MonarchInit/C3PO huggingface dataset:
Compound: 13-O-(beta-galactosyl)-porphyra-334
SMILES: O=C(O)[C@@H](NC1=C(OC)C(=NCC(=O)O)C[C@@](C1)(O)CO)[C@H](O[C@@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O)O)CO)C
Compound: Prolipyrone A
SMILES: O=C1OC(=CC(=C1C)O)[C@@H](CCCC)C
Compound: Curvicollide B
SMILES: O=C1O[C@H](/C(=C/C=C/C(CCC(O)C)C)/C)[C@H]([C@@H]1/C=C(/C=C/C(O)C(C(=O)C)C)\C)C
Compound: Aspersclerotiorone E
SMILES: O=C1[C@@]2(O[C@H]([C@H]1C)OC3=C2C(=C(O)C(=C3)OC)C)C
Compound: Aspersclerotiorone F
SMILES: O=C1O[C@]2(OC3=C(C(=C(O)C(=C3)OC)C)C[C@@H]2C)C(=C1)OC
Compound: 6′-O-desmethyl ES-242-2
SMILES: O=C(O[C@H]1C2=C(C=3C=4C(C(O)=C5C3[C@H](OC(=O)C)[C@H](C)OC5)=C(OC)C=C(C4)O)C=6C(=C(OC)C=C(C6)OC)C(=C2CO[C@H]1C)O)C
Compound: Deflectin D2
SMILES: O=C1C=C2C(=COC(=C2)C)[C@@H]3[C@]1(OC(=O)[C@H]3C(=O)[C@H](CCCCCCCCCC)C)C
Compound: Cyanopeptolin 1034
SMILES: O=C1OC(C(NC(=O)C(NC(=O)CCCCCCC)CCC(=O)O)C(=O)NC(C(=O)NC2CCC(N(C(C(N(C(C(NC1C(CC)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCCCN)C
Compound: Neocitreamicin II
SMILES: O=C1N2C(OC(C2(COC(=O)C(CC(C)C)C)C)=O)(CC=3C1=C(O)C4=C5C(=O)C6=C(OC=7C=CC(=CC7C6=O)O[C@@H]8O[C@@H]([C@H](OC(=O)C)[C@@H](C8)O)C)C(C5=CC=C4C3)=O)C
Compound: 5-(hydroxymethyl)benzene-1,3-diol
SMILES: OC1=CC(O)=CC(=C1)CO
Compound: Spiroxin C
SMILES: O=C1C2=C(O)C=CC3=C2[C@@]4(OC=5C=CC=C6C5[C@@]3([C@@H]7O[C@@H]7C6=O)O4)[C@H]8[C@@H]1O8
Compound: Aspersclerotiorone G
SMILES: O=C1O[C@@](O)(C(OC)=C)C(=C1)C
Compound: Boydene B
SMILES: O=C1[C@@H](OC)[C@@](O)(C(=C)CC1)[C@]2(O[C@@H]2CC=C(C)C)C
Compound: Deflectin E
SMILES: O=C1C=C2C(=COC(=C2)C)[C@@H]3[C@]1(OC(=O)[C@H]3C(=O)/C(=C/CCCCCCC)/C)C
Compound: Cyanopeptolin 1063
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CCC(=O)N)C(=O)NC(C(=O)NC2CCC(N(C(C(N(C(C(NC1C(CC)C)=O)CC3=CC=C(O)C=C3)C)=O)C(CC)C)C2=O)O)CC4=CC=C(O)C=C4)C
Compound: 7,10-dihydroxydeacetyldihydrobotrydial-1(10)-ene
SMILES: O1[C@H](OC)C2=C3[C@@H]([C@@H](O)C[C@H]2C)C([C@H]([C@@]3(C1)C)O)(C)C
Compound: <L-MeSer7>Microcystin-LR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)NC(C(=O)O)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N([C@H]1CO)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CC(C)C)C
Compound: Fendlerinine E
SMILES: O=C1N(C(C(=O)O)CC(C)C)CC=2C1=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C(=C(OC)C2C(=O)O)C
Compound: Lunatinin E
SMILES: O=C1OC(=CC(=C1C)O)C[C@@H](O)CC(=O)C
Compound: 2-[(1R,3R)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
SMILES: O=C1C(NC)=CC(=O)C2=C1C=C3C[C@H](CC(=O)O)O[C@@H](C3=C2O)CCC(C)C
Compound: (10E)-18-benzyl-8-hydroxy-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icos-10-ene-3,7,20-trione
SMILES: O=C1C(O)(CC=CC2C3(C(=O)NC(C3C(C)C4(C2O4)C)CC5=CC=CC=C5)OC(CCC1C)=O)C
Compound: Cyanopeptolin 1006D
SMILES: O=C1OC(C(NC(=O)C(NC(=O)CCCCC)CCC(=O)O)C(=O)NC(C(=O)NC2CCC(N(C(C(N(C(C(NC1C(CC)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCCCN)C
Compound: Alternarian acid
SMILES: O=C1OC(C(=O)O)=CC(=C1C2=C(C(O)=CC(=C2)OC)C(=O)O)C
Compound: Fendlerinine F
SMILES: O=C1N(C(C(=O)O)CCC(=O)O)CC=2C1=C(C(OC)=C(C)C2OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C(=O)O
Compound: Lunatoic acid D
SMILES: O=C1C=C2C=C(OC[C@]2(O)C([C@@]1(OC(=O)[C@H](C[C@H](CC)C)C)C)=O)C=CC(=O)O
Compound: 3'-O-methylsteffimycin
SMILES: O=C1C2=C(O)C3=C(C(=O)C(O)(C)C(C3O[C@@H]4O[C@H]([C@H](OC)[C@H]([C@H]4OC)O)C)OC)C=C2C(=O)C=5C1=C(O)C=C(OC)C5
Compound: Polyporoid B
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@@H]([C@@](O)([C@H](O)[C@@H]4OC[C@H]([C@@H]4C)C)C)CC3)(CC[C@@H]2[C@@]5([C@H]1C[C@@H](O)[C@H](C5)O)C)C
Compound: Cyanopeptolin 1000A
SMILES: O=C1OC(C(NC(=O)C(NC(=O)CCCCCCC)CCC(=O)O)C(=O)NC(C(=O)NC2CCC(N(C(C(N(C(C(NC1C(CC)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C2=O)O)CCCCN)C
Compound: Fasciculol I
SMILES: O=C1[C@]2([C@](C=3CCC4[C@@](C3C1)(C[C@@H](O)[C@@H](C4(C)C)O)C)(CC[C@@H]2[C@H](CO)CC[C@@H](O)C(O)(C)C)C)C
Compound: Fendleryl A
SMILES: O=C1C(OC)=C(C(=O)C(=C1C2=CC=C(O)C=C2)O)C3=CC=C(OC)C=C3
Compound: Sch 20561
SMILES: O=C/1N[C@@H](C(=O)NCC(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(N[C@@H](C(N[C@@H](C(N\C1=C\C)=O)CC2=CC=C(O)C=C2)=O)[C@H](O)C)=O)NC(=O)/C(/NC(=O)C[C@H](O)CCCCCCCCCCC)=C\C)C)CC=3NC=NC3)[C@@H](O)C)C)CCC(=O)N
Compound: Lunatoic acid E
SMILES: O=C1C=C2C=C(OC[C@@H]2[C@@H]([C@@]1(O)C)OC(=O)[C@H](C[C@H](CC)C)C)C=CC(=O)O
Compound: Acarviostatin III0(-1)
SMILES: O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5C(=C[C@H](N[C@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6C)[C@@H]([C@H]5O)O)CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]7O[C@@H]([C@@H](N[C@H]8C=C([C@@H](O)[C@@H]([C@H]8O)O)CO)[C@@H]([C@H]7O)O)C
Compound: Cyanopeptolin 920
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C)CC(C)C)C(=O)NC(C(=O)NC2CCC(N(C(C(N(C(C(NC1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCCCN)C
