MonarchInit/C3PO huggingface dataset:
Compound: Pestalol A
SMILES: OC1=C(C(=C(CC=C(C)C)C=C1)/C=C/CCCCC)CO
Compound: (10Z)-15-acetoxy-10-cycloneren-3,7-diol
SMILES: O=C(OC/C(=C\CCC(O)([C@@H]1[C@H]([C@](O)(C)CC1)C)C)/C)C
Compound: Asteltoxin D
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C/C=C/[C@H]2O[C@@H]3[C@@]4([C@@](O)([C@@H](C)O[C@@H]4O[C@@H]3[C@@H]2O)C)C
Compound: Semiplenamide E
SMILES: O=C(N[C@H](COC(=O)C)C)/C(=C/CCCCCCCCCCCCCCC)/C
Compound: 22-deoxyminiolutelide A
SMILES: O=C1OC(C2=C[C@@H](OC(=O)OC)[C@]3([C@H]([C@H](C2=C1)C)C[C@]4(C(=O)O[C@@H]5[C@H]4[C@H]3C(=O)[C@@H](O5)C)C)C)(C)C
Compound: Thermoactinoamide A
SMILES: O=C1N[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]1[C@H](CC)C)=O)CC(C)C)=O)CC(C)C)CC(C)C)C(C)C)CC2=CC=C(O)C=C2
Compound: Chrysopiperazine A
SMILES: O=C1N2C(=NC3=C1C=C(OC)C=CO3)[C@@](OC)(NC([C@H]2C(C)C)=O)[C@H](CC)C
Compound: Abscisterol B
SMILES: O[C@@H]1C[C@H]2[C@]([C@@H]3C([C@H]4[C@](/C(=C/CCC(=C)C(C)C)/CC4)(C)CC3)=CC2)(CO)CC1
Compound: Decarboxydehydrosanguinone A
SMILES: O=C1C=2NCN[C@@H]3C2C=4N(C=CC=5C4C1=NC5)CC3
Compound: Tricladolide D
SMILES: O=C1OC(=O)C(=C1/C=C/CCCCCC)C
Compound: Spirostaphylotrichin X
SMILES: O=C1C=C/C(=C/CC)/[C@]2([C@@H]1O)C(=O)N(OC)[C@]([C@@H]2O)(OC)C
Compound: Gordonic acid
SMILES: O=C(O)/C=C/C=C/C=C/C=C/C(=C/[C@H]([C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](C1)O)C)C(C)C)C)/C
Compound: 7-beta-hydroxy CAF-603
SMILES: O[C@]1([C@@H]2[C@@](CC=C([C@H](C2)O)C)(C)C[C@H]1O)C(C)C
Compound: Punctaporonin J
SMILES: O=C(N[C@@H]1C(=C)C[C@H](OC(=O)C)[C@@]2(O)C(C)(C)C[C@@H]2C(=C[C@@H]1O)CO)/C=C(/CCO)\C
Compound: Chrysopiperazine B
SMILES: O=C1N2C(=NC3=C1C=C(OC)C=CO3)[C@](OC)(NC([C@H]2C(C)C)=O)[C@H](CC)C
Compound: Aspochalasin T
SMILES: O=C1C(O)CC(=O)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC1O)C)C)CC(C)C
Compound: Preubetain C
SMILES: O=C(O)CC[C@H]1N([C@@H](CC2=CC=CC=C2)[C@H](C1)O)C
Compound: Thalabetaosamide
SMILES: O=C1O[C@@H](CC(=O)N(O)CCCC[C@@H](NC(=O)CCC(=O)O)C(=O)O[C@@H](CC(=O)N(O)CCCC[C@H](C(O[C@@H](CC(N(CCCC[C@H]1NC(=O)CCC(=O)O)O)=O)C)=O)NC(=O)CCC(=O)O)C)C
Compound: Sulfomycin III
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N/C(/C=3OC(C)=C(N3)C(=O)N[C@H](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)N)=C)=C)=C)=CO6)=C)=O)=C)=O)=C(O5)C)=C/C)=O)=C\CO)[C@H](O)C
Compound: Conidiogenone C
SMILES: O=C1C=C[C@@H](C)[C@@]23[C@@]1(CC[C@@H]2[C@H]4[C@@](CC[C@]4(C3)C)(CO)C)C
Compound: Chrysopiperazine C
SMILES: O=C1N2C(=NC3=C1C=C(OC)C=C3)[C@@](OC)(NC([C@H]2C(C)C)=O)[C@H](CC)C
Compound: (-)-applanatumol V
SMILES: O=C(O)[C@@H]1[C@@H](C(=O)C2=C(O)C=CC(=C2)O)[C@H](C(C=O)=C)CC1
Compound: Aspulvinone R
SMILES: O=C1O/C(=C\C2=CC(OC)=C(O)C(=C2)O)/C(=C1C3=CC=C(O)C=C3)O
Compound: Preubetain D
SMILES: O=C(O)CCCC[C@H]1N([C@@H](CC2=CC=CC=C2)[C@H](C1)O)C
Compound: Pestahivin
SMILES: O=C1O[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(N([C@H](C(N[C@H](C(N([C@H]1C)C)=O)C[C@@H](CCCC)C)=O)CC=2C3=C(C=CC=C3)NC2)C)=O)CC(C)C)CC(C)C)C)C[C@@H](CCCC)C)CCC#N
Compound: 5R-hydroxyrecifeiolide
SMILES: O=C1O[C@@H](CC=CCC[C@@H](CCC1)O)C
Compound: Seco-milbemycin A
SMILES: O=C1OC/C(=C\C=C\[C@@H](C/C(=C/C[C@H]2O[C@](O[C@@H]([C@H](CCC)C)CC)(C[C@H](C2)O)C)/C)C)/C3=C1C=C(C)C(=C3)O
Compound: BCA 7
SMILES: O=C1C(=C(O)C(OC)CC1)CC2C(=CCC2(O)C)C(CCC(O)C(O)(C)C)C
Compound: Preubetain E
SMILES: O=C(O)CCCCC[C@H]1N([C@@H](CC2=CC=CC=C2)[C@H](C1)O)C
Compound: Asperphenalenone A
SMILES: O=C1C2=C(O)C(=C(O)C=3C2=C(C(O)=CC3C)C([C@@]1(O)C/C=C(/CC/C=C(/CC/C=C(\CO)/CCC=C(C)C)\C)\C)=O)C
Compound: 5S-hydroxyrecifeiolide
SMILES: O=C1O[C@@H](CC=CCC[C@H](CCC1)O)C
Compound: Virescenoside X
SMILES: O1[C@@H](OC[C@]2([C@@H](O)[C@H](O)C[C@]3([C@H]2C[C@@H](O)C4=C3CC[C@@](C4)(C=C)C)C)C)[C@@H](O)[C@H](O)[C@@H]([C@H]1CO)O
Compound: Monomethyl-(S)-mitorubrin
SMILES: O=C1C=2C(C=C(/C=C/C)OC2)=CC([C@@]1(OC(=O)C3=C(OC)C=C(O)C=C3C)C)=O
Compound: Preubetain F
SMILES: O=C(O)CCCCCC[C@H]1N([C@@H](CC2=CC=CC=C2)[C@H](C1)O)C
Compound: 1-N-methylalbonoursin
SMILES: O=C/1N(/C(/C(=O)N\C1=C/C2=CC=CC=C2)=C/C(C)C)C
Compound: Asperphenalenone B
SMILES: O=C1C2=C(O)C(=C(O)C=3C2=C(C(O)=CC3C)C([C@@]1(O)C/C=C(/CC/C=C(/CC/C=C(/C(=O)O)\CC[C@@H](O)C(O)(C)C)\C)\C)=O)C
Compound: 2-methyl-5-methoxy-benzopyran-4-one
SMILES: O=C1C2=C(OC(=C1)C)C=CC=C2OC
Compound: Resomycin A
SMILES: O=C1C2=C(O)C3=C([C@H](C(=O)OC)[C@@](O)(C)CC3)C=C2C(=O)C=4C1=C(O)C=CC4
Compound: Ent-cladospolide F
SMILES: O=C1O[C@@H](CCCCCC[C@H](O)C)[C@@H](C1)O
Compound: Preubetain G
SMILES: O=C(O)CCCCCCCC[C@H]1N([C@@H](CC2=CC=CC=C2)[C@H](C1)O)C
Compound: Cyclo(N-methyl-L-Phe-L-Val-D-Ile-L-Leu-L-Pro)
SMILES: O=C1N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H]1CC(C)C)=O)C(CC)C)=O)C(C)C)CC3=CC=CC=C3)C)CCC2
Compound: Asperphenalenone C
SMILES: O=C1C2=C(O)C(=C(O)C=3C2=C(C(O)=CC3C)C([C@@]1(O)C/C=C(/CC/C=C(/CC/C=C(\C(=O)O)/CC[C@@H](O)C(O)(C)C)\C)\C)=O)C
Compound: 4-Hydroxymethyl-2-methylindole
SMILES: OCC1=C2C(NC(=C2)C)=CC=C1
Compound: Cladospolide G
SMILES: O=C1O[C@@H](CCCCCC[C@H](OC(=O)C)C)[C@@H](C1)O
Compound: Halovir E
SMILES: O=C(N1[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](CO)CC(C)C)CCC(=O)N)C(C)C)CC(C)C)CCC1)C(NC(=O)CCCCCCCCCCC)(C)C
Compound: Preubetain H
SMILES: O[C@@H]1[C@@H](N(C)[C@@H](C1)CCCCCCC[C@H](O)C)CC2=CC=CC=C2
Compound: Asperphenalenone D
SMILES: O=C1C2=C(O)C(=C(O)C=3C2=C(C(O)=CC3C)C([C@@]1(O)C/C=C(/CC/C=C(/CCC4OC(C(O)(C)C)CCC4C(OC)OC)\C)\C)=O)C
Compound: Micropeptin 88-C
SMILES: O=C1O[C@@H]([C@H](NC(=O)CCC(NC(=O)[C@@H](NC(=O)CCC)CC2=CC=C(O)C=C2)C(=O)O)C(=O)N[C@H](C(=O)NC3CC[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)C(C)C)C3=O)O)CC5=CC=C(O)C=C5)C
Compound: Linieodolide A
SMILES: O=C(OC)CC(O)CC(O)CC(O)/C=C/C=C/CCC[C@H](O)C
Compound: Monacolin K
SMILES: O=C1O[C@@H](C[C@H](C1)O)CC[C@@H]2[C@@H]3C(C=C[C@@H]2C)=C[C@H](C)C[C@@H]3OC(=O)[C@@H](CC)C
Compound: Cladospolide H
SMILES: O=C1OC(=CCCCCC[C@H](O)C)C=C1
Compound: Preubetain I
SMILES: O[C@@H]1[C@@H](N(C)[C@@H](C1)CCCCCC[C@H](O)CC)CC2=CC=CC=C2
Compound: Asperphenalenone E
SMILES: O=C1C2=C(O)C(=C(O)C=3C2=C(C(O)=CC3C)C([C@@]1(O)C/C=C(/CC/C=C(/CC/C=C(\CO)/CC[C@@H](O)C(O)(C)C)\C)\C)=O)C
Compound: Epi-deacetylgriseusin A
