H](CO)C)/C)C=C1
Compound: 2,5-bis(hydroxymethyl)furan diacetate
SMILES: O=C(OCC=1OC(COC(=O)C)=CC1)C
Compound: FR252921
SMILES: O=C1OC(/C(=C/C=C/CCCCCCC)/C)CC(=O)NC[C@H](O)[C@@H](C(=O)NCCC=CC=CC=C1)C
Compound: Pestalotiotone B
SMILES: O=C(/C(=C/[C@@H]([C@H](O)[C@H](C[C@H](CC)C)C)C)/C)CC
Compound: Formosusin A
SMILES: O=C1N(C(=O)\C=C/C=C/C(=C/[C@@H](O)CCCC)/C)CCC1
Compound: 2,3,6-Trihydroxycaryol-5-en-7-one
SMILES: O=C1C(O)=C[C@@]2([C@H](O)[C@@H]([C@@H]3C(C1C2)CC3(C)C)O)C
Compound: Pubescenone
SMILES: O=C1[C@@H]2[C@]3([C@@](C)([C@@H]4[C@H]1CC(C)(C)C4)C3)[C@@H](OC)OC2
Compound: (E)-7-deoxy-7,8-didehydro-12-hydroxysydonic acid
SMILES: O=C(O)C1=CC(O)=C(/C(=C/CC[C@@H](CO)C)/C)C=C1
Compound: Conidiogenone J
SMILES: O=C1C=C[C@@H](C)[C@@]23[C@@]1(CC[C@@H]2[C@H]4[C@@](CC[C@]4(C3)CO)(CO)C)C
Compound: Spirohexenolide A
SMILES: O=C1O[C@@]23[C@@](C=C(C=CC[C@H](C=C4COC(=C1C2=O)C=C4)O)C)(C=C(C)[C@H](C3)C)C
Compound: 2-methyl-8-hydroxybenzeneheptanoic acid
SMILES: O=C(O)CCCCC[C@H](O)C1=C(C=CC=C1)CO
Compound: Chojalactone C
SMILES: O=C1OCC([C@@]1(O)C(=O)C=CC=CC=CC)=C
Compound: Trichalasin F
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC[C@H]([C@@H](C1)O)O)C)C)CC(C)C
Compound: Conidiogenone K
SMILES: O=C1[C@]2([C@@]3([C@@H](C)[C@H]4[C@@H]1O4)[C@H]([C@@H]5[C@](CC[C@@]5(C3)C)(CO)C)CC2)C
Compound: (+/-)-cochlearin A
SMILES: O=CC1=C[C@@H](C2=C(O)C=CC(=C2)O)[C@H](C(=C)CCC=C(C)C)CC1
Compound: Hebelophyllene G
SMILES: O=C(OC)C(=C)[C@@H]1[C@@H](C(C)(C)C1)C[C@H](O)C(=C)[C@H](O)CO
Compound: Marinoquinoline H
SMILES: OC1=CC=C(C2=NC=3C(=CC=CC3)C4=C2NC=C4)C=C1
Compound: N-palmitoyl-L-cysteine
SMILES: OC([C@@H](NC(=O)CCCCCCCCCCCCCCC)CS)=O
Compound: Ganolucidic acid gamma a
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)[C@@H](CC(O)C=C(C(=O)O)C)C)C)[C@@H](O)CC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: TMC-49A
SMILES: O=C(OCCCC)NCCC1=CC=CC=C1
Compound: Conidiogenol B
SMILES: O[C@H]1[C@]2([C@@]3([C@@H](C)[C@@H](C1)O)[C@H]([C@@H]4[C@](CC[C@@]4(C3)C)(CO)C)CC2)C
Compound: (+/-)-cochlearin B
SMILES: O1[C@@]([C@H]2O[C@](C1)(/C=C/C3=C(O)C=CC(=C3)O)CC2)(CCC=C(C)C)C
Compound: 3-demethyl-3-(2-hydroxypropyl)-skyrin
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=C(CC(O)C)C3)C(C4=C5C(=O)C6=C(C(O)=CC(=C6)C)C(C5=C(O)C=C4O)=O)=C(O)C=C2O
Compound: Marinoquinoline I
SMILES: O=C(NCCCCC1=NC=2C(=CC=CC2)C3=C1NC=C3)C
Compound: Cepaciamide A