Compound: (S)-6-hydroxy-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid
SMILES: O=C(O)C1=C2C(O[C@H](C2)C)=CC(=C1)O
Compound: Fendleryl B
SMILES: O=C1C(O)=C(C(=O)C(=C1C2=CC=C(OC)C=C2)O)C3=CC=C(O)C=C3
Compound: Dysidphenol B
SMILES: O=C(OC)C1=CC(O)=C2O[C@@]3(CC2=C1)[C@@]4([C@H](C(CCC4)(C)C)CC[C@H]3C)C
Compound: Lunatinin B
SMILES: O=C1OC(=CC=2C1=C(O)C(=C(O)C2)C)C[C@@H](O)CO
Compound: Cyanopeptolin 959
SMILES: S(=O)(=O)(OCC(O)C(=O)NC1C(=O)NC(C(=O)NC2C(=O)N(C(CC3=CC=CC=C3)C(N(C(C(NC(C(OC1C)=O)C(CC)C)=O)CC4=CC=CC=C4)C)=O)C(O)CC2)CCCN=C(N)N)O
Compound: 3,5-dichloro-3-de-O-methylsulochrin
SMILES: ClC1=C(O)C(=C(O)C(=C1C)Cl)C(=O)C2=C(O)C=C(O)C=C2C(=O)OC
Compound: Cochliodone F
SMILES: O=C1C(C2=C3C(C(=O)[C@](C2=O)(OC(=O)C)C)=COC(=C3)CCCC(OC=O)C)=C4C(=COC(=C4)CCCC(OC=O)C)C([C@@]1(OC(=O)C)C)=O
Compound: Tsukubachelin
SMILES: O=C1N(O)CCC[C@H]1NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC)CCCN(O)C(=O)C(NC(=O)[C@@H](NC)CCCN(O)C=O)CO)CO)CO
Compound: Fendleryl C
SMILES: O=C1C(=C(OC)C(=O)C2(C1(O2)O)C3=CC=C(OC)C=C3)C4=CC=C(O)C=C4
Compound: Microginin 767
SMILES: O=C(NC(C(=O)O)CC1=CC=C(O)C=C1)C2N(C(=O)C(N(C(=O)C(NC(=O)C(O)C(NC)CCCCCCC)CC3=CC=C(O)C=C3)C)C(CC)C)CCC2
Compound: Lunatinin C/D
SMILES: O=C1OC(=CC=2C1=C(O)C(=C(O)C2)C)C[C@@H](O)CC(=O)C
Compound: Hericenone K
SMILES: O=C1OCC=2C1=C3O[C@](CCC3=C(OC)C2)(CC(=O)CC(O)(C)C)C
Compound: Antrocinnamomin B
SMILES: O=C1N(O)C(=O)C(=C1C2=CC=C(O)C=C2)CC(C)C
Compound: Fendleryl D
SMILES: O(C1=C(OC)C(=C(O)C(=C1C2=CC=C(OC)C=C2)OC)C3=CC=C(OC)C=C3)C
Compound: 11,12-dihydroxy-7beta-hydroperoxytremul-1(10)-ene
SMILES: O(O)[C@]12C(=CC(C1)(C)C)[C@H]([C@@H](CO)CC[C@@H]2C)CO
Compound: Sinensine
SMILES: OC1=CC(O)=CC(=C1)C2=NC=C(C)C3=C2[C@@H](O)CC3
Compound: Anabaenopeptin 820
SMILES: O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=CC=C2)=O)C(C)C)=O)NC(=O)NC(C(=O)O)CCCN=C(N)N)CC3=CC=CC=C3)C)C
Compound: 7alpha-ethoxycallitirisic acid
SMILES: O=C(O)[C@]1([C@H]2[C@@](C3=C(C=C(C(C)C)C=C3)[C@@H](C2)OCC)(CCC1)C)C
Compound: Fendlerinine A
SMILES: O=C1OC(O)C=2C1=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C(=C(OC)C2C(=O)O)C
Compound: Armochaetoglobin K
SMILES: O=C1C(=C[C@H](CC=C[C@@H]2[C@]3(C=4NC1=CC4)C(=O)N[C@H]([C@@H]3[C@H](C)C(=C2)C)CC=5C6=C(C=CC=C6)NC5)C)C
Compound: Thiotipin
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N/C(/C=3OC(C)=C(N3)C(=O)NC(O)C=4SC=C(N4)C(N\C(\C5=NC(C(NC(C(NC(C6=NC(C7=C2C=CC(=N7)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)=C)=C)=C)=C)=CO6)=C)=O)=C)=O)=C(O5)C)=C\C)=O)=C\C)[C@H](O)C
Compound: Microginin 764
SMILES: O=C(NC(C(=O)NC(C(=O)O)CC=1NC=2C=CC=CC2C1)CC3=CC=C(O)C=C3)C4N(C(=O)C(NC(=O)C(O)C(NC)CCCCCCC)C(O)C)CCC4
Compound: Insuetolide B
SMILES: O=C1OC([C@@H]2CC[C@@]34[C@H]([C@]2(C=C1)C)C[C@]5(C(=O)[C@@](C3)([C@H](O)[C@H]6C5(O4)COC6=O)C)C)(C)C
Compound: 7beta-ethoxycallitirisic acid
SMILES: O=C(O)[C@]1([C@H]2[C@@](C3=C(C=C(C(C)C)C=C3)[C@H](C2)OCC)(CCC1)C)C
Compound: Fendlerinine B
SMILES: O=C1N(CC=2C1=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C(=C(OC)C2C(=O)O)C)CC(=O)O
Compound: Phepropeptin B
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@H](C(N[C@@H]1CC3=CC=CC=C3)=O)CC(C)C)=O)C(C)C)CC(C)C)CC4=CC=CC=C4)CCC2
Compound: 15-acetyltrichoverrol B
SMILES: O=C(O[C@H]1[C@@]2([C@@]3([C@@H](C=C(C)CC3)O[C@H](C1)[C@]24OC4)COC(=O)C)C)\C=C/C=C/[C@H](O)[C@H](O)C
Compound: Microginin 757
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)C(O)C)C)CC(C)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Penicifuran C
SMILES: O=CC=1C2=C(C(O)=CC(=C2)O)OC1C
Compound: Poriaprogesterol A
SMILES: O=C(O[C@@H]1C[C@H]2[C@]([C@@H]3C([C@H]4[C@]([C@@H](C(O)C)C[C@@H]4O)(C)CC3)=CC2)(C)CC1)CC5OC[C@@H](C5)O
Compound: Cordycepsidone B
SMILES: O=C1OC2=C(C(O)=C3C(=O)OCC3=C2C)OC4=C1C(=CC(=C4C(=O)O)O)C
Compound: Microginin FR6
SMILES: O=C(NC(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)C3N(C(=O)C(NC(=O)C(O)C(NC)CCCCCCC)C(C)C)CCC3
Compound: Incednine
SMILES: O=C1N[C@H](CC=C(C=CC=C(C=CC=C[C@@H]([C@@](C=CC=CC=C(C=C1OC)C)(O)C)O[C@@H]2OC[C@@H](O[C@@H]3O[C@@H]([C@@H](NC)CC3)C)[C@@H]([C@H]2NC)O)C)C)C
Compound: Fendlerinine C
SMILES: O=C1N(C(C(=O)O)CCC(=O)O)CC=2C1=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C(=C(OC)C2C(=O)O)C
Compound: Quinoisobutyride A
SMILES: O=C1C2=C(N(C(C(=O)N[C@@H](C(=O)N3[C@@H](C(=O)N[C@H](C(=O)O)CC4=CC=CC=C4)CCC3)CC5=CC=C(O)C=C5)(C)C)C6=C1C(=O)N[C@@H]6C(C)C)C=CC=C2
Compound: CP-225,917
SMILES: O=C1OC(=O)C2=C1[C@H]3[C@]4(OC([C@](C2)(CC(=O)O)C4=C[C@H]([C@@H]3C[C@@H](O)C(=O)CC/C=C/C)CCCCC/C=C/C)=O)O
Compound: 2-methylpropane-1,2-dithiol
SMILES: SC(CS)(C)C
Compound: Microginin FR9
SMILES: O=C(NC(C(=O)NC(C(=O)O)CC=1NC=2C=CC=CC2C1)CC3=CC=C(O)C=C3)C4N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)C(O)C)CCC4
Compound: Speciosin N
SMILES: O1[C@@]2(C#CC(O)(CO)C)[C@@H](O)C=C[C@@H]([C@@H]12)O
Compound: Fendlerinine D
SMILES: O=C1N(C(C(=O)O)CCC(=O)OC)CC=2C1=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C(=C(OC)C2C(=O)O)C