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1[C@@]4(O[C@@H](C[C@@H]([C@H]4O)O)C)O[C@H]5[C@@H]3OC(=O)C5
Compound: Guanacastepene D
SMILES: O=C1N2C=3C4=C(C(=O)[C@@H]([C@]4(CC[C@]5(C3C1=CCC5)C)C)C(C)C)OCC2
Compound: Lucidenic acid O
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)C(=C)CCC(=O)O)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H]([C@]4(CO)C)O)C
Compound: Nipyrone B
SMILES: O=C1OC(=C(C)C(=C1C)O)[C@H](C[C@H](CC)C)C
Compound: Preubetain J
SMILES: O[C@@H]1[C@@H](N(C)[C@@H](C1)CCCCCC(O)C)CC2=CC=CC=C2
Compound: Glomephenanthrene A
SMILES: O=C1N([C@@H](C(=O)OC)CC1)CC=2C=C(OC)C3=C(OC)C=C4C(=C3C2)C=CC(=C4)OCC5=CC=CC=C5
Compound: Microginin 299-D
SMILES: ClC(Cl)CCCCCC[C@H](N)[C@H](O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)O)CCC1)CC2=CC=C(O)C=C2)C)C(C)C)C)C(C)C
Compound: 2-(3'-(2'-hexylcyclopropyl)propyl)-4-hydroxyquinoline
SMILES: O=C1C2=C(NC(=C1)CCCC3C(CCCCCC)C3)C=CC=C2
Compound: 5,7-dihydroxy-2-[1-(4-methoxy-6-oxo-6H-pyran-2-yl)-2-phenylethylamino]-[1,4]naphthoquinone
SMILES: O=C1C(N[C@H](C=2OC(=O)C=C(C2)OC)CC3=CC=CC=C3)=CC(=O)C4=C1C=C(O)C=C4O
Compound: Glomeremophilane A
SMILES: O=C1C2=C(C=C([C@@H](C(=O)CO)C)C(=C2)O)C(C)(C)C=C1
Compound: Preubetain K
SMILES: O[C@@H]1[C@@H](N(C)[C@@H](C1)CCCCCC(O)CCC)CC2=CC=CC=C2
Compound: Sch-42137-13-acetate
SMILES: O=C1N(C(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)CCC6OC(=O)C)OC5C(=C4C[C@H]7C3C2OCO7)OC)CC)C
Compound: Nipyrone C
SMILES: O=C1OC(=CC(=C1C)OC)[C@H](C[C@](O)(CC)C)C
Compound: Verticillin F
SMILES: S1S[C@@]23N([C@H]4NC=5C=CC=CC5[C@]4([C@@H]2O)C67C8=C(C=CC=C8)N[C@@H]6N9C(=O)[C@]%10(C(O)C)SS[C@@]9([C@H]7O)C(=O)N%10C)C([C@]1(N(C)C3=O)C(=O)C)=O
Compound: Isochaetominine A
SMILES: O=C1N(C=NC2=C1C=CC=C2)[C@H]3C(=O)N4[C@@H]5N(C([C@@H]4C(C)C)=O)C6=C([C@@]5(C3)O)C=CC=C6
Compound: 3R-hydroxy-9R,10R-dihydroharzianone
SMILES: O=C1[C@H]2[C@@]([C@H]3[C@@]4(C(C)(C)[C@H](C3)[C@H](O)C[C@H]4C)CC[C@H]2C)(C)C1
Compound: Glomeremophilane B
SMILES: O=C1C=C[C@H](C)[C@@]2([C@H]1[C@H](O)[C@@]3(OC(=O)C(=C3C2)C)OC)C
Compound: 5alpha-lanosta-7,9(11),24-triene-3beta-hydroxy-26-al
SMILES: O=C/C(=C/CC[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)=CC2)(C)CC1)C)C)/C
Compound: Nipyrone A
SMILES: O=C1OC(=CC(=C1C)O)[C@H](C[C@H](CC)C)C
Compound: 11R-methoxy-5,9,13-proharzitrien-3-OL
SMILES: O([C@H]1C=C(CCC2=C(C[C@H]([C@H](CC=C(C1)C)C2(C)C)O)C)C)C
Compound: (4S,5R,10R)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione
SMILES: O=C1O[C@@H](CCC(=O)C[C@H]([C@H](C1)O)OC)C
Compound: 9-phenanthryl beta-D-glucopyranoside
SMILES: OC[C@H]1O[C@@H](Oc2cc3ccccc3c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 6-Desmethyl-griseofulvin
SMILES: ClC1=C(O)C=C(OC)C2=C1O[C@@]3(C(OC)=CC(=O)C[C@H]3C)C2=O
Compound: Glomeremophilane C
SMILES: O=C1C2=C[C@@]3(OC(=O)C(=C3C[C@@]2([C@@H](C)C=C1)C)C)OC
Compound: Repraesentin A
SMILES: OC[C@@]1(C[C@@H]2[C@@]3(C(CC3)=C(C[C@@H]2C1)C)C)C
Compound: 11-methoxy-9-cycloneren-3,7-diol
SMILES: O(C(/C=C/C[C@@](O)([C@H]1[C@@H]([C@@](O)(C)CC1)C)C)(C)C)C
Compound: Peninaphone A
SMILES: O=C1C2=C(O)C3=C(O)C=C(O)C=C3C=C2O[C@H]([C@H]1C)C
Compound: 3alpha,6beta-dihydroxycinnamolide
SMILES: O=C1OC[C@H]2C1=C[C@@H](O)[C@H]3C([C@H](O)CC[C@]23C)(C)C
Compound: Trichobrachin-IIA
SMILES: O=C(N1C(C(=O)NC(C(=O)O)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: Glomeremophilane D
SMILES: O=C1C2=C[C@@]3(OC(=O)C(=C3C[C@@]2([C@@H](C)C=C1)C)C)O
Compound: Arthropsatriol C
SMILES: O=C1C2=C(C=CC(=C2)O)[C@@H](O)[C@H]([C@@]1(O)C)C
Compound: Peninaphone B
SMILES: O=C1C2=C(O)C3=C(O)C=C(O)C=C3C=C2O[C@H]([C@@H]1C)C
Compound: 9-phenanthryl beta-D-glucosiduronic acid
SMILES: O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C3=C(C=4C=CC=CC4C2)C=CC=C3)O)O)O)C(O)=O
Compound: 10-cycloneren-3,5,7-triol
SMILES: O[C@]1([C@H]([C@H]([C@](O)(CCC=C(C)C)C)[C@H](C1)O)C)C
Compound: Lorneic acid E
SMILES: O=C(O)C[C@@H](O)C/C=C/C1=C(C=C(C)C=C1)/C=C/CC
Compound: Tetromycin 3
SMILES: O=C1OC23C(C=C(CCC=C(C4C(C(=C1C2=O)O)(C5C(=CCC(C5CC4C)OC6OC(C(OC(=O)C7=C(OC)C=C(O)C=C7C)C(C6O)O)C)C)C)C)C)C=C(C(=O)O)C(C3)C
Compound: Okilactomycin B
SMILES: O=C1[C@@]2(C(=O)O[C@]34[C@@H]2O[C@@H]([C@@H]1COCC(O)CO)[C@@H](C[C@@H](CCC[C@H]3C=C(C(=O)O)[C@H](C4)C)C)C)C
Compound: 3alpha-hydroxy-24-methylene-23-oxolanost-8-en-26-carboxylic acid
SMILES: O=C(O)C(C(C(=O)C[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)=C)C
Compound: Peninaphone C
SMILES: O=C1C=C(O)C2=C(O)C3=C(O)C(C)=C(OC3=CC2=C1)C
Compound: Methyl 3,7-dihydroxy-15-cycloneranate
SMILES: O=C(OC)C(CCC[C@@](O)([C@H]1[C@@H]([C@@](O)(C)CC1)C)C)C
Compound: (-)-applanatumol M
SMILES: O=C1O[C@H]2C(=C)[C@H]([C@@]1(CC2)CC(=O)C3=C(O)C=CC(=C3)O)O
Compound: Lorneic acid F
SMILES: O=C(O)CCC/C=C/C1=C(C=C(C)C=C1)/C=C/CC
Compound: Tauramamide methyl ester
SMILES: O=C(OC)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCCCC(C)C)CC1=CC=C(O)C=C1)CO)CC(C)C)CC=2C3=C(C=CC=C3)NC2)CCCN=C(N)N
Compound: 9-phenanthryl sulfate
SMILES: [O-]S(=O)(=O)Oc1cc2ccccc2c2ccccc12
Compound: (E)-9-etheno-de-O-methyllasiodiplodin
SMILES: O=C1O[C@@H](CCCCCC=CC=2C1=C(OC)C=C(O)C2)C
Compound: Terrosamycin A
SMILES: O=C(O)[C@@H]([C@H]1O[C@H](CC[C@@H]1C)C[C@@H]2O[C@@](O)([C@@H](C)C[C@H]2C)C[C@H]3O[C@](O)([C@H](C)C[C@@H]3C)C[C@@H](O)[C@H](C(=O)[C@](O)([C@H]4O[C@@]([C@@H]5O[C@H]([C@@](O)(C)CC5)C)(C)CC4)C)C)C
Compound: 8-acoren-3,11-diol
SMILES: OC([C@H]1[C@@]2([C@@H](C)[C@@H](C1)O)CC=C(C)CC2)(C)C
Compound: Dendrodolide C
SMILES: O=C1O[C@@H](C[C@H](O)CC(=O)CC=C[C@H](C1)O)C
Compound: Lorneic acid G
SMILES: O=C(O)CCC/C=C/C1=C(C=C(C)C=C1)/C=C/[C@@H](O)C
Compound: Cyclic trichrysobactin
SMILES: O=C1OC[C@H](NC(=O)[C@H](NC(=O)C2=C(O)C(O)=CC=C2)CCCCN)C(=O)OC[C@@H](C(OC[C@@H]1NC(=O)[C@H](NC(=O)C3=C(O)C(O)=CC=C3)CCCCN)=O)NC(=O)[C@H](NC(=O)C4=C(O)C(O)=CC=C4)CCCCN
Compound: Lentinulactam
SMILES: O=C1N[C@]2(O)C[C@](C1=C)([C@H]3[C@H](O)C(C)(C)C[C@H]3C2)C
Compound: Terrosamycin B
SMILES: O=C(O)[C@@H]([C@H]1O[C@H](CC[C@@H]1C)C[C@@H]2O[C@@](OC)([C@@H](C)C[C@H]2C)C[C@H]3O[C@](OC)([C@H](C)C[C@@H]3C)C[C@@H](O)[C@H](C(=O)[C@](O)([C@H]4O[C@@]([C@@H]5O[C@H]([C@@](O)(C)CC5)C)(C)CC4)C)C)C
Compound: Montagnetol
SMILES: O=C(OC[C@H](O)[C@H](O)CO)C1=C(O)C=C(O)C=C1C