SMILES: O=C1NCCC[C@H]1NC(=O)C[C@H](OC(=O)[C@H](O)CC[C@@H]2[C@H](CCCCCCCCCCCC)C2)CCCCCCCCCCCCC
Compound: 5-hexyl-2-hydroxy-2-pentyluran-3-one
SMILES: O=C1C=C(CCCCCC)O[C@@]1(O)CCCCC
Compound: Globimycin
SMILES: S1C2=NC(=C1)C3=NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)=C)=C)=C)=CC=C3C=4OC(C)=C(N4)C(=O)N[C@H](C(=O)NC(C=5OC(C)=C(N5)C(=O)NC(C6=NC(C(NC(C7=NC(C(NC(C(NC2=C)=O)=C)=O)=C(O7)C)=CC)=O)=CS6)OC)=CC(O)C)[C@H](O)C
Compound: (+/-)-cochlearin C
SMILES: O=C1OCC2=C1CCC=C(CCCC(OC3=C(C2)C=C(O)C=C3)(C)C)C
Compound: Malevamide D
SMILES: O=C(O[C@H](CO)CC1=CC=CC=C1)[C@@H]([C@@H](OC)[C@H]2N(C(=O)C[C@@H](OC)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C)C)[C@H](CC)C)C(C)C)C)C(C)C)CCC2)C
Compound: Rubrumline B
SMILES: O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@H](O)C(OC)(C)C)NC2C(C=C)(C)C)C
Compound: Trichokindin-IIa
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)CO)CCC(=O)N)(C)C)(C)C)CC(C)C)CCC1)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(NC(=O)C(NC(=O)C)(C)C)CO)C)(C)C)(C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)C)(CC)C)(C)C
Compound: Macbecin
SMILES: O=C1NC=2C(=O)C(=CC(C2)=O)[C@H](OC)[C@H](C[C@H](OC)[C@H](OC)[C@H](C=C([C@@H]([C@@H](C=CC=C1C)C)OC(=O)N)C)C)C
Compound: Micropeptin 996
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCC)CCC(=O)N)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCC5=CC=C(O)C=C5)C
Compound: (+/-)-cochlearin D
SMILES: O1[C@H](C2=C(O)C=CC(=C2)O)C\C(\C1)=C\C/C=C(/CCC=C(C)C)\C
Compound: Wentiquinone A
SMILES: O=C1OC2=C(C(O)=CC(=C2)C)C(C3=C1C=C(OC)C=C3O)=O
Compound: Rubrumline C
SMILES: O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@H](OC(=O)C)C(O)(C)C)NC2C(C=C)(C)C)C
Compound: Chloropestolide D
SMILES: Cl[C@@]12C(OC)=C[C@@](C(=O)OC)([C@@]3(C1=O)OC(=O)C=4C(O)=CC(=CC4O3)C)C[C@]2(C=C=C5[C@@H](O)[C@]6(O[C@H]6[C@H](C5)O)CC=C(C)C)C
Compound: Arylomycin A1
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)CCCCCCCC(C)C)C)CO)C)C)C=CC3O)C2)O)C
Compound: Betaestacin II
SMILES: O=C(O)C(C(=O)O)[C@H]1[C@@H]2[C@@](CC=C(CC=C3[C@H](C(=CC2)C)CC[C@@H]3C)C)(C)CC1
Compound: (+/-)-cochlearin E
SMILES: O1C2=C(C=C(O)C=C2)C=C[C@@]1(CO)CC/C=C(/CCC=C(C)C)\C
Compound: Gifhornenolone B
SMILES: O=C1[C@H](O)[C@]([C@@H]2CCC=3C(C2(C1)C)CC[C@@](C3)(C=C)C)(CO)C
Compound: Pestaloficiol A
SMILES: O=C1C2=C(OC(C1)(C)C)[C@]34[C@@H](OC([C@H]3C4)(C)C)[C@H](C2)O