Compound: Cyclohelminthol III
SMILES: ClC1=C(/C=C/C)[C@@H](O)C[C@H]1O
Compound: Koninginin T
SMILES: O=C(O[C@@H]1[C@]2(O[C@@H]([C@@H](O)[C@@H]([C@H]2CCC1)O)CCC)O)C(=CC)C
Compound: CKD-711
SMILES: O1[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]3O[C@@H]([C@@H](N[C@@H]4[C@H](O)[C@@H](O)[C@H](O)[C@]5([C@@H]4O5)CO)[C@@H]([C@H]3O)O)CO
Compound: Nemanilactone C
SMILES: O=C1O/C(=C\C(C2(O)C(=O)OC(=C2C)/C=C/C)C)/C(=C1O)C
Compound: Microginin FR5
SMILES: O=C(NC(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)C3N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)C(C)C)CCC3
Compound: ((1aR,2S,2aR,7aR)-1a,2a,6,6-tetramethyl-7-oxodecahydronaphtho[2,3-b]oxiren-2-yl)methyl palmitate
SMILES: O=C1C2[C@@]([C@@H](COC(=O)CCCCCCCCCCCCCCC)[C@@]3([C@H]1O3)C)(CCCC2(C)C)C
Compound: Koninginin U
SMILES: O=C1C2=C(O[C@](O)(CCC)CC2)CCC1
Compound: 8-Acetoxy pestalopyrone
SMILES: O=C1OC(/C(=C/COC(=O)C)/C)=CC(=C1)OC
Compound: 3-[2'(R)-hydroxybutyl]-7-hydroxyphthalide
SMILES: O=C1O[C@@H](C[C@H](O)CC)C=2C1=C(O)C=CC2
Compound: Aeruginosin 602
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@@H]1N(C(=O)[C@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CC(C)C)[C@H]3CC(O)CC[C@H]3C1
Compound: Tsukubachelin B
SMILES: O=C1N(O)CCC[C@H]1NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC)CCCN(O)C(=O)C(NC(=O)[C@@H](NC)CCCN(O)C=O)CO)CCCN)CO
Compound: Epoxynemanione A
SMILES: O=C1C=CO[C@]23[C@]1(O2)C(O)CC(C3O)CC
Compound: (-)-penilactone C
SMILES: O=C1O[C@@]2(OC=3C(=CC(=C(C3C[C@@H]2C1)O)C(=O)C)C)C
Compound: Hortein
SMILES: O=C1C2=C(O)C=CC3=C2C(=C4C(O)=C(O)C=5C(=C34)C(=O)CCC5O)C=C1
Compound: Isochaetoglobosin J
SMILES: O=C1C(=O)CCC(=O)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=CC[C@@H](C=C1C)C)C)CC=4C5=C(C=CC=C5)NC4
Compound: Aeruginosin KY608
SMILES: ClC1=C(O)C=CC(=C1)C[C@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)O)C[C@H]2C(=O)NCCCCN=C(N)N)[C@H](CC)C
Compound: BM-2419-1
SMILES: O=C1C2=C(O)C3=C(O)C=C(O)C=C3C(=C2C(=O)C=4C1=C(O)C=C(O)C4)O
Compound: Nemanifuranone A
SMILES: O=C1C(=C(/C=C/C)O[C@@H]1O)C
Compound: Hapalindole O
SMILES: S=C=N[C@H]1[C@@](C=C)([C@H](O)C[C@H]2[C@@H]1C=3C4=C(C=CC=C4NC3)C2(C)C)C
Compound: N-(indole-3-acetyl)-L-aspartic acid
SMILES: O=C(O)[C@@H](NC(CC1=CNC2=CC=CC=C12)=O)CC(=O)O
Compound: (+)-penilactone C
SMILES: O=C1O[C@]2(OC=3C(=CC(=C(C3C[C@H]2C1)O)C(=O)C)C)C
Compound: Aeruginosin KY642
SMILES: ClC1=C(O)C(Cl)=CC(=C1)C[C@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)O)C[C@H]2C(=O)NCCCCN=C(N)N)[C@H](CC)C
Compound: Xylariamide
SMILES: O=C(NC[C@@H](O)C(C)C)CC(C)C
Compound: Corynether A
SMILES: O=C(O)C1=C(OC2=C(O)C=C(O)C=C2C)C=C(O)C=C1C
Compound: Nemanifuranone B
SMILES: O=C1C(=C(CCC)O[C@@H]1O)C
Compound: 5-Deoxybutirosamine
SMILES: O=C(NC1C(O)CC(OC2OC(C(O)C(C2N)O)CN)C(C1)N)[C@@H](O)CCN
Compound: Lyngbyabellin I
SMILES: ClC(Cl)(CCC[C@H](OC(=O)C=1N=C([C@H](O)COC(=O)C[C@@H](OC(=O)C)[C@@H](NC(=O)CCC)CC(C)C)SC1)[C@@H](C(=O)O[C@H](C=2SC=C(N2)C(=O)OC)C(C)C)C)C
Compound: Tetrahydroindol 5
SMILES: O=C1NC=NC2=C1N=CN2[C@H]3C=4C(=CN(C4[C@H](C)[C@@H](C3)O)C)C=O
Compound: Inonotin E
SMILES: O=C1[C@@](O)([C@H]2[C@H]([C@@H](C)[C@@H](C2)O)[C@@H]3[C@H](C1)[C@]3(CO)C)C
Compound: Phomoterpene A
SMILES: O=C(O)C1=CC(O)=C([C@@H](C(=O)CCC(C)C)C)C=C1
Compound: Nemanifuranone C
SMILES: O=C1C(=C(CC(O)C)OC1O)C
Compound: Reebetaiate
SMILES: O=C(OCC1=C(C(O)=C(C)C(=C1)OC)C=O)C2=C(O)C(=C(O)C=C2C)C
Compound: Xylarenic acid
SMILES: O=C(O)/C(=C/1\[C@H]2[C@@H]([C@](O)(C)CC2)CC(C1)(C)C)/C
Compound: Tetrahydroindol 3
SMILES: O=CC=1C2=C([C@H]([C@@H](O)C[C@@H]2OC)C)N(C1)C
Compound: Geomycin B
SMILES: O=C(OC1=CC(OC)=C(OC2=C(C(O)=CC(=C2)C)C(=O)O)C(=C1)C(=O)OC)C3=C(OC4=C(OC)C=C(O)C=C4C(=O)OC)C=C(C)C=C3O
Compound: Phomoterpene B
SMILES: O=C(O)C1=CC(O)=C([C@H](C(=O)CCC(C)C)C)C=C1
Compound: Nemanifuranone D
SMILES: O=C1C(=C(/C=C/CC)O[C@@H]1O)C
Compound: Fumigaclavine G
SMILES: N1C2C(C3=C4C(=CC=C3)NC(=C4C2)C(C=C)(C)C)CC(C1)C
Compound: Hypomurocin B-3b
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(C)C)CO)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)C(NC(=O)C(NC(=O)C)(C)C)CO)C)CC(C)C)(C)C)CCC(=O)N)(CC)C)C(C)C)(C)C)(C)C)(C)C
Compound: Tetrahydroindol 2
SMILES: O=CC=1C2=C([C@](O)([C@H](O)C[C@@H]2O)C)N(C1)C
Compound: Delitzchianone A
SMILES: O=C1C2=C(O)C(OC)=C(OC)C=C2C(=O)C3=C1CO[C@@](C3)(O)CCCCCCC
Compound: Phomoisocoumarin C
SMILES: O=C1OC(=C(CO)C=2C1=C(O)C(=C(O)C2)C)C
Compound: Nemanifuranone E
SMILES: O=C1O[C@](/C=C/C)([C@H](CC=2OC(O)C(C2C)=O)C)C(=C1O)C
Compound: Leptosphaerin F
SMILES: O=C1C2=C(O[C@]3([C@H]1[C@@H](O)C[C@H]([C@@H]3O)C)C)C=CC=C2O
Compound: Tetrahydroindol 1
SMILES: O=CC=1C2=C([C@@H]([C@H](O)C[C@H]2O)C)N(C1)C
Compound: Aniduquinolone A
SMILES: O=C1NC2=C(C(O)=C(/C=C/[C@@]3(O[C@@H](C(=C)C)CC3)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=CC=C4
Compound: Dihydro-bisdechlorogeodin