Compound: Fusaristatin C
SMILES: O=C1NCCC(=O)N[C@H](C(=O)O[C@H]([C@H](C(NC1=C)=O)C)CCCCCCCC(CCC)C)CO
Compound: 9-ribosyl-cis-zeatin
SMILES: C\C(CO)=C\CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Compound: Lorneic acid H
SMILES: O=C(O)CCC/C=C/C1=C(C=C(C)C=C1)CO
Compound: Saponaceolide P
SMILES: O=C1[C@@]2(O[C@]3(OC[C@@H](CC[C@H]4C([C@H](C(=C)CC4)C(=O)CC=5C(=O)OCC5)(C)C)CC3)[C@@](C1)(C)OC2(C)C)O
Compound: (7S,11S,12S,14R)-4'-methoxyamentol
SMILES: O1C(=C[C@@]2(CCC[C@@]2([C@]13OC(C)(C)[C@@H](C3)O)C)C)C/C(=C/CC4=C(O)C(=CC(=C4)OC)C)/C
Compound: 14,15-dehydro-(Z)-14-ophiobolin G
SMILES: O=C1C=C(C)[C@@H]2[C@H]1C(=CC[C@H]3\C(=C(/C=C/C=C(C)C)\C)\CC[C@@]3(C2)C)C=O
Compound: Lorneic acid I
SMILES: S(SCC(NC(=O)C)C(=O)O)C(C1=C(C=CC(=C1)C)/C=C/CCCC(=O)O)CCC
Compound: Biemamide A
SMILES: O=C1N(C(=O)[C@H](NC(=O)CCNC(=O)CCCCCCCCCCCCC(C)C)CN1)C
Compound: Penitrem H
SMILES: ClC1=C2C3=C4C=5[C@@H](OC([C@@H]6[C@]3(O)[C@H](C6)C(C2)=C)(C)C)C7(OC)CC[C@@]8([C@@]([C@]7(C5NC4=C1)C)(CC[C@H]9[C@@]8%10O[C@@H]%10[C@@H](O)[C@H](O9)C(=C)C)C)O
Compound: Inoterpene C
SMILES: O(O)C(C=CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)(C)C
Compound: Aspergillipeptide A
SMILES: O=C1O[C@@H]([C@H](NC(=O)/C=C/C2=CC=C(O)C=C2)C(=O)N[C@H](C(=O)N[C@@H](C(NC[C@@H]1C)=O)C)CC(C)C)C
Compound: 14,15-dehydro-6-epi-ophiobolin K
SMILES: O=C1[C@@H]2C(=CC[C@H]3/C(=C(/C=C/C=C(C)C)\C)/CC[C@@]3(C[C@@H]2[C@@](C1)(O)C)C)C=O
Compound: Lorneic acid J
SMILES: O=C(O)C/C=C/C1=C(C=C(C)C=C1)/C=C/CC
Compound: Biemamide B
SMILES: O=C1N(C(=O)[C@H](NC(=O)CCNC(=O)CCCCCCCCCCCCCCC)CN1)C
Compound: Neolymphostinol C
SMILES: O=C(NC=1C=2NC(C(=O)CCO)=CC=3C2C(=NC3)C(C1)=N)[C@H](CC)C
Compound: Actinoallolide B
SMILES: O=C1O[C@@H]([C@@H]([C@H](O)[C@@H](CC(=C[C@@H]([C@@H](O)[C@@H]([C@@H](O)CC)C)C)C)C)C)CC=C(C)CC2(OC(C1)(O)[C@@H](C2=O)CC)C
Compound: 14,15-dehydro-ophiobolin K
SMILES: O=C1[C@H]2C(=CC[C@H]3/C(=C(/C=C/C=C(C)C)\C)/CC[C@@]3(C[C@@H]2[C@@](C1)(O)C)C)C=O
Compound: 3-amino-N-[(6S,7R)-3-butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-2-hydroxybenzamide
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C(O)C(N)=CC=C2)C(=O)OC(C(CC)C)C(OC(C(C1(C)C)=O)CC(C)C)=O)C
Compound: Mortiamide A
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@@H]1C(C)C)=O)C(C)C)=O)CC2=CC=CC=C2)=O)CC3=CC=CC=C3)C(C)C)CC(C)C)C(C)C
Compound: Biemamide C
SMILES: O=C1N(C(=O)[C@H](NC(=O)CCNC(=O)CCCCCCC/C=C\CCCC(C)C)CN1)C
Compound: Nostotrebin 6
SMILES: O=C1C(=C(CC2=CC=C(O)C=C2)C(C1(C3=CC=C(O)C=C3)C4(C5=CC=C(O)C=C5)C(=O)C(CC6=CC=C(O)C=C6)=C(C4=O)CC7=CC=C(O)C=C7)=O)CC8=CC=C(O)C=C8
Compound: Gombapyrone F
SMILES: O=C1OC(=C(C)C(=C1C)OC)C/C=C(/C=C/C=C/C=C\C2=C(C=C(C)C=C2)[C@@H](O)C=C)\C
Compound: Pinodiketopiperazine A
SMILES: O=C1N[C@@H](C(=O)N(C1=CC2=CC=CC=C2)C)CCCO
Compound: 14,15-dehydro-6-epi-ophiobolin G
SMILES: O=C1C=C(C)[C@@H]2[C@H]1C(=CC[C@H]3/C(=C(/C=C/C=C(C)C)\C)/CC[C@@]3(C2)C)C=O
Compound: Biemamide D
SMILES: O=C1N(C(=O)[C@H](NC(=O)CCNC(=O)CCCCCCC/C=C\CCCCCC)CN1)C
Compound: Mortiamide B
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@@H]1C(C)C)=O)C(C)C)=O)CC2=CC=CC=C2)=O)CC3=CC=CC=C3)C(C)C)CC4=CC=CC=C4)C(C)C
Compound: Cyanosporaside C
SMILES: ClC1=C2C(=CC(=C1)CC#N)[C@@]3(O[C@@H]4O[C@@H]([C@@](OC(=O)C)(C)C([C@H]4O)=O)C)[C@@H](O)C=CC3=C2
Compound: Stereumin U
SMILES: O1[C@@]2(O)[C@](O)([C@H]3[C@H](O)[C@](O)(C=C[C@@H]3[C@H](C2)C)C)C(C1)=C
Compound: (1'S)-6,1'-O,O-dimethyl-7-chloroaverantin
SMILES: ClC1=C(O)C=2C(=O)C3=C(O)C(=C(O)C=C3C(C2C=C1OC)=O)[C@@H](OC)CCCCC
Compound: Biemamide E
SMILES: O=C1N(C(=O)[C@H](NC(=O)CCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CN1)C
Compound: Mortiamide C
SMILES: O=C1N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)C)=O)[C@@H](CC)C)=O)CC2=CC=CC=C2)[C@@H](CC)C)C(C)C)[C@@H](CC)C
Compound: 14,15-dehydro-ophiobolin G
SMILES: O=C1C=C(C)[C@@H]2[C@@H]1C(=CC[C@H]3/C(=C(/C=C/C=C(C)C)\C)/CC[C@@]3(C2)C)C=O
Compound: Desepoxy-4,5-didehydromethylenomycin A
SMILES: O=C1C(=C)[C@@H](C(=O)O)C(=C1C)C
Compound: Rosenonolactone 15,16-acetonide E
SMILES: O=C1[C@H]2[C@]([C@]34OC([C@]([C@@H]3C1)(CCC4)C)=O)(CC[C@](C2)([C@H]5OC(C)(C)OC5)C)C
Compound: Seongsanamide A
SMILES: O=C1N[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)CC3=CC(OC4=CC=C(C[C@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC)CC(C)C)C)C=C4)=C(O)C=C3)=O)[C@H](CC)C)CC(C)C)CC(C)C
Compound: Cochlioquinol
SMILES: O=C1C2=C(O[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(CC[C@@H](O4)C(O)(C)C)C)C)[C@](O)(CC(=O)C)C(=C1)[C@@H](C(=O)[C@H](CC)C)C
Compound: Auxarthrol D
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)[C@H]3[C@]1(O)[C@@H](O)[C@@H](O)[C@](O)(C)C3
Compound: Mortiamide D
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@@H]1[C@@H](CC)C)=O)C)=O)CC2=CC=CC=C2)=O)CC(C)C)C(C)C)CC3=CC=CC=C3)[C@@H](CC)C
Compound: 20,21-didehydroacutiphycin
SMILES: O=C1C([C@H](O)C(=CC[C@H](OC(=O)C[C@@]2(OC(C(=C[C@@H]1C)C)C[C@H](O)C2)O)CCC=CC)C)(C)C
Compound: Seongsanamide B
SMILES: O=C1N[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)CC3=CC(OC4=CC=C(C[C@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C)C=C4)=C(O)C=C3)=O)[C@H](CC)C)CC(C)C)CC(C)C
Compound: Cyclosporin D hydroperoxide
SMILES: O=C1N(C(C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(N[C@H](C(N[C@@H](C(N([C@H](C(N([C@H](C(N([C@H]1C(C)C)C)=O)CC(C)C)C)=O)CC(C)C)C)=O)C)=O)C)=O)CC(C)C)C(C)C)CC(C)C)C)C)C(C)C)C(O)C(/C=C/C(OO)C)C)C
Compound: Auxarthrol E
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@]3([C@]1(O)[C@@H](O)[C@@H](O)[C@@](C3)(O)C)O
Compound: (6E,10Z)-20-O-methylmyxalamide D
SMILES: O=C1C=C(O[C@H]2[C@@]1(O2)C(=O)C3=C(OC)C=C(OC)C=C3C(=O)OC)/C=C/C
Compound: Peneciraistin B
SMILES: O1[C@]2(OCC=3C(O)=C(C)C(=CC3C2)O)[C@@H](O)CC[C@@H]1C
Compound: Chrysogenolide A
SMILES: O=C1OC(C2=C[C@@H]3O[C@@]45O[C@H]6[C@H]7[C@@]5([C@@]3([C@H]([C@]8(C2=C1)OC8)C[C@]7(C(=O)O6)C)C)C(=O)O[C@@H]4C)(C)C
Compound: Urnucratin B
SMILES: O=C1C2=C(OC)C=CC=C2[C@@]3(O[C@H]4[C@H]5O[C@H]5C(C=6C4=C3C=CC6O)=O)C=C1
Compound: Auxarthrol F
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@]3([C@H]1[C@@H](O)[C@@H](O)[C@](C3)(O)C)O
Compound: Seongsanamide C