Compound: Rubrumline D
SMILES: O=C/1NC(C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@H](O)C(O)(C)C)NC2C(C=C)(C)C)=C
Compound: Pyoverdin Pf 3/4/3
SMILES: O=C1NC(C(=O)NC(C(=O)NCCCCC1NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C2[N+]3=C(NCC2)C(N4C(=O)CCC4=O)=CC=5C3=CC(O)=C(C5)O)CO)CCCCN)CCCN(O)C=O)CO)CCCN(O)C=O
Compound: Betaestacin III
SMILES: OC[C@H]([C@H]1[C@@H]2[C@@](CC=C(CC=C3[C@H](C(=CC2)C)CC[C@@H]3C)C)(C)CC1)C
Compound: Rubrumline F
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC(=C3)C[C@H](O)C(OC)(C)C)NC2C(C=C)(C)C)C
Compound: Formosterol A
SMILES: O=C1[C@H]2C(=CC=C3[C@@]2(CC[C@@H](C3)O)C)[C@@]4(O)C[C@@H]([C@@H]([C@]4([C@H]1O)C)[C@@H]([C@@H]5O[C@@H]5[C@@H](C(O)(C)C)C)C)O
Compound: Falconensin I
SMILES: O=C1C=C2C=C(OC[C@H]2[C@@H]([C@]1(OC(=O)C3=C(OC)C=C(O)C=C3C)C)O)/C=C/C
Compound: Cochlearin F
SMILES: O=C/1C2=C(C=CC(=C2)O)O\C1=C/C=C/C=C(/C=O)\C
Compound: Bhimamycin E
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C(=C1C(=O)C)CO
Compound: Betaestacin IV
SMILES: O=C(O)[C@H]([C@H]1[C@@H]2[C@@](CC=C(CC=C3[C@H](C(=CC2)C)CC[C@@H]3C)C)(C)CC1)C
Compound: Daidzein G2
SMILES: O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=C(OC)C(=C3)OC4O[C@H]([C@H](O)[C@H]([C@H]4OC)O)C
Compound: GL2a
SMILES: O=C(O[C@H](COC(=O)CCCCCCCC1C(CCCCCCCC)C1)CO[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O[C@H]3O[C@@H]([C@H](O)[C@@H]([C@H]3O)O)CO)O)CO)CCCCCCC/C=C\CCCCCCCC
Compound: (+/-)-cochlearin G
SMILES: O=C(OC)[C@H](CC(=O)C1=C(O)C=CC(=C1)O)CCC=C(C)C
Compound: Rubrumline K
SMILES: O=C/1N[C@](OC)(C(=O)N\C1=C/C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)CO
Compound: Hyafurone A2
SMILES: O=C1C(=C(CC(O)CC(O)/C=C/C=C/C(=C/C=C/C(C(O)C(CCC2=CC=CC=C2)C)C)/C)OC1(O)C)C
Compound: Betaestacin Va
SMILES: O=C(O)[C@H]([C@H]1[C@@H]2[C@@](C[C@@H](O)[C@](O)(CC=C3[C@H](C(=CC2)C)CC[C@]3(O)C)C)(C)CC1)C
Compound: Cochlearin H
SMILES: O=C(O)/C(=C\CC=C(C)C)/CC(=O)C1=C(O)C=CC(=C1)O
Compound: Helioferin A
SMILES: O=C(NC(C(=O)NC(CNCCO)C)(C)C)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)C(CCCCCC)C)CCC1)CC(CC(O)CC(=O)CC)C)C)(C)C)[C@H](CC)C)[C@H](CC)C)(C)C
Compound: Rubrumline L
SMILES: O=C1NC(O)=C(C=C2C3=C(C=CC(=C3)C[C@H](O)C(O)(C)C)N=C2C(C=C)(C)C)NC1=O
Compound: Sabetaafrin A
SMILES: O=C1C=C2C(=COC(=C2)CC(O)C)[C@@H]3[C@]1(OC(=O)[C@@H]3C(=O)/C=C(\O)/C=C/C(=C/C(CC)C)/C)C
Compound: BU-4601 A