SMILES: O=C1C=C(OC)C2(OC=3C=C(C)C=C(C3C2=O)O)C(C1)C(=O)OC
Compound: (4S,6S)-4-hydroxy-gamma-ionylideneacetic acid
SMILES: O=C(O)/C=C(/C=C/[C@@H]1C(=C)[C@@H](O)CCC1(C)C)\C
Compound: Nemanifuranone F
SMILES: O=C1O[C@](/C=C/C)([C@@H](CC=2OC(O)C(C2C)=O)C)C(=C1O)C
Compound: Taveuniamide G
SMILES: ClC(Cl)=CC#CCCC[C@@H](NC(=O)C)CCCC#CCC(Cl)Cl
Compound: Neoefrapeptin H
SMILES: O=C(NC(C(=O)N1[C@H](C(=O)NC(C(=O)NCC(=O)O)(C)C)CCCC1)(C)C)C2(NC(=O)CNC(=O)CCNC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)[C@H]4N(C(=O)C)CCCC4)(C)C)CCCC3)(CC)C)(CC)C)CC(C)C)CC2
Compound: Tetrahydroindol 4
SMILES: O=CC=1C2=C([C@H]([C@@H](O)C[C@H]2O)C)N(C1)C
Compound: (4R,5R,6S)-5,14-dihydro-4-hydroxy-gamma-ionylideneacetic acid
SMILES: O=C(O)/C=C(/C=C/[C@@H]1C(CC[C@H]([C@@H]1C)O)(C)C)\C
Compound: Quinadoline B
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@H]4NC([C@@H]2C[C@]45C6=C(C=CC=C6)N7[C@H]5N8[C@@H](CCC8)C7=O)=O
Compound: Nemanilactone A
SMILES: O=C1OC(/C=C/C)=C([C@@H]1O)C
Compound: Bafilomycin C1
SMILES: O=C1OC(C(OC)C=CC=C(CC(C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C2(OC(C(C)C(C2)OC(=O)/C=C/C(=O)O)C(C)C)O)C)C
Compound: Geomycin A
SMILES: O=C(OC1=CC(OC)=C(OC2=C(C(O)=CC(=C2)C)C(=O)OC)C(=C1)C(=O)OC)C3=C(OC4=C(OC)C=C(O)C=C4C(=O)OC)C=C(C)C=C3O
Compound: Shearinine L
SMILES: O=C1C=C2C(=CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=C7C8=CC(OC([C@H]8CC7=CC6C5C4)(C)C)(C)C)C)C)O[C@@H]1C(O)(C)C
Compound: Zopfiellin A
SMILES: O=C1C=C([C@H](CC[C@@H](O)C(O)(C)C)C)CC[C@@]1(O)C
Compound: (E)-(3-chloromethylene-2,3-dihydrobenzo[b]oxepin-7-yl)methanol
SMILES: Cl/C=C/1\C=CC=2C=C(CO)C=CC2OC1
Compound: Nemanilactone B
SMILES: O=C1O/C(=C\C([C@]2(OC(=O)C(=C2C)O)/C=C/C)C)/C(=C1O)C
Compound: Azaspirofuran B
SMILES: O=C1N[C@@](O)(C(=O)C2=CC=CC=C2)[C@@H]([C@@]13OC(C=4OC(CC)=CC4)=C(C3=O)C)O
Compound: Chenopodolan F
SMILES: O=C(C1=C2C(OC)=C(C)O[C@H]2OC(=C1)C)C
Compound: Shearinine M
SMILES: O=C1C=C2C(=CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=C7C8=CC(OC([C@H]8[C@@H](C7=CC6C5C4)O)(C)C)(C)C)C)C)O[C@@H]1C(O)(C)C
Compound: Zopfiellin B
SMILES: O=C1C=C([C@H](CCC(=O)OC)C)CC[C@@]1(O)C
Compound: TMC-34
SMILES: O=C1OC(C(C=CC(O)C(C(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=C1)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(C/C(=C/CC/C=C/CCCNC(=NC)N)/C)C
Compound: (-)-applanatumol Q
SMILES: O=C(OC)[C@]1(O[C@@H](C(CO)C)CC1)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Pestalic acid A
SMILES: O=C1C(=O)C(=C(O)C2=C1[C@H](O[C@@H]([C@H]2OC)CCCCC)OC)C/C=C(/C(=O)O)\C
Compound: RS-22C
SMILES: O=C1OC(C(C=CC=C(C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC=C1)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(CCC/C=C/CCCNC(=NC)NC)C
Compound: Mycenaflavin B
SMILES: O=C1C(O)=C2N=CC3=C2C(=C1)N(C=C3)CCCO
Compound: Zopfiellin C
SMILES: O=C(O)C1=CC=C([C@H](CC[C@@H](O)C(O)(C)C)C)C=C1
Compound: Arenicolide B
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)O)O)C)C)C)C
Compound: Micropeptin B
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)CCC(=O)O)C(=O)N[C@H](C(=O)NC2CCC(N([C@H](C(N(C(C(N[C@H]1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C2=O)O)CCCCN)C
Compound: Pestalic acid B
SMILES: O=C(O)/C(=C/C[C@]12O[C@H]1[C@@H](O)C=C([C@H]2O)/C=C/CCCCC)/C
Compound: 5,6-epoxy-pinolidoxin
SMILES: O=C1OC(C(O)C(O)C2C(CCC1OC(=O)/C=C/C=C/C)O2)CCC
Compound: Mycenaflavin A
SMILES: O=C1C(N)=CC=2N(C=CC=3C2C1=NC3)CCCO
Compound: Zofiellone
SMILES: O=C1OC(=C(COC(=O)C)C(=C1CO)OC)/C=C/C(=O)O
Compound: Pestalic acid C
SMILES: O=C1C=C(/C=C/CCCCC)[C@@H](O)[C@]([C@H]1O)(O)C/C=C(/C(=O)O)\C
Compound: Cyclo-(L-phenylalanine-D-4-hydroxyproline)
SMILES: O=C1N2[C@@H](C(=O)N[C@H]1CC3=CC=CC=C3)C[C@H](C2)O
Compound: Dehydroaltenuene B
SMILES: O=C1O[C@@]2(C(=CC(=O)[C@H](C2)O)C=3C1=C(O)C=C(OC)C3)C
Compound: 5beta-cyprinol sulfate
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(CO)COS(O)(=O)=O
Compound: Mycenaflavin C
SMILES: O=C1C(N)=CC=2N(C=CC=3C2C1=NC3O)CCCO
Compound: Microviridin E
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CC(=O)NCCCC[C@@H]3NC([C@@H](NC([C@H]([C@H](OC(C[C@@H](C(N[C@H]1CC4=CC=CC=C4)=O)NC(=O)[C@@H](NC(=O)[C@H]5N(C(=O)[C@@H](NC3=O)CC6=CC=C(O)C=C6)CCC5)CO)=O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC7=CC=CC=C7)CO)=O)CC8=CC=C(O)C=C8)=O)CCC(=O)OC
Compound: Sterostrein X
SMILES: O=C1C=2C(=C(CO)OC2)[C@@](O)(C)[C@H]3[C@@H]1[C@@H](O)C(C)(C)C3
Compound: Reticulol
SMILES: O=C1OC(=CC=2C1=C(O)C(OC)=C(O)C2)C
Compound: Pestalic acid D
SMILES: O=C1C=C(/C=C/CCCCC)[C@@H](O)[C@](C1)(O)C/C=C(/C(=O)O)\C
Compound: Alliacol A
SMILES: O=C1O[C@@]23[C@@]4(O[C@@H]4C(C2)(C)C)[C@H](C)CC[C@@]3(C1=C)O
Compound: Mycenaflavin D
SMILES: O=C1C(N)=CC=2N(C=CC=3C2C1=NC3C=4N=C5C(=O)C(N)=CC6=C5C4C=CN6CCCO)CCCO
Compound: Acaterin
SMILES: O=C1O[C@H](C)C=C1[C@H](O)CCCCCCC
Compound: Sterostrein Y
SMILES: O=C1C=2C(=C(C=O)OC2)[C@@](O)(C)[C@H]3[C@@H]1[C@@H](O)C(C)(C)C3