SMILES: O=C1N[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)CC3=CC(OC4=CC=C(C[C@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCC)CC(C)C)C)C=C4)=C(O)C=C3)=O)[C@H](CC)C)CC(C)C)CC(C)C
Compound: 5,6-dihydrocineromycin B
SMILES: O=C1O[C@@H]([C@H](CCC=C(C)[C@H](CC[C@](C=C1)(O)C)O)C)C
Compound: (2S)-2-[(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-3-methylbutanoic acid
SMILES: O=C1N([C@H](C(=O)O)C(C)C)CC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)[C@@H](C5)O)(C)C)CC[C@H]4C)C)C3
Compound: Chrysogenolide B
SMILES: O=C1OC([C@@]23O[C@@H]2C[C@]4([C@H]([C@]5(C3=C1)OC5)C[C@]6(C(=O)O[C@@H]7[C@H]6[C@]4(C(=O)[C@H](O7)C)C(=O)OC)C)C)(C)C
Compound: Auxarthrol G
SMILES: Cl[C@]12C(=O)C3=C(O)C=C(OC)C=C3C([C@]1(O)C[C@@](O)(C)[C@@H]([C@@H]2O)O)=O
Compound: 9-ribosylzeatin
SMILES: CC(CO)=CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Compound: Methynolide
SMILES: O=C1OC(C(O)(C=CC(=O)C(CC(C(C1C)O)C)C)C)CC
Compound: Pladienolide A
SMILES: O=C1OC(/C(=C/C=C/C(CC2OC2C(C(O)CC)C)C)/C)C(C=CC(O)C(CCC(C1)O)(O)C)C
Compound: Seongsanamide D
SMILES: O=C1N[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)CC3=CC(OC4=CC=C(C[C@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)CC(C)C)C)C=C4)=C(O)C=C3)=O)[C@H](CC)C)CC(C)C)CC(C)C
Compound: 6-O-acetyl hygrophorone A12
SMILES: O=C1C=C[C@@H]([C@]1(O)C(OC(=O)C)CCCCCCCCCCCC)O
Compound: Chrysogenolide C
SMILES: O=C1OC(C2=CC[C@]3([C@H]([C@@](C2=C1)(O)C)C[C@]4(C(=O)O[C@@H]5[C@H]4[C@]3(C(=O)[C@H](O5)C)C(=O)OC)C)C)(C)C
Compound: Auxarthrol H
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@@]34[C@@]1(O3)[C@@H](O)[C@@H](O)[C@](C4)(O)C
Compound: Lobarialide B
SMILES: O=C1O[C@@H]2[C@]3(C(=O)O[C@@H]2C[C@@]14C5=CC[C@]6([C@H]7[C@]([C@@H](C(C)C)CC7)(C)CC[C@@]6([C@H]5CC[C@H]43)C)C)C
Compound: alpha-hydroxyacetovanillone
SMILES: O=C(C1=CC(OC)=C(O)C=C1)CO
Compound: Seongsanamide E
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C)CC2=CC=C(O)C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1CC3=CC=C(O)C=C3)=O)[C@H](CC)C)=O)CC(C)C)CC(C)C)C
Compound: Chrysogenolide D
SMILES: O=C1OC(C2=C[C@@H]3OC=4[C@H](O[C@H]5[C@]6(C4[C@@]3([C@H]([C@]7(C2=C1)OC7)C[C@]6(C(=O)O5)C)C)O)C)(C)C
Compound: Sch 725680
SMILES: O=C1C=C2C=C(OC[C@H]2[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C)/C=C/C
Compound: Aspernolide N
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC3=C(O[C@H](C3)C(O)(C)C)C=C2)C(=C1O)C4=CC=CC=C4
Compound: 2-(2-hydroxyphenyl)-3-methoxy-5-phenylbenzene-1,4-diol
SMILES: O(C1=C(O)C(C2=CC=CC=C2)=CC(=C1C3=C(O)C=CC=C3)O)C
Compound: Epicoccamide B
SMILES: O=C1N(C(C)C(C1=C(O)C(CCCCCCCCCCCCCCO[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)OC(=O)C)CO)C)=O)C
Compound: Seongsanamide F
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1[C@H](O)C)=O)CC2=CC=C(O)C=C2)=O)[C@H](CC)C)CC(C)C)CC(C)C
Compound: Cucumin E
SMILES: O=C1[C@@]2(C(=C(C)C(C2)=O)[C@H]3[C@@H]1CC(C)(C)C3)C
Compound: Chrysogenolide E
SMILES: O=C1OC(C2=C[C@@H]3OC=4[C@H](O[C@H]5[C@H]6C4[C@@]3([C@H]([C@]7(C2=C1)OC7)C[C@]6(C(=O)O5)C)C)C)(C)C
Compound: Aspernolide O
SMILES: O=C1O[C@](C(=O)OCC)(CC2=CC3=C(O[C@H](C3)C(O)(C)C)C=C2)C(=C1O)C4=CC=C(O)C=C4
Compound: [(2S)-3-hydroxy-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptan-4-yl] acetate
SMILES: O=C(OC(C(=C)C(C)C)C(O)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)C
Compound: M-4
SMILES: O=C1C2=C(O)C3=C(OC)C(=CC=C3C=C2C(=O)C4=C1CC[C@@](C4)(O)C)C
Compound: Mycemycin F
SMILES: ClC1=C(C=2OC3=C(C=C(Cl)C=C3)C(NC2C(=C1)C(=O)O)=O)C
Compound: Aspernolide P
SMILES: O=C1O[C@](C(=O)OCC)(CC2=CC3=C(OC(C)(C)C(C3)O)C=C2)C(=C1O)C4=CC=C(O)C=C4
Compound: Desmethyldestruxin C
SMILES: O=C1N([C@H](C(=O)NCCC(=O)O[C@H](CC(CO)C)C(N2[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C(CC)C)=O)CCC2)=O)C)C
Compound: Chrysogenolide F
SMILES: O=C1C=C2C(=CC(=O)OC2(C)C)[C@]3([C@@H]4[C@@]1([C@H]5C(=O)[C@@H](O[C@@H]6[C@@]5(O)[C@](C(=O)O6)(C)C4)C)C)OC3
Compound: Alcalinaphenol E
SMILES: BrC1=C(OC)C(O)=C(O)C(=C1C)OC
Compound: Phelligridin C
SMILES: O=C1OC(=CC2=C1C3=C(C=C(O)C(=C3)O)C(O2)=O)/C=C/C4=CC=C(O)C=C4
Compound: Mycemycin G
SMILES: ClC1=CC=2C(=O)NC=3C(C(=O)OC)=CC=C(C3OC2C=C1)C
Compound: Chrysogenolide G
SMILES: O=C1[C@@]2(O[C@H]3OC([C@]4(C2=O)[C@]5(CC=C6C(=C([C@@H]5C[C@@]1([C@@H]34)C)C)CC(=O)OC6(C)C)C)=O)C
Compound: Circumdatin G
SMILES: O=C1N[C@H](C2=NC=3C(O)=CC=CC3C(N2C4=C1C=CC=C4)=O)C
Compound: Spirosorbicillinol C
SMILES: O=C1O[C@H]2[C@@H](C=C(C(=O)OC)C[C@@H]2O)O[C@]13C4(C(=O)/C(=C(\O)/C=C/C=C/C)/C(C3)[C@@](C4=O)(O)C)C
Compound: Acremine T
SMILES: O1C2=C(C(=CC(=C2)O)CO)C=C1C
Compound: Karnamicin C4
SMILES: S1C(=NC(=C1)C2=NC(=C(O)C(=C2OC)OC)C(=O)N)CC[C@@H](C(=O)C)C
Compound: Mycemycin H
SMILES: ClC1=C(C=2OC3=C(C=CC=C3)C(NC2C(=C1)C(=O)OC)=O)C
Compound: Ochrazepine A
SMILES: O=C1N[C@H](C2=NC=3C=CC=CC3C(N2C4=C1C=C(O[C@@H](C=5C(=O)O[C@H](C)[C@H](C5)O)[C@@H](O)C)C(=C4)O)=O)C
Compound: Chrysogenolide H
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: Laetirobin
SMILES: O=C(C1=C(O)C=C2OC(=CC2=C1)C3=C4OC=5C=C(O)C(=CC5[C@@H]4C(C=6OC=7C=C(O)C(=CC7C6)C(=O)C)(C=8OC=9C=C(O)C(=CC9C8)C(=O)C)CC3)C(=O)C)C
Compound: (24R)ergosta-7, 22E-diene-3beta, 5alpha, 6beta-triol-3-O-palmitate
SMILES: O=C(O[C@@H]1C[C@@]2(O)[C@]([C@@H]3C([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)CCCCCCCCCCCCCCC
Compound: Diaporol I
SMILES: O=C(O)[C@H]1[C@](O)(CC[C@@H]2[C@@]1(CCCC2(C)C)C)C
Compound: Aspersecosteroid A
SMILES: O=C1[C@@]2([C@]34O[C@@](O)([C@@H](O)C=C3[C@@]5([C@]([C@H]1O4)([C@@H]6[C@@H](O[C@H]([C@H]6C)[C@H](O)[C@@H](C(C)C)C)C5)C)O)C[C@H](CC2)O)C
Compound: Serinolamide C
SMILES: O=C(N[C@H](COC)CO)/C(=C/CCCCCCCCCCCCC)/C
Compound: Inonotin J
SMILES: O[C@]1([C@H]2[C@H]([C@@H](CO)CC2)[C@H]3[C@@](CO)(C)[C@H]3CC1)C
Compound: Ochrazepine B
SMILES: O=C1N[C@H](C2=NC=3C=CC=CC3C(N2C4=C1C=C(O[C@H](C=5C(=O)O[C@H](C)[C@H](C5)O)[C@@H](O)C)C(=C4)O)=O)C
Compound: 3,4,8-trihydroxy-6-(hydroxymethyl)-3,4-dihydronaphthalen-1(2H)-one
SMILES: O=C1C2=C(O)C=C(CO)C=C2[C@H](O)[C@H](C1)O
Compound: Flammulinolide D
SMILES: O=C1OCC2=C1[C@H]3[C@@H](O)C(C)(C)C[C@H]3C[C@H]2C
Compound: Aspersecosteroid B
SMILES: O=C1C=C2[C@]34O[C@H]([C@]5([C@]2(O)C[C@@H]6O[C@H]([C@H]([C@H]56)C)[C@H](O)[C@@H](C(C)C)C)C)C([C@]3(CC[C@@H](C[C@]1(O4)O)O)C)=O