SMILES: O=C(OCCCCCCCC(C)C)C1=C(N)C=CC(=C1)O
Compound: Betaestacin Vb
SMILES: O=C(O)[C@H]([C@H]1[C@@H]2[C@@](C[C@@H](O)[C@@](O)(CC=C3[C@H](C(=CC2)C)CC[C@]3(O)C)C)(C)CC1)C
Compound: Shengjimycin B1
SMILES: O=C1O[C@@H](CC=CC=CC(OC2OC(C(N(C)C)CC2)C)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](C1)OC(=O)C)OC)OC3OC(C(OC4OC(C(OC(=O)CC(C)C)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: Rubrumline M
SMILES: O=C1N[C@H](C(=O)N[C@H]1C(O)C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)C
Compound: Cochlearin I
SMILES: O=C(OC)/C(=C\C(=O)C1=C(O)C=CC(=C1)O)/CC/C=C(/CCC=C(C)C)\C
Compound: Ergophilone B
SMILES: O=C1C=2C(=CC([C@]1(OC(=O)C3=C(O)C=C(O)C=C3C)C)=O)C=C([C@@H]4[C@H]5C6=C7[C@@](CC[C@@H]6[C@]8(CC[C@@H](CC8=C5)O)C)(C)[C@H](C[C@@H]7[C@H]4C(=O)O)[C@@H](/C=C/[C@@H](C(C)C)C)C)OC2
Compound: SF2809-III
SMILES: O=C1N(C2=C(C=CC=C2)C(=C1CC=3NC=4C=CC=CC4C3CCO)O)C
Compound: Betaestacin Vc
SMILES: O=C(O)[C@H]([C@H]1[C@@H]2[C@@](C[C@@H](O)C(=C)CC=C3[C@H](C(=CC2)C)CC[C@]3(O)C)(C)CC1)C
Compound: Annulofuranone
SMILES: O=C1C=C(CCO)O[C@]1(CCCCCCCCCCCC)C
Compound: Rubrumline N
SMILES: O=C1N[C@H](C(=O)N[C@H]1C(OC)C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)C
Compound: Streptoxamine
SMILES: O=C1C2=C(O)C(OC)=C(O)C=C2C(=O)C=3C1=C(N(CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCNC(=O)CCCCCN(O)C(=O)C)C3)C
Compound: Kandenol A
SMILES: O=C1C=C([C@@H]2C[C@@H](C(O)(C)C)[C@@H](C[C@]2(C1)C)O)C
Compound: Betaestacin VI
SMILES: O=C(O)[C@H]([C@H]1[C@@H]2[C@@](CC=C(C[C@H](O)C3=C(C(=CC2)C)CC[C@@H]3C)C)(C)CC1)C
Compound: Pestalafuranone D
SMILES: O=C1OCC(=C1/C=C/C)C[C@H]2O[C@@H]2C
Compound: 4-amino-6-hydroxyquinoline-8-carboxylic acid
SMILES: O=C(O)C=1C2=NC=CC(=C2C=C(C1)O)N
Compound: Rubrumline O
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)N(C2)C(C=C)(C)C)C
Compound: Vibralactone Y
SMILES: O=C1OC[C@H](CCO)C[C@@H]1CC=C(C)C
Compound: Fusidienol A
SMILES: O=C1C=2C(C(=O)OC)=CC=COC2OC3=C1C(O)=CC(=C3)C
Compound: (2Z,4E)-(1'S,3'R)-3′-hydroxy-gamma-ionylideneacetic acid
SMILES: O=C(O)/C=C(\C=C\[C@H]1C(=C)CC[C@H](C1(C)C)O)/C
Compound: Diaporthol A
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C4OC(C=CC4=CC3)(C)C
Compound: Endophenazine F1
SMILES: O=C1C=C2N(C3=C(C(C(=O)O)=CC=C3)N=C2C(=C1)CC=C(C)C)CC=C(CO)C
Compound: Thiazinotrienomycin A
SMILES: S1C2=C3NC(=O)CC(OC)C=CC=CC=CCC(C(C(C(=CCCC(=C3O)C=C2NC(C1)=O)C)O)C)OC(=O)C(NC(=O)C4=CCCCC4)C