Compound: 24xi-methyl-5alpha-lanosta-25-one
SMILES: O=C(C(CC[C@H]([C@@H]1[C@@]2([C@@]([C@H]3[C@@H]([C@@]4([C@H](C(CCC4)(C)C)CC3)C)CC2)(C)CC1)C)C)C)C
Compound: Pestalic acid E
SMILES: O=C1C(=C(C(=O)[C@@H]2[C@]1(O2)C/C=C(/C(=O)O)\C)CO)/C=C/CCCCC
Compound: Penisporolide B
SMILES: O=C1O[C@H]2C[C@]3(O[C@H](CCC(=O)CCC)CC3)O[C@H]2C1(C)C
Compound: 2,4-dihydroxy-6-(2-oxopropyl)-benzoic acid
SMILES: O=C(O)C1=C(O)C=C(O)C=C1CC(=O)C
Compound: Rickiol A
SMILES: O=C1O[C@@H](CCCCCCCCCCCC[C@@H](C[C@@H](C=C1)O)O)C[C@H](O)C[C@H](O)C
Compound: Hirsutenol G
SMILES: O=C1[C@H]2[C@@H]3[C@@](CC(C3)(C)C)(C)[C@H]([C@@H]2C[C@@H]1CO)O
Compound: 2-(2-methyl-3-en-2-yl)-1H-indole-3-carbaldehyde
SMILES: O=CC=1C2=C(C=CC=C2)NC1C(C=C)(C)C
Compound: Anhydroophiobolin A
SMILES: O=C1C=C(C)[C@@H]2[C@H]1C(=CC[C@H]3[C@]4(O[C@@H](C=C(C)C)C[C@@H]4C)CC[C@@]3(C2)C)C=O
Compound: Rickiol B
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@@H]([C@@H](C=C1)O)O)C[C@H](O)C[C@H](O)C
Compound: Kasanosin C
SMILES: O=C1C2=C(C=C(/C=C/C)OC2)C[C@@H]([C@@]1(OC(=O)C3=C(OC)C=C(O)C=C3C)C)O
Compound: SB 253518
SMILES: O=C1O/C(=C/C(=O)NC(=O)C[C@@H](O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)/C=C/CCCCCCCCCCC)/[C@@H]3N1CCC3
Compound: Sterpurol C
SMILES: O=C1C=C2[C@@](O)(CC2CO)[C@H]3[C@@]1([C@H](O)C(C)(C)C3)C
Compound: 6,8-dihydroxy-3-(2S-hydroxypropyl)-7-methyl-1H-isochromen-1-one
SMILES: O=C1OC(=CC=2C1=C(O)C(=C(O)C2)C)C[C@@H](O)C
Compound: Dimethylamide asterrate
SMILES: O=C(OC)C1=C(OC2=C(C(O)=CC(=C2)C)C(=O)N(C)C)C(OC)=CC(=C1)O
Compound: Rickiol C
SMILES: O=C1O[C@@H](CCCCCCCCCCCC[C@H]2[C@H]([C@@H](C=C1)O)O2)C[C@H](O)C[C@H](O)C
Compound: Penicacid A
SMILES: O=C1OCC=2C1=C(OC)C(=C(OC)C2C)CC=C([C@@H](O)CC(=O)O)C
Compound: Xentrivalpeptide A
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)N3[C@@H](CCC3)C(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C(C)C)=O)C(C)C)=O)CC4=CC=CC=C4)C
Compound: 2-(2,2-dimethylcyclopropyl)-1H-indole-3-carbaldehyde
SMILES: O=CC=1C2=C(C=CC=C2)NC1[C@@H]3C(C)(C)C3
Compound: 2alpha,6beta,14beta-trihydroxy-isopimara-8(9),15-diene
SMILES: O[C@H]1C2=C([C@@]3([C@H](C(C[C@@H](C3)O)(C)C)[C@@H](C2)O)C)CC[C@@]1(C=C)C
Compound: Stevastelin-C3
SMILES: O=C1OC(C(C(=O)NC(C(C)C)C(NC(C(NC1CO)=O)C(O)C)=O)C)C(C(O)CCCCCCCCCCCCC)C
Compound: Erinaceolactone A
SMILES: O=C1OCC2=C1C=C(C(=O)C)C(=C2)O
Compound: Jomthonic acid A
SMILES: O=C(N[C@H](C(=O)O[C@@H]([C@H](C(=O)O)C)C)[C@@H](C1=CC=CC=C1)C)/C=C/C(=C/C)/C
Compound: Rickiol D
SMILES: O=C1O[C@@H](CCCCCCCCCCCCCC[C@@H](C=C1)O)C[C@H](O)C[C@H](O)C
Compound: Acetylquestinol
SMILES: O=C1C2=C(OC)C=C(O)C=C2C(=O)C=3C1=C(O)C=C(COC(=O)C)C3
Compound: 2alpha,6beta,14alpha-trihydroxy-isopimara-8(9),15-diene
SMILES: O[C@@H]1C2=C([C@@]3([C@H](C(C[C@@H](C3)O)(C)C)[C@@H](C2)O)C)CC[C@@]1(C=C)C
Compound: Trans-7-chloro-4-hydroxymellein
SMILES: ClC1=C(O)C=2C(=O)O[C@H](C)[C@H](C2C=C1)O
Compound: 1-hydroxy-1-norresistomycin
SMILES: O=C1C=2C3=C(C(O)=C4C(=O)C=C(C5=C4C3=C(C=C5O)[C@@](C2O)(O)C)C)C(=C1)O
Compound: CJ-13,015
SMILES: O=C1O[C@@H](CCCCCCCCCC(=O)CCC(=O)C)C=2C1=C(OC)C=C(OC)C2
Compound: Rickiol E
SMILES: O=C1O[C@@H](CCCCCCCCCCCCCCCC=C1)C[C@H](O)C[C@H](O)C
Compound: 2-[(2,2-dimethylbut-3-enoyl)amino]benzoic acid
SMILES: O=C(O)C1=C(NC(=O)C(C=C)(C)C)C=CC=C1
Compound: Monocycloalternarene D
SMILES: O=C1C(=C(O)[C@@H](O)C[C@H]1OC)C/C=C(/CC/C=C(/CC/C=C(/C(=O)O)\C)\C)\C
Compound: Vancouverone A
SMILES: O=C1NC=C(C2=CC=C(O)C=C2)C(=C1C(=O)[C@H](C[C@H](C/C(=C/C)/C)C)C)O
Compound: Haematocin
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C)C=CC4)[C@@H]5[C@@H](OC(=O)C)C=CC=C5C2)C
Compound: Rickiol A2
SMILES: O=C1O[C@@H](C[C@H](O)CCCCCCCCCCCC[C@@H](C[C@@H](C=C1)O)O)C[C@H](O)C
Compound: Balticolid
SMILES: O=C1O[C@@H](CC=CC(=O)CC=C[C@@H](C1)O)C
Compound: Heterocornol F
SMILES: O=CC1=C(O)C=CC(=C1CC[C@@H](O)[C@H](O)C)CC=C(C)C
Compound: Vancouverone B
SMILES: O=C1N[C@@H]([C@@H](O)C2=CC=C(O)C=C2)C(C1=C(O)[C@H](C[C@H](CC(=CC)C)C)C)=O
Compound: Austrocolorone B
SMILES: O=C1C=2C(=C(O)C3=C(OC)C=C(C=C3C2C4=C5C(=O)C(=CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C)OC)C(=O)C=C1C
Compound: Xialenone C
SMILES: O=C1C(O)=C(CC=C)[C@@]2([C@@]1(O)CC[C@@H]2O)O
Compound: Blanchaquinone
SMILES: O=C1C2=C(O)C(=C(CC(=O)OC)C=C2C(=O)C=3C1=C(O)C=CC3)C(=O)CCCC
Compound: 10,11-dihydroxy-citreoviridin
SMILES: O=C1OC(=C(C)C(=C1)OC)C=CC=C[C@H](O)[C@H](O)C(=C[C@@]2(O[C@H](C)[C@@]([C@H]2O)(O)C)C)C
Compound: Trichokindin-Ia
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)(CC)C)CC(C)C)(C)C)C)(C)C)(C)C
Compound: Rickiol A3
SMILES: O=C1O[C@@H](C[C@H](O)C[C@@H](O)CCCCCCCCCCCC[C@@H](C[C@@H](C=C1)O)O)C
Compound: 8,9-dihydrogreensporone A
SMILES: ClC1=C(O)C=C(OC)C2=C1CC(=O)CCCCC(CC[C@@H](OC2=O)C)=O
Compound: Heterocornol G
SMILES: O1C(C=CC2=C(C1)C(O)=CC=C2CC=C(C)C)C(O)C
Compound: 1,4-diacetoxypalitantin
SMILES: O=C1[C@H](OC(=O)C)[C@H](O)C[C@H]([C@@H]1COC(=O)C)/C=C/C=C/CCC