Compound: Serinolamide D
SMILES: O=C(N[C@@H](COC(=O)C)COC)/C(=C/CCCCCCCCCCCCC)/C
Compound: Ochrazepine C
SMILES: O=C1N[C@H](C2=NC=3C=CC=CC3C(N2C4=C1C=C(O)C(=C4)O[C@@H](C=5C(=O)O[C@H](C)[C@H](C5)O)[C@@H](O)C)=O)C
Compound: Janthinolide B
SMILES: O=C/1N(O)[C@H](C(=O)N\C1=C/C2=CC=C(OC/C=C(/CC[C@H](O)C(O)(C)C)\C)C=C2)C
Compound: Arugosin F
SMILES: O=C1C2=C(O[C@@H](C=3C1=C(O)C=C(C)C3)O)C=CC=C2O
Compound: Penochalasin Gs
SMILES: O=C1[C@]23C(=O)NC([C@@H]2[C@H](C)C(=C[C@@H]3C=CC[C@H](C)C=C([C@H](C(CC1)=O)O)C)C)CC=4C5=C(C=CC=C5)NC4
Compound: Asperflosterol
SMILES: O=C1C2=C(C=C[C@]3([C@@]2(CC[C@@H](C3)O)C)O)[C@@]4(O)C[C@H]5[C@@H]([C@]4([C@H]1O)C)[C@@H]([C@H]([C@H](O)[C@@H](C(C)C)C)O5)C
Compound: (2R,3S)-2-[[(2S)-2-[[(2R)-2-[2-[[(4R)-4-[[(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl]amino]-4-carboxybutanoyl]-methylamino]prop-2-enoylamino]propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-methyl-4-oxobutanoic acid
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)CC(C)C)C)C(N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](N)/C=C/C(=C/[C@@H]([C@@H](OC)CC1=CC=CC=C1)C)/C)C)C(=O)O)C)=C
Compound: Ochrazepine D
SMILES: O=C1N[C@H](C2=NC=3C=CC=CC3C(N2C4=C1C=C(O)C(=C4)O[C@H](C=5C(=O)O[C@H](C)[C@H](C5)O)[C@@H](O)C)=O)C
Compound: Lyngbyabellin O
SMILES: ClC(Cl)(CCC[C@H](OC(=O)C=1N=C([C@H](O)CO)SC1)[C@@H](C(=O)O[C@H](C=2SC=C(N2)C(=O)OC)C(O)(C)C)C)C
Compound: [Ile4]lichenysin G15
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)=O)CC(=O)O)=O)[C@H](CC)C)=O)CC(C)C)CCC(=O)N)CCCCCCCCCC(C)C
Compound: (+)-applanatumol C
SMILES: O=C1C2=C(O)C=CC(=C2[C@@]34[C@H](O)CC[C@@]4(C1)C(=O)OC3)O
Compound: Novodaryamide
SMILES: O=C1C(NC(=O)/C=C/C=C/CC(C)C)=CC(O)(CCC(=O)N)C2C1O2
Compound: Nocardimicin B
SMILES: O=C1N(O)CCCCC1NC(=O)C(C(OC(=O)C(NC(=O)C=2N=C(C3=C(O)C=CC=C3)OC2)CCCCN(O)C(=O)C)CCCCCCCCCCC)C
Compound: Lyngbyabellin P
SMILES: ClC(Cl)(CCC[C@H](OC(=O)C=1N=C([C@H](O)COC(=O)C[C@@H](O)[C@@H](NC(=O)CCC)CC(C)C)SC1)[C@@H](C(=O)O[C@H](C=2SC=C(N2)C(=O)OC)C(O)(C)C)C)C
Compound: (S)-methyl-2-acetamido-4-(2-(methylamino)phenyl)-4-oxobutanoate
SMILES: O=C(OC)[C@@H](NC(=O)C)CC(=O)C1=C(NC)C=CC=C1
Compound: Nocarditriene
SMILES: O1[C@H]2C(=NCC[C@@H]12)C(O)(C/C=C/C=C/C(=C/C=C/CC)/C)C
Compound: 3beta-hydroxy-4beta-methylfusida-17(20)(16, 21-cis), 24-diene (3beta-hydroxy-protosta-17(20)(16, 21-cis), 24-diene)
SMILES: O[C@H]1C=C[C@@]2([C@H]3[C@]([C@@]4([C@H](/C(=C(\CCC=C(C)C)/C)/CC4)CC3)C)(C)CC[C@H]2C1(C)C)C
Compound: Verrucosidinol acetate
SMILES: O=C1OC(=C(C)C(=C1C)OC)C(O)([C@@H](OC(=O)C)/C(=C/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)/C)C
Compound: Neoverrucosan-5beta,18-diol
SMILES: O[C@H]1[C@@]2([C@H]([C@@H]3[C@@H]4[C@@](CC[C@H]4C(C)C)(C)CC[C@]3(C1)C)C2)CO
Compound: Chloromonilinic acid D
SMILES: Cl/C(/C=1OC2=C(C(O)=CC(=C2)C)C(C1CC(=O)OC)=O)=C\C(=O)O
Compound: Quinolactacin E
SMILES: O=C1C2=C(N(C)C3=C1C(=O)N[C@H]3CC(C)C)C=CC=C2
Compound: E-975
SMILES: O=C1C(=C(CC(O)CC/C=C/C=C/C(C(O)/C(=C/CC)/C)C)OC1(O)C(O)C)C
Compound: Phocoenamicin
SMILES: ClC1=C(C(=C(O)C=C1)C(=O)O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]([C@H]3O)C)O[C@@H]4[C@H]5C=C[C@H]6[C@@H](C=CC[C@]7([C@]8(C(C(=C([C@]6([C@@H]5[C@@H](C)C[C@H]4C)C)O)C(=O)O8)=O)C[C@@H](C[C@H](O)[C@@](O)(C(=O)C)C)C(=C7)C)C)C)O[C@@H]2C)C
Compound: 4,6-dihydroxy-5-methoxy-7-methylphthalide
SMILES: O=C1OCC=2C1=C(C(O)=C(OC)C2O)C
Compound: AHB-Gentamine-C1a
SMILES: O=C(NC1C(O)C(O)C(OC2OC(CCC2N)CN)C(C1)N)[C@@H](O)CCN
Compound: Chloromonilinic acid C
SMILES: Cl/C(/C=1OC2=C(C(O)=CC(=C2)C)C(C1[C@H](O)C(=O)OC)=O)=C/C(=O)O
Compound: Germicidin O
SMILES: O=C1OC(=C(C)C(=C1C)O)[C@@H]([C@H](O)C)C
Compound: Hebelomic acid E
SMILES: O=C(O[C@H]1[C@H](OC(=O)C)C(C2CCC3=C([C@]2(C1)C)CC[C@]4([C@]3(CC[C@@H]4C5[C@@H](O[C@@H](C(O)(C)C)CC5)O)C)C)(C)C)CC(O)(CC(=O)O)C
Compound: Neaumycin B
SMILES: O=C1O[C@H]2[C@@H]([C@H](O[C@@]3(C2)O[C@@H]([C@@H]([C@@H](OC)[C@@H]4O[C@H]4[C@@H](CCC)C)C)CCC3)C[C@H](O)[C@@H](C=CC=CC=CC[C@H]([C@@H](C[C@@H]([C@@H](C=C[C@@H](C[C@H]([C@@H](C=C1)C)O)OC)C)O)O)OC)C)C
Compound: 15-Hydroxy-1-(2,4,6-trihydroxyphenyl)-5Z,8Z,11Z,13E,17Z-eicosapentaen-1-one
SMILES: O=C(C1=C(O)C=C(O)C=C1O)CCC/C=C\C/C=C\C\C=C/C=C/[C@@H](O)C/C=C\CC
Compound: (+)-tersone E
SMILES: O=C1C(C2=CC=CC=C2)=CNC3=C1[C@H]4[C@@](C=C([C@@H]4C)C)(C)O3
Compound: Syn-12-hydroxypretenellin A
SMILES: O=C1N[C@@H](CC2=CC=C(O)C=C2)C(C1=C(O)/C=C/C(=C/[C@@H]([C@@H](O)C)C)/C)=O
Compound: Dibohemamine F
SMILES: O=C1C(=C(NC(=O)C=C(C)C)N2[C@]1([C@@H]3O[C@@H]3[C@@H]2C)C)CC4=C(N5[C@H]([C@@H](O)C[C@]5(C4=O)C)C)NC(=O)C=C(C)C
Compound: Nahuoic acid A
SMILES: O=C(O)/C(=C/[C@H]1[C@@H](C(=C[C@]2([C@@H]1[C@H]([C@H](O)C[C@H]2O)C)C)C)/C(=C/C[C@H](O)C[C@@H](O)[C@@H]([C@@H](O)C(C)C)C)/C)/C
Compound: Penicilazaphilone B
SMILES: O=C1C=C2C=C(OC[C@@H]2[C@H]([C@]1(O)C)O)/C=C/C(O)(C(O)[C@H](CC)C)C
Compound: N-acetyl-L-leucine-L-serine-L-alanine
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)CO)C
Compound: Tersone F
SMILES: O=C1NC(C(O)C2=CC=CC=C2)C(C1(O)C3(C(=O)C(C)=C(C3)C)C)=O
Compound: TAN-1511 B
SMILES: S(CC(NC(=O)CCCCCCCCCCCC)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)C(O)C)C)CC(=O)O)CC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: Dibohemamine D
SMILES: O=C1C(=C(NC(=O)C=C(C)C)N2[C@]1([C@H](O)C[C@@H]2C)C)CC3=C(N4[C@H]([C@@H]5[C@H]([C@]4(C3=O)C)O5)C)NC(=O)C=C(C)C
Compound: Malolactomycin B
SMILES: O=C1OC(C(C=CC=CC(O)C(C(O)CC(O)CC(OC(=O)CC(=O)O)CC(O)CC2OC(CC(C(CCC(C(C(CC(C(C(CC=C(C(C1C)O)C)O)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(C/C(=C/CCCCCNC(=NC)NC)/C)C
Compound: Dhilirolide H
SMILES: O=C1OC(C2=CC[C@]3([C@@H](C(=C2[C@H]1O)C)C[C@]4(C(=O)[C@@H]([C@@]3(C4=C)C(=O)OC)OC(=O)C)C)C)(C)C
Compound: 1-acetyl-2-isobutyrylpyrazolidine-4-carboxylic acid
SMILES: O=C(O)[C@@H]1CN(C(=O)C(C)C)N(C1)C(=O)C
Compound: Tersone G
SMILES: O=C1NC=C(C2=CC=CC=C2)C3=C1C=C(C)O3
Compound: 9'-deoxy-8',8'-dihydroxyherbicidin B
SMILES: O=C(OC)[C@H]1O[C@H]2[C@](O[C@@H]3[C@@H](OC)[C@@H](O[C@@H]3C2)N4C5=NC=NC(=C5N=C4)N)(O)C(C1)(O)O
Compound: Dibohemamine E
SMILES: O=C1C(=C(NC(=O)C=C(C)C)N2[C@]1([C@@H]3O[C@@H]3[C@@H]2C)C)C(C4=C(N5[C@H]([C@@H]6[C@H]([C@]5(C4=O)C)O6)C)NC(=O)C=C(C)C)C