Compound: Vibralactone Z1
SMILES: O=C1OCC(=C1)C[C@H]2C(=O)O[C@H](C2)C(O)(C)C
Compound: 7-methyl-6-methoxy-3-oxo-1,3-dihydroisobenzofuran-4-carboxylic acid
SMILES: O=C1OCC=2C1=C(C(=O)O)C=C(C)C2OC
Compound: Diaporthol B
SMILES: O=C1OC2=C(C(=CC(=C2)C)CO)OC=3C1=C4OC(C=CC4=CC3)(C)C
Compound: Norplicacetin
SMILES: O=C1N=C(NC(=O)C2=CC=C(N)C=C2)C=CN1[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](NC)[C@@H]([C@H]4O)O)C)CC3)C
Compound: Caldorin
SMILES: O=C(NCCC(C)C)[C@H]1[C@@](O)(C=C[C@H]2[C@@H]1CC=CC2)CCC
Compound: Vibralactone Z2
SMILES: O=C1OCC(=C1)C[C@@H]2C(=O)O[C@H](C2)C(O)(C)C
Compound: JBIR-69
SMILES: S(C(=O)[C@H]([C@@H](O)C(=O)OC)C(C)C)C[C@H](NC(=O)C)C(=O)O
Compound: Trichaspside D or E
SMILES: O=C(N[C@H]1[C@H](O[C@H](CO)[C@H]([C@@H]1O)O)O[C@H](C[C@H]2O[C@@H]3C=C(CC[C@@H]3[C@H](C2)C)C)C)C
Compound: Notoamide E4
SMILES: O=C1C2=C(N=C(C(C=C)(C)C)N3[C@@H](C1)C(=O)N4CCC[C@H]4C3=O)C5=C(OC(C)(C)C=C5)C=C2
Compound: Ab-bis-homopanol
SMILES: O[C@@H]([C@H](O)CO)[C@H](O)CC[C@H]([C@@H]1[C@H]2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5([C@H](C(CCC5)(C)C)CC4)C)CC3)C)(C)CC2)(C)CC1)C
Compound: Pestalustaine A
SMILES: O[C@@H]1C=C[C@]2(C)C[C@@H]3[C@]1([C@H](C2)C[C@@]3(CO)C)CO
Compound: Varioxiranol F
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)C[C@H](O)C(OCC5=C(OC)C=CC=C5/C=C/[C@@H](O)[C@@H](O)CCC)(C)C
Compound: Vibralactone Z3
SMILES: O=C1OCC(=C1)C[C@@H]2C(=O)O[C@H](C2)C(=C)C
Compound: (-)-bipolaride B
SMILES: O=C1C(=O)C=2C(OC)=CC(=C3C2C1=C(O)C4=C3O[C@H](C4(C)C)C)C
Compound: 3beta-acetoxy-24-methylene-8-en-26-oic este
SMILES: O=C(OC)C(C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)C
Compound: Paraherquamide H
SMILES: O=C1N([C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)NC5=C4C=CC6=C5OC=CC(O6)(C)C)C[C@]17N(C(=O)C[C@@H]7C)C3)C
Compound: Pestalustaine B
SMILES: O=C1OC2=C(C(=CC(=C2)O)C)C3=C1[C@H]4[C@](C=C[C@@H]4C)([C@@H](O)[C@@H](O)C=CC)O3
Compound: Cylindrocarpyridone A
SMILES: O=C1C2=C(O)N(C=C3C2=C(C(OC)=CC3=O)C(=C1)C)CCO
Compound: Neosarcodonin A
SMILES: O=CC1=CC[C@@H]2C3=C(C(CO)C)CC[C@]3(C)CC[C@]2([C@H]([C@H]1OC)O)C
Compound: 19-hydroxylabda-8(17)-en-16,15-olide
SMILES: O=C1OCCC1CC[C@H]2C(=C)CC[C@@H]3[C@@]2(CCC[C@@]3(CO)C)C
Compound: Bipolaride C
SMILES: O=C1C2=C(O)C3=C(O[C@H](C3(C)C)C)C=4C2=C(C1O)C(OC)=CC4C
Compound: Guanacastepene G