Compound: Fusaprolifin A
SMILES: O=C1C(O)=C([C@@H](COC(=O)C)C)[C@@H]2[C@@]1(CC=C(CC=C[C@]3(O[C@@H](C(=CC2)C)CC3)C)C)C
Compound: Speciosin U
SMILES: O1[C@@]2([C@H](O)C(C#CC(O)(CO)C)=C[C@@H]([C@H]12)O)CC=C(C)C
Compound: Rickiol E2
SMILES: O=C1O[C@@H](C[C@H](O)CCCCCCCCCCCCCCCC=C1)C[C@H](O)C
Compound: (2S)-3-O-beta-D-galactopyranosyl-1-O-(9Z,12Z-octadecadienoyl)-2-O-(4Z-hexadecenoyl)glycerol
SMILES: O=C(O[C@H](COC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COC1OC(C(O)C(C1O)O)CO)CC/C=C/CCCCCCCCCCC
Compound: Heterocornol H
SMILES: O1[C@H]([C@H](O)C)CCC=2C(C1)=C(O)C=CC2CC=C(C)C
Compound: Xanthobaccin A
SMILES: O=C1NCCC(O)C2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](CC=C1)[C@@H]4[C@@H]([C@@H]5[C@H]([C@@H](CC)C[C@@H]5C4)C)C(C3)=O
Compound: Rickiol E3
SMILES: O=C1O[C@@H](C[C@H](O)C[C@@H](O)CCCCCCCCCCCCCCCC=C1)C
Compound: Speciosin V
SMILES: O1[C@@]2([C@@H](O)C(C#CC(CO)C)=C[C@@H]([C@H]12)O)CC=C(C)C
Compound: Falconensin J
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)CCC
Compound: Heterocornol I
SMILES: O1[C@H](C=2C(=CC=C(C2C1)O)CC=C(C)C)C[C@@H](O)[C@@H](O)C
Compound: (2S)-5-hydroxy-6,8,10-trimethoxy-2-methyl-4H-2,3-dihydronaphtho[2,3-b]pyran-4-one
SMILES: O=C1C=2C(O[C@H](C1)C)=C(OC)C3=CC(OC)=CC(=C3C2O)OC
Compound: Anabaenopeptin G
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(NC(C(N[C@H]1CCC2=CC=C(O)C=C2)=O)[C@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)CC3=CC=C(O)C=C3)[C@H](CC)C)CCC4=CC=C(O)C=C4)C
Compound: Speciosin W
SMILES: O=C1C=C(C#CC(CO)C)C(O)C(C1)(O)CC=C(C)C
Compound: 23-(6-methyl)heptanoic acid demalonylazalomycin F5a ester
SMILES: O=C1O[C@H](C(C=CC=C([C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](OC(=O)CCCCC(C)C)C[C@@H]2O[C@@](C[C@@H]([C@H](CCC(C(C(CC(C(C=CC=C1C)C)O)O)C)O)C)O)(O)[C@@H](O)[C@@H](C2)O)C)C)[C@H](CCCC=CCCCNC(=NC)NC)C
Compound: 3′-epi-N-acetyl-holyrine A
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4O[C@H]([C@H](O)[C@H](C4)NC(=O)C)C)C5=C3C=CC=C5)=C6NC7=C(C26)C=CC=C7
Compound: Heterocornol J
SMILES: O1[C@@H](C=2C(=CC=C(C2C1)O)CC=C(C)C)C[C@H](O)[C@@H](O)C
Compound: Malettinin C
SMILES: O=C1C(O)=CC(C)=C2C(=C1)O[C@@]3(OC[C@@H]([C@@H]3O)C)[C@@H](C)C2
Compound: PM-53
SMILES: O=C1C(OC)=C(C(=O)C(=C1C=2C3=C(C=CC(=C3)/C=C/C(=C)C)NC2)OC)C=4C5=C(C=CC=C5)NC4
Compound: 1-methoxylfusarnaphthoquinone A
SMILES: O=C1C2=C(OC)C=C(OC)C(=C2[C@H](O)[C@@H]([C@@H]1CO)CC(=O)C)O
Compound: Spinoxazine B
SMILES: O=C1OC(=NC(=C1)N2C(=O)CC[C@@H]2C)C=C(C)C
Compound: 3′-N-acetyl-holyrine A
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4O[C@H]([C@H](O)[C@@H](C4)NC(=O)C)C)C5=C3C=CC=C5)=C6NC7=C(C26)C=CC=C7
Compound: Speciosin P
SMILES: OC1=C(C#C[C@@H](O)CO)C=C(O)C=C1
Compound: Heterocornol K
SMILES: O1[C@H](C=2C(=CC=C(C2C1)O)CC=C(C)C)C[C@H](O)[C@@H](O)C
Compound: Ampelopyrone
SMILES: O=C1OC(=CC(=C1C)O)C[C@@H](OC(=O)C)C
Compound: 5-dehydroxysolaninol
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C(C[C@@H](O)C)C(=C2O)C
Compound: N-acetyl-7-O-acetylneuraminic acid
SMILES: CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1C(OC(C)=O)C(O)CO)C(O)=O
Compound: Tripropeptin C
SMILES: O=C1OC(CC(=O)NC(C(=O)N2C(C(=O)N3C(C(=O)NC(C(NC(C(NC(C(N4C(C(NC1C(O)C(=O)O)=O)C(O)CC4)=O)CO)=O)C(O)C(=O)O)=O)CCCN=C(N)N)CCC3)CCC2)C(O)C)CCCCCCCCCC(C)C
Compound: Cordycepsidone A
SMILES: O=C1OC2=C(C(O)=C3C(=O)OCC3=C2C)OC4=C1C(=CC(=C4C=O)O)C
Compound: 3′-N-formyl-holyrine A
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4O[C@H]([C@H](O)[C@@H](C4)NC=O)C)C5=C3C=CC=C5)=C6NC7=C(C26)C=CC=C7
Compound: Aureobasidin-T3
SMILES: O=C1OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(NC(C(N(C(C(NC(C(N(C1C(C)C)C)=O)CC(C)C)=O)CC(C)C)C)=O)C(CC)C)=O)C(O)C3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)C
Compound: Heterocornol L
SMILES: O=C(OC/C(=C/CC1=C2C(=C(O)C=C1)CO[C@H]2CC(O)C(=O)C)/C)C
Compound: 1-dehydroxysolaninol
SMILES: O=C1C2=C(O)C(OC)=CC=C2C(=O)C(=C1C[C@@H](O)C)C
Compound: Trans-cyclo-(D-tryptophanyl-L-tyrosyl)
SMILES: O=C1N[C@@H](C(=O)N[C@H]1CC2=CC=C(O)C=C2)CC=3C4=C(C=CC=C4)NC3
Compound: 5-hydroxy-5-(methoxymethyl)-4-methylfuran-2(5H)-one
SMILES: O=C1O[C@@](O)(COC)C(=C1)C
Compound: Tricycloalternarene 4a
SMILES: O=C1C2=C(OC3(CC=C(C3C2)C(CCC=C(C)C)C)C)C(OC)CC1
Compound: Eudesm-4(15)
SMILES: O=C(O)C1=C(NC(C2=C[C@@H](O)[C@]3(CCCC([C@@H]3C2)=C)C)(C)C)C=CC=C1
Compound: Heterocornol A
SMILES: O=CC1=C(O)C=CC=C1CC[C@@H](O)[C@H](O)C
Compound: Monapilonitrile A
SMILES: O=C1C=2C(C=C(/C=C/C)OC2)=C\C(\[C@@]1(O)C)=C(\C#N)/C(=O)CCCCC
Compound: 4-acetoxy-plakinamine B
SMILES: O=C(O[C@H]1[C@H](NC)CC[C@]2([C@H]1CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@@H](/C=C/C5=C(CN(C)CC5)C)C)C)C)C
Compound: Takanawaene C
SMILES: O=C1OC(C(C=CC=CC=CC=CC=CC(O)C(C(CC(CC(CCCC(CC(C1C)O)O)O)O)O)C)C)C(C)C
Compound: (9R, 22R)-bisphenol A bis (9, 22-hydroxy-10, 23-anthranilicacid-propyl)