Compound: 1-hydroxymethyl-8-hydroxy-anthraquinone-3-carboxylic acid
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=CC(=C3)C(=O)O)CO
Compound: Trisorbicillinone A
SMILES: O=C1C(=C(O)[C@@]2([C@@H]3/C(/C(O)=C(C([C@@]3(O[C@@]2([C@@]1(O)C)O)C)=O)C)=C(/O)\C=C\C=C\C)C)C(=O)[C@@H]4[C@@H]5/C(/C(=O)[C@@]([C@H]4/C=C/C)(C)C([C@@]5(O)C)=O)=C(/O)\C=C\C=C\C
Compound: (-)-tersone A
SMILES: O=C1NC=C(C2=CC=C(O)C=C2)C3=C1[C@H]4[C@@](C=C([C@@H]4C)C)(C)O3
Compound: 6-O-methyl-7-chloroaverythrin
SMILES: ClC1=C(O)C=2C(=O)C3=C(O)C(=C(O)C=C3C(C2C=C1OC)=O)/C=C/CCCC
Compound: Hermitamide B
SMILES: O=C(NCCC=1C2=C(C=CC=C2)NC1)CC/C=C/C[C@@H](OC)CCCCCCC
Compound: Norpsilocin
SMILES: OC1=C2C(NC=C2CCNC)=CC=C1
Compound: 5-hydroxymethyl-2-hydroxy-4-methoxyphenylethanone
SMILES: O=C(C1=C(O)C=C(OC)C(=C1)CO)C
Compound: Phaeochromycin I
SMILES: O=C1C2=C(OC(=C1)C)C=CC=C2CC(=O)C[C@@H](O)CC(=O)O
Compound: Hebelophyllene D
SMILES: O=C1[C@]2([C@@](O)([C@H](C)[C@@H](C1)O)[C@@H](O)[C@H]3[C@@H]2CC3(C)C)C
Compound: (+)-tersone A
SMILES: O=C1NC=C(C2=CC=C(O)C=C2)C3=C1[C@@H]4[C@](C=C([C@H]4C)C)(C)O3
Compound: Deoxysporothric acid
SMILES: O=C1O[C@H](CCCCCC)C[C@@H]1C(C(=O)O)=C
Compound: 10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one
SMILES: O=C1C2=C(O)C=3C(=C(OC)C=C(C3)OC)C(=C2COC1C)O[C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO
Compound: Aspergixanthone A
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4OC(=O)C)C(=C)C)C(=C3)C)C(=CC=C2O)[C@@H](OC)[C@@H](O)C(O)(C)C
Compound: 7-Isopropenylbicyclo[4.2.0]octa-1,3,5-triene-2,5-diol
SMILES: OC1=C2C(=C(O)C=C1)C[C@H]2C(=C)C
Compound: (+)-tersone B
SMILES: O=C1NC=C(C2=CC=CC=C2)C3=C1[C@@H]4[C@](C=C([C@H]4C)CO)(C)O3
Compound: Daldinone C
SMILES: O=C1C2=C(O)C=CC=C2[C@]3(O)C=4C=CC(=C5C4[C@H]([C@@H]3C1)CCC5=O)O
Compound: Sporochartine A
SMILES: O=C1O[C@H]2[C@H](OC([C@H]2[C@]13[C@@H](C=CCC3)/C=C/[C@@H]4O[C@H](C)C[C@@H]4O)=O)CCCCCC
Compound: Stephacidin B
SMILES: O=C1N2C3(C(=O)NC14[C@H](C(C5=[N+]([O-])C6=C([C@]75[C@@H]4N8C(=O)[C@]9%10N(CCC9)C([C@]8%11[C@H](C(C)(C)C%12=C([C@H]7%11)C%13=C(C%14=C(OC(C)(C)C=C%14)C=C%13)N%12O)C%10)=O)C=CC%15=C6C=CC(O%15)(C)C)(C)C)C3)CCC2
Compound: Aspergixanthone B
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)[C@@H](OC)[C@@H](O)C(O)(C)C
Compound: Basiliskamide B
SMILES: O=C(O[C@@H]([C@H]([C@@H](O)[C@@H](CC)C)C)C/C=C/C=C\C(=O)N)/C=C/C1=CC=CC=C1
Compound: (-)-tersone C
SMILES: O=C1NC=C(C2=CC=CC=C2)C3=C1[C@H]4[C@@](C=C([C@@H]4C)C)(CO)O3
Compound: Bacilotetrin A
SMILES: O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1CCC(=O)O)=O)CC(C)C)=O)CC(C)C)CC(C)C)CCCCCCCC(CC)C
Compound: Squalestatin S5
SMILES: O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CC/C(=C/C(CC3=CC=CC=C3)C)/C)C(=O)O)/C=C/[C@H](C[C@H](CC)C)C
Compound: Saprolmycin E
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(=O)C=C5)C)(C)C4)O)[C@@H]6O[C@@H]([C@@H](OC7O[C@H]([C@@H](O[C@@H]8O[C@H](C(=O)C=C8)C)CC7)C)[C@@H](C6)O)C
Compound: Aspergixanthone C
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4OC(=O)C)C(=C)C)C(=C3)C)C(=CC=C2O)[C@@H](O)[C@@H](O)C(O)(C)C
Compound: Bacilotetrin B
SMILES: O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1CCC(=O)O)=O)CC(C)C)=O)CC(C)C)CC(C)C)CCCCCC(CC(CC)C)C
Compound: RIT-D-2214
SMILES: S1C(C(C(=O)O)N2C1C(NC(=O)CSCC(N)C(=O)O)C2=O)(C)C
Compound: Antimycin A16
SMILES: O=C1O[C@H]([C@H](OC(=O)CCC(CC)C)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Cephalosporolide F
SMILES: O=C1O[C@H]2C[C@@]3(O[C@H](C)CC3)O[C@H]2C1
Compound: (+)-tersone C
SMILES: O=C1NC=C(C2=CC=CC=C2)C3=C1[C@@H]4[C@](C=C([C@H]4C)C)(CO)O3
Compound: 5-Methoxy-3-hydroxyanthranilate
SMILES: COc1cc(O)c(N)c(c1)C(O)=O
Compound: Aspergixanthone D
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)[C@@H](O)[C@@H](O)C(O)(C)C
Compound: Phomopside A
SMILES: O=C1OCC=2C1=C(O)C(OC3=C(C(O)=CC(=C3)C)CO)=C(O)C2C
Compound: (+)-tersone D
SMILES: O=C1NC=C(C2=CC=CC=C2)C3=C1C=C(C)[C@H](O3)/C(=C/C)/C
Compound: Shengjimycin B2beta
SMILES: O=C1OC(CC=CC=CC(OC2OC(C(N(C)C)CC2)C)C(CC(C(C(C(C1)OC(=O)C)OC)OC3OC(C(OC4OC(C(OC(=O)C(C)C)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: Deinococcucin A
SMILES: O=C(NCCCCCCCCCCCCCCCC)[C@H](O)CO[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1NC(=O)C)O)CO
Compound: Nocarimidazole B
SMILES: O=C(C=1NC=NC1N)CCCCCC[C@@H](CC)C
Compound: Aspergixanthone E
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4OC(=O)C)C(=C)C)C(=C3)C)C(=CC=C2O)[C@@H](OC)[C@@H](OC(=O)C)C(O)(C)C
Compound: F-19848 A
SMILES: O=C(O)C(O)CCCCCCCCCCCCCC(OC1OCC(O)C(C1OC2OCC(OC(=O)C)C(C2OC3OC(C(O)C(C3O)O)COC(=O)C)O)O)CCCC(O)CCCCCC
Compound: (-)-tersone D
SMILES: O=C1NC=C(C2=CC=CC=C2)C3=C1C=C(C)[C@@H](O3)/C(=C/C)/C
Compound: Deinococcucin B
SMILES: O=C(NCCCCCCCCCCCCCCCCC)[C@H](O)CO[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1NC(=O)C)O)CO
Compound: Micaceol
SMILES: O[C@@H]1C(C2=CC[C@H]3[C@H]4[C@]([C@@H]([C@@H](CCCC(C)C)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC1)=C
Compound: Aspergixanthone F
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)[C@@H](OC)[C@@H](OC(=O)C)C(O)(C)C
Compound: Arugosin J
SMILES: O=C1C2=C(O[C@@H](C3=C1C=C(O)C=C3OC)OC)C=C(C)C=C2O
Compound: Marilone A
SMILES: O=C1O[C@@H](C)C=2C1=C(OC)C(=C(OC/C=C(/CCC=C(C)C)\C)C2)C
Compound: (-)-tersone E
SMILES: O=C1C(C2=CC=CC=C2)=CNC3=C1[C@@H]4[C@](C=C([C@H]4C)C)(C)O3
Compound: Deinococcucin C
SMILES: O=C(NCCCCCCCC/C=C\CCCCCC)[C@H](O)CO[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1NC(=O)C)O)CO
Compound: Aspergixanthone G
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4OC(=O)C)C(=C)C)C(=C3)C)C(=CC=C2O)[C@@H](O)[C@@H](O)C(=C)C
Compound: 4-O-methylconhypoprotocetraric acid
SMILES: O=C1OC2=C(C(=C(C(=O)O)C(=C2CO)O)C)OC3=C1C(=CC(=C3C)OC)C
Compound: Squalestatin U2
SMILES: O=C(O)[C@@]1(O)[C@@]2(O[C@](CCC(=C)[C@@H](O)[C@@H](CC3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CC(O)C(CC(CC)C)C)O)C(=O)O
Compound: (-)-tersone B
SMILES: O=C1NC=C(C2=CC=CC=C2)C3=C1[C@H]4[C@@](C=C([C@@H]4C)CO)(C)O3
Compound: Hueafuranoid A
SMILES: O=C(C=C(C)C)CC(O)([C@H]1O[C@](/C=C/CC(O)(C=C)C)(C)CC1)C
Compound: Deinococcucin D
SMILES: O=C(NCCCCCCCC/C=C\CCCCCCC)[C@H](O)CO[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1NC(=O)C)O)CO