SMILES: O=C1C2=C3[C@@](CC[C@]4([C@@H]([C@H]3OC2)C(=O)[C@H](OC(=O)C)[C@@H]4C(C)C)C)(C)CC1
Compound: 2-chloro-cladosporol D
SMILES: Cl[C@@H]1C(=O)C2=C(C(O)=CC=C2[C@H]3C4=C(C(O)=CC=C4)C(=O)CC3)[C@H]([C@H]1O)O
Compound: Thielavin N
SMILES: O=C(OC1=C(C(=C(C(=O)O)C(=C1)OC)C)C)C2=C(O)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C)C
Compound: Cylindrocarpyridone B
SMILES: O=C1C(C(=O)O)=CN(CCO)C(=C1)CC[C@@H](CO)CC
Compound: (-)-bipolaride E
SMILES: O=C1OC=2C(OC)=CC(=C3C2C1=C(O)C4=C3O[C@H](C4(C)C)C)C
Compound: 4-methoxy-6-pentylpyran-2-one
SMILES: O=C1OC(=CC(=C1)OC)CCCCC
Compound: Saptomycin A
SMILES: O=C1C2=C3OC(=CC(C3=C(C)C=C2C(=O)C=4C1=C(O)C=CC4)=O)C(C(O)/C=C\C)C
Compound: 12-deoxyroridin J
SMILES: O=C1OC[C@@]23[C@@]4(C(=C)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=C[C@@H]5O[C@H]([C@@H](C(=C1)C)O)O[C@H]5C)C
Compound: Violapyrone J
SMILES: O=C1OC(=CC(=C1C)O)CC[C@H](CC)C
Compound: 8-hydroxyherbarin
SMILES: O=C1C2=C(OC)C(O)=C(OC)C=C2C(=O)C3=C1CO[C@@](C3)(O)C
Compound: Cryptosphaerolide
SMILES: O=C(O[C@H]1[C@@]23O[C@@H]2[C@@]4(OCC([C@@H]4C[C@@]3([C@@H](C)CC1)C)=C)O)C(O)(CO)CC(CC(CC)C)C
Compound: Bipolarol A
SMILES: O=C1C(=O)C=2C(OC)=CC(=C3C2C1=C(O)C4=C3O[C@@](C4(C)C)(O)C)C
Compound: Brocazine D
SMILES: S1S[C@]23N([C@@H]4[C@@H](O)[C@@H](O)CC([C@@H]4C2)=O)C([C@]15N([C@@H]6[C@@H](O)[C@@H](OC)CC([C@@H]6C5)=O)C3=O)=O
Compound: 12-deoxyepiisororidin E
SMILES: O=C1OC[C@@]23[C@@]4(C(=C)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=C[C@H](OCCC(=C1)C)[C@H](O)C)C
Compound: D-fucopyranose
SMILES: C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
Compound: Bipolarol B
SMILES: O=C1C2=C(O)C3=C(OC(C3(C)C)(O)C)C=4C2=C(C1(O)C)C(OC)=CC4C
Compound: Cylindrocarpone A
SMILES: O=C1O[C@H](O)C=2C(O)=CC(=C3C2C1=C(O)C=C3C)OC
Compound: Rhodostreptomycin B
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: Speciosin F
SMILES: O1[C@@]2(C#CC(O)COC)[C@@H](O)C=C[C@@H]([C@@H]12)O
Compound: Gamma-Abscisolactone
SMILES: O=C1C(O)=CC(C)(C)C(=C1C)/C=C/2\OC(=O)C=C2C
Compound: Kiamycin B
SMILES: O=C1C2=C(C[C@](C1)(O)C)C[C@H]3[C@]4([C@@H]2[C@@H](O3)C=5C=CC=C(C5[C@H]4O)OC)O
Compound: Bipolarol C
SMILES: O=C1C2=C(OC(O)=C3C2=C(C(C)=CC3=O)C4=C1C([C@](O)(C)O4)(C)C)O
Compound: Cylindrocarpone B
SMILES: O=C1O[C@H](O)C=2C(O)=CC(=C3C2C1=C(O)C(O)=C3C)OC
Compound: Spiromabetaaritone
SMILES: O=C1[C@H](O)[C@]23C(=O)OC([C@@H]2O[C@H](C1)[C@H]3C)=C