SMILES: O=C(O)C1=C(NC[C@@H](O)COC2=CC=C(C(C3=CC=C(OC[C@H](O)CNC4=C(C(=O)O)C=CC=C4)C=C3)(C)C)C=C2)C=CC=C1
Compound: N-ethanolic monapilosine
SMILES: O=C1C=2C(C=C(/C=C/C)N(C2)CO)=CC=3[C@@]1(OC(=O)C3C(=O)CCCCC)C
Compound: Methyldecylparaben
SMILES: O=C(OCCCCCCCCC(C)C)C1=CC=C(O)C=C1
Compound: Heterocornol B
SMILES: O=CC1=C(O)C=CC=C1/C=C/[C@@H](O)[C@@H](O)CCC
Compound: 4-hydroxy-3-(4-methoxy-1H-indol-3-yl)-2-thioxothiazolidine-4-carboxylic acid
SMILES: S=C1SC[C@](N1C=2C3=C(OC)C=CC=C3NC2)(O)C(=O)O
Compound: Isobisvertinol
SMILES: O=C1C(=C(O)/C(=C(\O)/C=C/C=C/C)/[C@@H]2[C@]1(O[C@@]3(O)[C@@](O)(C\C(\C([C@@]23C)=O)=C(\O)/C=C/C=C/C)C)C)C
Compound: 5beta-dihydrotestosterone
SMILES: [C@@]12([C@@]([C@@]3([C@@](CC(=O)CC3)(CC1)[H])C)(CC[C@]4(C)[C@H](CC[C@@]24[H])O)[H])[H]
Compound: N-acetyl-9-O-acetylneuraminic acid
SMILES: [H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)COC(C)=O
Compound: Averythrin
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)/C=C/CCCC
Compound: Heterocornol C
SMILES: O1C(C=CC=2C(C1)=C(O)C=CC2)C(O)C
Compound: Tricycloalternarene L
SMILES: O=C1C2=C(O[C@@]3(CC=C([C@@H]3C2)C(CCC(=O)O)C)C)[C@@H](O)CC1
Compound: 3′-O-methyldehydroisopenicillide
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)/C=C/C(OC)(C)C
Compound: N-acetyl-S-(8-methoxy-4H-thiazolo[5,4-b]indol-2-yl)-L-cysteine
SMILES: S1C(SC[C@H](NC(=O)C)C(=O)O)=NC2=C1NC=3C=CC=C(C23)OC
Compound: Xylaguaianol D
SMILES: OC([C@@H]1C[C@H]2C(CC[C@H]2C)=C(CC1)C)(CO)C
Compound: Tricycloalternarene K
SMILES: O=C1C2=C(O[C@@]3(CC=C([C@@H]3C2)C(CCCC(C(=O)O)C)C)C)[C@@H](O)CC1
Compound: Archazolid C
SMILES: S1C(=NC(=C1)[C@H]2OC(=O)C(=CCC(=C[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)[C@H](C=C(C=C(C=C[C@H]([C@@H]([C@@H](C(=CC=C[C@@H]2C)C)OC)C)O)C)C)C)C)C)[C@@H](OC(=O)NC)CC(C)C
Compound: Sch 601324
SMILES: S(=O)(=O)(OCC(O)(C(O)CC[C@H]([C@]1(O)[C@@]2([C@@](C3=C([C@@]4(C(C([C@@H](OC(=O)C)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)C)O
Compound: Heterocornol D
SMILES: O=C1OC(C=CC=2C1=C(O)C=CC2)C(O)C
Compound: 7-O-ethyl ganoderic acid O
SMILES: O=C(O)/C(=C/CC(OC(=O)C)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)C)CC4)(C)C)C[C@H]3OCC)C)CC2)(C)[C@H](C1)OC(=O)C)C)C)/C
Compound: Aspoquinolone E
SMILES: O=C1NC2=C(C(O)=C(/C=C/[C@]3(OC(C)(C)[C@H]4[C@@H]3C4)C)C=C2)[C@@]([C@@H]1OC)(O)C5=CC=CC=C5
Compound: Leptosphaerin B
SMILES: O=C1C2=C(OC=C2[C@@H](O)[C@@H](C1)C)C3=C(O)C=CC=C3O
Compound: Cyclo-(L-Phe-L-Val)
SMILES: O=C1N[C@H](C(=O)N[C@H]1C(C)C)CC2=CC=CC=C2
Compound: Cyathin A4
SMILES: O=C1C=C([C@H](O)C[C@H]2[C@]1(CC[C@@]3(C2=C(C(CO)C)CC3)C)C)CO
Compound: Heterocornol E
SMILES: O1[C@@H]2O[C@H]([C@H]1CCC=3C2=C(O)C=CC3)C
Compound: Cancrolide A
SMILES: O=C1O[C@H](C(C=CC=CC)C=CC=C)C[C@H]1O
Compound: Aspoquinolone F
SMILES: O=C1NC2=C(C(O)=C(/C=C/[C@]3(OC(C)(C)[C@@H]4[C@H]3C4)C)C=C2)[C@@]([C@@H]1OC)(O)C5=CC=CC=C5
Compound: 3,4-Dimethylcatechol
SMILES: OC1=C(O)C=CC(=C1C)C
Compound: Nigrosporone A
SMILES: O=C1C2=C(O)C=CC(=C2[C@H](O)[C@@H]3[C@@H]1C[C@@H](O)[C@](C3)(O)C)O
Compound: Tumescenamide C
SMILES: O=C/1O[C@@H]([C@H](NC(=O)[C@H](C[C@H](CCC)C)C)C(=O)N[C@H](C(=O)N[C@@H](C(N[C@@H](C(N\C1=C/C)=O)CC2=CC=C(O)C=C2)=O)C(C)C)CC(C)C)C
Compound: Childinasterone A
SMILES: O=C1C=CC2=CC(=O)CC[C@@]2([C@H]1CC[C@]3(C(=O)CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C
Compound: Rhytidchromone E
SMILES: O=C1C2=C(OC(=C1)C)C(=C(OC)C=C2O)[C@@H](OC)C[C@@H](OC)C(=O)O
Compound: Nigrosporone B
SMILES: O=C1C2=C(C(=O)C3=C1C[C@@](O)(C)[C@@H](C3)O)C(O)=CC=C2O
Compound: Childinin A
SMILES: O=C1OC2=C(OC)C=C(C)C=C2C3=C1C=CC=4C3=CC(O)=CC4OC
Compound: Karnamicin A3
SMILES: S1C(=NC(=C1)C2=NC(=C(O)C(=C2OC)OC)C(=O)N)[C@@H](O)CCCC(O)(C)C
Compound: Aspernidine F
SMILES: O=C1N(CC2=C1C=C(OC)C(=C2O)OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)CCO
Compound: Pyralomicin 2a
SMILES: ClC1=C(O)C2=C(OC=3N([C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO)C(=CC3C2=O)Cl)C(=C1)C
Compound: Circinamide
SMILES: O=C(O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N(CCCCN)CCCCN)CC(C)C
Compound: 6,6′,9′-trinor-bipenicilisorin
SMILES: O=C1OC(C(=O)OC)=CC=2C1=C(O)C(C3=C(O)C=4C(=O)OC(C(=O)O)=CC4C=C3O)=C(O)C2
Compound: Childinin B
SMILES: O=C1C(=O)C=C(OC)C=2C1=C(OC2)C3=C(OC)C(OC)=CC(=C3)C
Compound: Aspernidine G
SMILES: O=C1NCC2=C1C=C(OC)C(=C2O)OC/C=C(/CC/C=C(/CCC(=O)C(=C)C)\C)\C
Compound: Chlorophellin A3
SMILES: ClC1=C(Cl)C(OC)=C(Cl)C(=C1OC2=C(Cl)C(OC)=C(Cl)C(=C2O)OC3=C(Cl)C(Cl)=C(OC)C(=C3Cl)Cl)Cl
Compound: Berkleasmin B
SMILES: O=C1[C@H](C(C=O)=C)C[C@@]2([C@H](CC[C@H]([C@]32[C@@H]1O3)OC(=O)[C@@H]([C@H](O)/C(=C/C(CO)CCCCCC)/C)C)C)C
Compound: Nataxazole
SMILES: O=C(OC)C1=C2N=C(C3=C4N=C(C5=C(O)C=CC=C5C)OC4=CC=C3)OC2=CC=C1
Compound: 6,6′-dinor-bipenicilisorin
SMILES: O=C1OC(C(=O)OC)=CC=2C1=C(O)C(C3=C(O)C=4C(=O)OC(C(=O)OC)=CC4C=C3O)=C(O)C2
Compound: (+/-)-childinin C
SMILES: O=C1N([C@H](C2=C(OC)C(OC)=CC(=C2)C)C=3C1=C(OC)C=C(O)C3)CCC(C)C
Compound: Aspernidine H