Compound: Aspergixanthone H
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)[C@@H](O)[C@@H](O)C(=C)C
Compound: 5-hydroxy-6,7-bis(hydroxymethyl)-2-methoxynaphthalene-1,4-dione
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C(CO)C(=C2O)CO
Compound: Acarogobien B
SMILES: BrC1=C(OCC=C(C)C)C(=C2OC(=O)C3=C(OC2=C1/C(=C/C)/C)C(=C(OC)C(=C3/C(=C/C)/C)Br)C=O)C
Compound: 3,4-dihydroxy-2-methyl-7-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILES: O=C1OC(=CC2=C1C(O)C(O)C(O2)C)CCC
Compound: SCH 38518
SMILES: O=C1NCCCC(C(O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)N)C)CCC(CCCC1CC)CC)CC
Compound: Chetracin E
SMILES: S1S[C@@]2(N(C)C([C@]3(S1)N([C@H]4NC=5C=CC=CC5[C@]4([C@@H]3O)C67C8=C(C=CC=C8)N[C@@H]6N9C(=O)[C@@]%10(SSS[C@@]9([C@H]7O)C(=O)N%10C)C)C2=O)=O)CO
Compound: Libertalide G
SMILES: O=C1O[C@]2([C@]([C@@H]3[C@H](C[C@@](O)(C)CC3)[C@H]4[C@@H]2O4)(C)CC1)C
Compound: Hirsutellic acid A
SMILES: O=C(O)C1=C(NC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](N)[C@@H](CC)C)C)CC2=CC=CC=C2)CC(C)C)C=CC=C1
Compound: Astraeusin I
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H]5O[C@H](OC)C(C)=CC5)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: (3R)-7-hydroxy-3-(3-hydroxypropyl)-8-methoxy-3,4-dihydroisochromen-1-one
SMILES: O=C1O[C@@H](CC=2C1=C(OC)C(O)=CC2)CCCO
Compound: Chetracin F
SMILES: S1SS[C@@]23N([C@H]4NC=5C=CC=CC5C4([C@@H]2O)[C@@]67C8=C(C=CC=C8)N[C@@H]6N9C(=O)[C@@]%10(SSS[C@@]9([C@H]7O)C(=O)N%10C)CO)C([C@](S1)(N(C)C3=O)CO)=O
Compound: 2-(2-(4,4-dimethyl-1-cyclopentenyl)-propyl)-3-formyl-2-buten-4-olide
SMILES: O=C1OCC(=C1C[C@H](C2=CCC(C2)(C)C)C)C=O
Compound: Libertalide H
SMILES: O=C1O[C@]2([C@]([C@@H]3[C@](O)(C[C@@](O)(C)CC3)[C@H]4[C@@H]2O4)(C)CC1)C
Compound: Penicillolide
SMILES: O=C1O[C@@H]2C3=C(O)C(O)=C(OC)C=C3CO[C@]4([C@@H]1C=5C(=C(C)OC5)C4=O)C2
Compound: 3',4'-syn-prepyridomacrolidin B
SMILES: O=C1OC(CCC(=O)C[C@H]([C@H](C1)O)ON2C(=O)C(=C(O)C(=C2)C3=CC=C(O)C=C3)C(=O)/C=C/C(=C/[C@H](CO)CC)/C)C
Compound: 3-[(3R)-8-hydroxy-7-methoxy-1-oxo-3,4-dihydroisochromen-3-yl]propanoic acid
SMILES: O=C1O[C@@H](CC=2C1=C(O)C(OC)=CC2)CCC(=O)O
Compound: Ferintoic acid B
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)C(CC)C)=O)NC(=O)NC(C(=O)O)CC=3C4=C(C=CC=C4)NC3)CC5=CC=CC=C5)C)C
Compound: Penicilazaphilone D
SMILES: ClC=1C(=O)[C@](O)([C@H](O)[C@H]2C1C=C(OC2)/C=C/C(=O)C)C
Compound: Libertalide I
SMILES: Cl[C@@H]1[C@@H](O)[C@@](O)([C@@](C(=O)CCO)(C)[C@@H]2[C@@H]1C[C@@H](C)CC2)C
Compound: 2-methyl-11,11′-O-dimethylelaiophylin
SMILES: O=C1O[C@@H]([C@H](C=CC=CC(=O)O[C@@H]([C@H](C=CC=C1C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](CC)[C@@H](C2)O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)O)C)C)OC)C)C)C)[C@H]([C@@H](O)[C@@H]([C@@]4(O[C@@H]([C@@H](CC)[C@@H](C4)O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)O)C)C)OC)C)C
Compound: Hydroxysulochrin
SMILES: O=C(OC)C1=C(C(OC)=CC(=C1)O)C(=O)C2=C(O)C=C(CO)C=C2O
Compound: (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
SMILES: O=C1OC(=CC2=C1C(=O)[C@@H](O)[C@@H](O2)C)CCC
Compound: Bacillcoumacin C
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H]2NC(=O)CC2)CC(C)C)CC=3C1=C(O)C=CC3
Compound: Peniciazaphilone E
SMILES: ClC=1C(=O)[C@](O)([C@H](O)[C@H]2C1C=C(OC2)/C=C/[C@@](O)([C@@H]3OCC[C@@H]3C)C)C
Compound: Libertalide J
SMILES: Cl[C@@H]1[C@@H](O)[C@@](O)([C@@](C(=O)CCOC(=O)C)(C)[C@@H]2[C@@H]1C[C@@H](C)CC2)C
Compound: Orirubenone G
SMILES: O=C1O[C@](CC(=O)C2=C(O)C=CC(=C2)O)(C)CC1
Compound: 4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILES: O=C1OC(=CC2=C1C(O)CC(O2)C)/C=C/C
Compound: 6-formylsalicylic acid
SMILES: O=C(O)C1=C(O)C=CC=C1C=O
Compound: 8''R,9''-diol versicolactone B
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)C[C@@H](O)C(O)(C)C)C(=C1O)C3=CC=CC=C3
Compound: Stearyl-velutinal
SMILES: O=C(O[C@@H]1OCC23C14[C@@]([C@@H]5CC(C)(C)C[C@@H]5[C@H]2O3)(C)C4)CCCCCCCCCCCCCCCCC
Compound: Libertalide K
SMILES: Cl[C@@H]1[C@@H](O)[C@@](O)([C@@](C(=O)C)(C)[C@@H]2[C@@H]1C[C@@H](C)CC2)C
Compound: 12beta-acetoxy-7beta-hydroxy-3,11,15,23-tetraoxo-5alpha-lanosta-8,20-dien-26-oic acid ethyl ester
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3([C@@H]1OC(=O)C)C)C(=CC(=O)CC(C(=O)OCC)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: 7-hydroxy-3-methoxy-2-oxo-2h-chromene-6-carboxylic acid
SMILES: O=C1OC2=C(C=C(C(=O)O)C(=C2)O)C=C1OC
Compound: Alternaramide
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)N3CCC[C@H]3C(O[C@H](C(N[C@@H]1CC4=CC=CC=C4)=O)C(C)C)=O)CC5=CC=CC=C5)CCC2
Compound: 8''S,9''-diol versicolactone B
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)C[C@H](O)C(O)(C)C)C(=C1O)C3=CC=CC=C3
Compound: 3,8-Dihydroxyfuran
SMILES: O1C=C2[C@](O)(CC3CC(CC3[C@@H](C2=C1)O)(C)C)C
Compound: Libertalide L
SMILES: O=C([C@]1(C(=C[C@H](O)[C@@H]2[C@@H]1CC[C@](C2)(O)C)C)C)C
Compound: Violapyrone I
SMILES: O=C1OC(=CC(=C1C)O)CCCCCCC
Compound: Peniquinone A
SMILES: O=C1C(OC)=CC(=O)C(=C1C)C2=C(O)C=C(OC)C(=C2C)OC
Compound: Rasfonin
SMILES: O=C1O[C@@H]([C@H](OC(=O)/C=C/C(=C/[C@@H](CO)CCO)/C)C=C1)[C@H](C[C@H](C/C(=C/C)/C)C)C
Compound: 3'-isoamylene butyrolactone IV
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC3=C(OC(C3)C(O)(C)C)C=C2)C(=C1O)C4=CC(=C(O)C=C4)CC=C(C)C
Compound: Cladosporol
SMILES: O=C1C2=C(C(O)=CC=C2[C@@H]3C4=C(C(O)=CC=C4)C(=O)CC3)[C@@H](O)[C@@H]5[C@H]1O5
Compound: Libertalide M
SMILES: O=C([C@]1([C@](O)([C@H](O)C=C2[C@@H]1CC[C@@H](C2)C)C)C)CCO
Compound: 4-Methoxymethyl-2-methylindole
SMILES: O(CC1=C2C(NC(=C2)C)=CC=C1)C
Compound: Peniquinone B
SMILES: O=C1C(OC)=CC(=O)C(=C1C)C2=C(O)C=C(O)C=C2C
Compound: Emeremophiline
SMILES: O=C1C=C2C=CC(OC(=O)/C=C/C(=C/C(CC)C)/C)C(C2(C)CC1(O)C(=C)COC(=O)C)C
Compound: 4'-dehydroxy aspernolide A
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC3=C(OC(C)(C)CC3)C=C2)C(=C1O)C4=CC=CC=C4
Compound: Libertalide N
SMILES: O=C1C(=CC=O)CO[C@@H]2[C@]([C@]1([C@@H]3[C@H](C[C@@H](C)CC3)C2)C)(O)C
Compound: Simplicilliumtide A
SMILES: O=C(O)C1=C(NC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](N)C(C)C)C)CC2=CC=CC=C2)CC(C)C)C=CC=C1
Compound: Indotertine B
SMILES: O=C1N([C@H](C(=O)N[C@H]1C[C@@]23C4=C(C=CC=C4)N([C@@H]2C=C5CC[C@@H]6[C@@]([C@H]5C3)(CCCC6(C)C)C)C=O)C(C)C)C
Compound: (2E,4S,6S,10S,13R,14S,15S)-4,10-dihydroxy-3,11,11,13,15-pentamethyl-6-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,17-dioxabicyclo[12.2.1]heptadec-2-ene-8,12-dione
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@H](C)[C@H]3OC(C=C([C@H](C2)O)C)C[C@@H]3C)(C)C)\C)C
Compound: Penizofuran A
SMILES: O1C2=C(C(=C(O)C(=C2)OC)C)C3=C1C=C(OC)C(=C3)OC
Compound: Butyrolactone IV
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC3=C(OC(C)(C)C(C3)O)C=C2)C(=C1O)C4=CC=C(O)C=C4
Compound: Speciosin K
SMILES: O=C1C(=C(C=CC(O)(C)C)[C@@H](O)CC1)CC=C(C)C
Compound: Libertalide A
SMILES: O=C([C@]1([C@](O)(C=C[C@@H]2[C@@H]1CC[C@](C2)(O)C)C)C)CCOC(=O)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: De-N-methylpamamycin-593B
SMILES: O=C1O[C@H](C[C@H]2O[C@@H]([C@@H](C(=O)O[C@H](C[C@H]3O[C@@H]([C@H]1CC)CC3)[C@@H]([C@@H]4O[C@H](C[C@H](NC)CCC)CC4)C)C)CC2)CCC
Compound: Hypoxylan C
SMILES: O(C1=C(C(=C)CO)C=C2[C@H](CCCC2=C1)C)C
Compound: Libertalide B
SMILES: O=C(O)[C@]1([C@](O)(C=C[C@@H]2[C@@H]1CC[C@@H](C2)C)C)C
Compound: 4',8''-diacetoxy butyrolactone VI
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC3=C(OC(C)(C)C(C3)OC(=O)C)C=C2)C(=C1O)C4=CC=C(OC(=O)C)C=C4
Compound: Mycousfuran A
SMILES: O=C1C=C(OC)C[C@]2([C@@]1(C3=C(O)C(=C(O)C(=C3O2)C(=O)C)C)C)OC
Compound: Reutericyclin
SMILES: O=C1N(C(=O)/C=C/CCCCCCC)[C@H](CC(C)C)C(=C1C(=O)C)O
Compound: 2,3,4-triacetamido-2,3,4-trideoxy-L-arabinose
SMILES: O=C(N)[C@H]1OC(O)[C@H](NC(=O)C)[C@H]([C@@H]1O[C@H]2OC[C@H](NC(=O)C)[C@@H]([C@H]2NC(=O)C)NC(=O)C)NC(=O)C
Compound: Ustusorane A
SMILES: O=C1C(OC2=C1C=CC(=C2CO)C[C@@H](O)C)=C(C)C
Compound: Libertalide C
SMILES: O=C([C@]1([C@](O)(C=C[C@@H]2[C@@H]1CC[C@](C2)(O)C)C)C)C
Compound: Mycousfuran B
SMILES: O=C1C=C(OC)C[C@]2([C@@]1(C3=C(O)C(=C(O)C(=C3O2)C)C(=O)C)C)OC
Compound: Elaiomycin G
SMILES: O=C(CCCCCC/[N+](/[O-])=N/[C@H]([C@@H](O)C)COC)C
Compound: Harzianumnone A
SMILES: O=C1C2=C(O)C=C(C)C=C2[C@@H](O)[C@@H]3[C@@H]1[C@@H](O)[C@H](O)C=C3
Compound: 9-prenylpaxilline
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC(=CC6C5C[C@@H]4CC3)CC=C(C)C)C)(CC[C@@H]2O[C@@H]1C(O)(C)C)C
Compound: Trichovirin II 2b
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)(C)C)CC(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)CNC(=O)C(NC(=O)C)(C)C)C)CC(C)C)(C)C)CCC(=O)N)(C)C)C(C)C)(C)C)(C)C)(C)C
Compound: Libertalide D
SMILES: O=C1O[C@@]2(C=C[C@H]3C[C@@](O)(C)CC[C@@H]3[C@@]2(C)CC1)C
Compound: Bartanolide
SMILES: O=C1O[C@@H](C[C@@H](OC(=O)/C=C/C)C(=O)C[C@H](CC1)O)C
Compound: 10,11-dihydrobislongiquinolide
SMILES: O=C1[C@@](O)(C2C(C(=O)CC/C=C/C)=C([C@]1(C(C(=O)/C=C/C=C/C)[C@H]2[C@@]3(OC(=O)C(=C3O)C)C)C)O)C
Compound: Asukamycin B-II
SMILES: O=C1C(NC(=O)/C=C/C=C/C=C/C(C)C)=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H](C1)O
Compound: Harzianumnone B
SMILES: O=C1C2=C(O)C=C(C)C=C2[C@H](O)[C@@H]3[C@@H]1[C@@H](O)[C@H](O)C=C3
Compound: Tremuladienol
SMILES: OC[C@@H]1C(C2=CC(C)(C)C[C@H]2[C@H](CC1)C)=C
Compound: Libertalide E
SMILES: O=C1O[C@@]2(C=C[C@H]3C[C@@](O)(C)CC[C@@H]3[C@@]2(C)[C@H](C1)O)C
Compound: Pharacine
SMILES: O=C1OCCCCOC(=O)C2=CC=C(C(=O)OCCCCOC(C3=CC=C1C=C3)=O)C=C2
Compound: 5-methoxy-N,N-dimethyltryptamine
SMILES: COc1ccc2[nH]cc(CCN(C)C)c2c1
Compound: 10,11,16,17-tetrahydrobislongiquinolide
SMILES: O=C1[C@@](O)(C2C(C(=O)CCC=CC)=C([C@]1(C(C(=O)CCC=CC)[C@H]2[C@@]3(OC(=O)C(=C3O)C)C)C)O)C
Compound: Versiquinazoline L
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H]4N5[C@@H]6N(C([C@H]5C)=O)C7=C([C@]6(C[C@H]2C(=O)N4)O)C=CC=C7
Compound: Gombapyrone D
SMILES: O=C1OC(=C(C)C(=C1C)OC)C/C=C(/C=C\C=C/C2=C(C=C(C)C=C2)CC=C)\C
Compound: Amonabactin P 750
SMILES: O=C(NCC(=O)NCCCC[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC1=CC=CC=C1)CCCCNC(=O)C2=C(O)C(O)=CC=C2)C3=C(O)C(O)=CC=C3
Compound: Libertalide F
SMILES: O1[C@]2(C=C[C@H]3C[C@@](O)(C)CC[C@@H]3[C@]2([C@@H](O)CC1)C)C
Compound: Bromomonamycin 2
SMILES: BrC1CNN2C(=O)[C@@H](OC(=O)[C@H](NC(=O)[C@@H]3C[C@H](CN3C([C@H](N(C([C@H]4N(C([C@H]2C1)=O)NC[C@@H](O)C4)=O)C)CC(C)C)=O)C)C(C)C)C(CC)C
Compound: Versiquinazoline M
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H]4N5[C@@H]6N(C([C@@H]5CO)=O)C7=C([C@]6(C[C@H]2C(=O)N4)O)C=CC=C7
Compound: Concavine
SMILES: O1C(C[C@H]2[C@]34[C@@H]([C@H](C(=C)[C@H](C3)CC4)CC=C(C)C)CN2CC1)(C)C
Compound: Primarolide A
SMILES: O=C1O[C@H](C2=C3OC(C=CC3=CC=C2O)(C)C)C=4C1=C(O)C(OC)=C(C)C4
Compound: 7-Hydroxy-5-methoxy-4,6-dimethyl-7-O-(4-O-methyl-beta-glucopyranosyl)-phthalide
SMILES: O=C1OCC=2C1=C(O[C@@H]3O[C@@H]([C@@H](OC)[C@@H]([C@H]3O)O)CO)C(=C(OC)C2C)C
Compound: Nicrophorusamide A
SMILES: ClC1=CC2=C(NC=C2C[C@@H]3NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](CC)C)NC([C@H](NC([C@H](NC3=O)C(C)C)=O)CC(C)C)=O)CCCN)[C@@H](O)C(=O)N)C=C1
Compound: Porfiromycin
SMILES: O=C1C(=C(N)C(=O)C2=C1N3[C@](OC)([C@H]4N(C)[C@H]4C3)[C@@H]2COC(=O)N)C
Compound: Versiquinazoline N
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@]4(O[C@]5(C[C@@H]2C(=O)N4)C6=C(C=CC=C6)N7[C@H]5N[C@@H](C(CC)C)C7=O)C
Compound: Primarolide B
SMILES: O=C1N(C2=CC=CC=C2)[C@H](C3=C4OC(C=CC4=CC=C3O)(C)C)C=5C1=C(O)C(OC)=C(C)C5
Compound: (4S,5R,5aR)-1,4-dihydroxy-5,7,7-trimethyl-1,4,5,5a,6,8-hexahydroazuleno[5,6-c]uran-3-one
SMILES: O=C1OC(O)C2=C1[C@@H](O)[C@@H]([C@H]3CC(CC3=C2)(C)C)C
Compound: Flavodonfuran
SMILES: O1C(=CC=C1CCCCC)CC=2OC(CCCCC)=CC2
Compound: Nicrophorusamide B
SMILES: ClC1=CC2=C(NC=C2C[C@@H]3NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](CC)C)NC([C@H](NC([C@H](NC3=O)C(C)C)=O)CC(C)C)=O)CCCN)CC(=O)N)C=C1
Compound: Agonodepside B
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1)/C(=C/C)/C)C)C2=C(O)C(=C(O)C=C2/C(=C/C)/C)C
Compound: Versiquinazoline O
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@H](NC([C@H]2C[C@@]4(O)C5=C(C=CC=C5)N6[C@H]4N[C@@H](C(CC)C)C6=O)=O)C
Compound: Penicilactone A
SMILES: O=C1O/C(=C\[C@H](O)[C@@H](O)C)/C=C1CCC
Compound: Trichodermic acid A
SMILES: O=C(O)/C(=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)C[C@@H](CO)[C@@H]([C@H]2C)O)/C
Compound: Decarboxycitrinone
SMILES: O=C1OC(=C(C)C2=C1C(O)=CC(=C2C)O)C