SMILES: O=C1N(CC2=C1C=C(OC)C(=C2O)OC/C=C(/CC/C=C(/CCC(=O)C(=C)C)\C)\C)CCO
Compound: BE-32030A
SMILES: O=C1N(O)CCCCC1NC(=O)CC(OC(=O)C(NC(=O)C2(N=C(C3=C(O)C=CC=C3)OC2)C)CCCCN(O)C(=O)CCCCCCCCCCC)C
Compound: 5-Hydroxy-7-chlortetracycline
SMILES: ClC1=C2C(C(O)=C3C(=O)[C@]4(O)C(O)=C(C(=O)N)C([C@H]([C@@H]4[C@H]([C@@H]3[C@@]2(O)C)O)N(C)C)=O)=C(O)C=C1
Compound: Trichovirin II 4a
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)(CC)C)CCC(=O)N)(CC)C)C(C)C)(C)C)(C)C)(C)C
Compound: Aflaquinolone H
SMILES: O=C1NC2=C(C(O)=C(/C=C/[C@]3(C[C@](O)(C(=O)CC3)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=CC=C4
Compound: Childinin D
SMILES: O=C(O)C1=C(OC)C=C(OC)C=C1C(=O)C2=C(OC)C(OC)=CC(=C2)C
Compound: Javanicol A
SMILES: O1C2(O[C@H]3[C@@H]1CC(/C=C/C)C3)C=C(/C=C/C)[C@@H]([C@@H]2O)O
Compound: 10,11-oxidosqualene
SMILES: O1C(CC/C=C(/CCC=C(C)C)\C)(C)C1CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
Compound: S361A
SMILES: O=C(OC[C@H]1O[C@H](OC[C@@H](O)COC(=O)CCCCCCCCCCCCC(CC)C)[C@@H](O)[C@H]([C@@H]1O)O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)CCCCCCCCCCC(CC)C
Compound: Childinin E
SMILES: O=C(C1=C(O)C(OC)=CC(=C1)C)C2=CC(OC)=CC(=C2)O
Compound: Adxanthromicin A2
SMILES: O=C1C2=C(O)C(=CC=C2[C@](OO[C@]3(C4=C(C(=O)C5=C3C=CC(=C5O)C)C(=C(C(=O)O)C(=C4)O)C)C)(C)C6=C1C(=C(C(=O)O)C(=C6)OC7O[C@@H]([C@H](O)[C@@H]([C@H]7O)O)CO)C)C
Compound: Javanicol B
SMILES: O1C2(O[C@H]3[C@@H]1CC(/C=C/C)C3)C=C(/C=C/C)[C@H]([C@H]2O)O
Compound: (R)-2-Hydroxyputrescine dicinnamamide
SMILES: O=C(NC[C@H](O)CCNC(=O)/C=C/C1=CC=CC=C1)/C=C/C2=CC=CC=C2
Compound: YF-0200R-B
SMILES: O=C(O)/C=C/C=C/CCC(O)CC(O)CCO
Compound: Childinin F
SMILES: O=C1OC(=C(C)C(=C1)OC)CCCCC
Compound: 17-Hydroxy-8-desmethyl-isomigrastatin
SMILES: O=C1O[C@@H](/C(=C/[C@@H](C(=O)CCCC2CC(=O)NC(C2)=O)C)/C)[C@H]([C@H](O)[C@@H](O)C=CCCC=C1)C
Compound: 3-methoxy oxanthromicin
SMILES: O=C1C2=C(O)C(=CC=C2[C@](OO[C@]3(C4=C(C(=O)C5=C3C=CC(=C5O)C)C(=C(C(=O)O)C(=C4)O)C)C)(C)C6=C1C(=C(C(=O)O)C(=C6)OC)C)C
Compound: Javanicol C
SMILES: O1C(O[C@H]2[C@@H]1CC(/C=C/C)C2)(CC3=CC(O)=CC(=C3)O)C
Compound: Chartarlactam N
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)CCO
Compound: Sordaricin-1-glucose ester
SMILES: O=C(OC1OC(C(O)C(C1O)O)CO)C23C(=CC4C2(C[C@H]5[C@H](C3(C=O)C4)CC[C@H]5C)CO)C(C)C
Compound: DKxanthene 560
SMILES: O=C(NC(C(=O)O)C(O)C(=O)N)/C(=C/C=C/C=C/C=C/C=C/C=C/C(=C/[C@H]1N=C(/C=C/C=2NC=CC2)O[C@@H]1C)/C)/C
Compound: Childinin G
SMILES: O=C1OC(=CC(=C1C)OC)CCCCC
Compound: (+)-oxanthromicin E
SMILES: O=C1C2=C(O)C(=CC=C2C(C)(C)C3=C1C(=CC(=C3)O[C@H]4O[C@@H]([C@H](O)[C@@H]([C@H]4O)O)CO)C)C
Compound: Javanicol D
SMILES: O=C1C=C([C@H]2[C@@]3(O)C=C(/C=C/C)[C@@H]([C@H]3O[C@@H]2C)O)[C@@H]([C@H]1O)O
Compound: 11-oxo-ganoderiol 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)C)[C@@H](CCC(O)C(O)(CO)C)C)C
Compound: Zopfiellamide A
SMILES: O=C1N(C(CC(O)(C(=O)O)C(C)C)C(C1=C(O)/C=C/[C@@H]2[C@@H]3[C@@H](C=C[C@@H]2C)CCCC3)=O)C
Compound: Methyl 3-(4,5,6,8,8a,9-hexahydro-4-((E)-3-methylpent-1-enyl)-4H-furo[3,2-g]isochromen-6-yl)propanoate
SMILES: O=C(OC)CC[C@@H]1OC[C@H]2CC=3OC=CC3[C@@H]([C@@H]2C1)/C=C/C(CC)C
Compound: Rubiginone I
SMILES: O=C1C2=C(C(OC)=CC=C2)C(O)C34C1(O3)C=5C(=O)[C@@H](O)[C@@H](C)[C@H](C5C=C4)OC(=O)C
Compound: (+/-)-hemi-oxanthromicin D
SMILES: O=C1C2=C(O)C(=CC=C2C(O)(C)C3=C1C(=CC(=C3)O[C@H]4O[C@@H]([C@H](O)[C@@H]([C@H]4O)O)CO)C)C
Compound: Javanicol E
SMILES: O=C1C=C(/C=C/C)[C@@H]([C@]1(O)[C@@]2(O)C(=O)C=C(C2)/C=C/C)O
Compound: 7,8,9,10-tetrahydro-9-hydroxy-4-methoxy-9-propyltetracene-6,11-dione
SMILES: O=C1C=2C(C(=O)C3=C1C[C@](O)(CCC)CC3)=CC4=C(OC)C=CC=C4C2
Compound: WS-7338 C
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H]1CC=2C3=C(C=CC=C3)NC2)=O)CC(C)C)=O)CC(C)C)C)CCC(=O)O
Compound: Amidepsine E
SMILES: O=C(OC1=CC(OC)=C(C(=O)OC2=CC(O)=C(C(=O)N[C@H](C(=O)O)C)C(=C2)C)C(=C1)C)C3=C(OC)C=C(OC)C=C3C
Compound: (4E)-methyl 13-((16-(furan-3-yl) ethyl)-octahydro-7-hydroxy-4-((E)-23-methylbut-21-enyl)-2H-chromen-6-yl)-4-methylpent-4-enoate
SMILES: O=C(OC)CC/C(=C/C1C(O)CC2OCC(C(C2C1)/C=C/C(C)C)CCC=3OC=CC3)/C
Compound: (+)-oxanthromicin F
SMILES: O=C1C2=C(O)C=CC=C2[C@@](O)(C)C3=C1C(=C(C(=O)O)C(=C3)O)C
Compound: 5-epi-citreoviridin
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C/C=C/C=C/C(=C/[C@]2(O[C@H](C)[C@@]([C@H]2O)(O)C)C)/C
Compound: Epicoccin H
SMILES: S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)[C@@H](O)CC4=O)[C@@H]5[C@@H](O)[C@@H](O)CC([C@@H]5C2)=O)C
Compound: Neoplaether
SMILES: O=C(OC)C1=C(OC2=C(C(OC)=CC(=C2)C)C(=O)N)C(OC)=CC(=C1)O
Compound: Tsugicoline D
SMILES: O=C1[C@@H](O)[C@@]2([C@@H]3[C@@H](CC(C3)(C)C)C=C([C@H]12)C=O)C
Compound: Methyl 11-(4-((E)-15-(17-(furan-2-yl) ethyl)-28-hydroxy-24-methylhept-22-en-14-yl)-5,6,7,8,9,10,-octahydronaphthalen-7-yl) propanoate
SMILES: O=C(OC)CCC1=CC2C(CCC(C2)C(/C=C/C(C)C)C(CO)CCC=3OC=CC3)CC1
Compound: (+)-oxanthromicin G
SMILES: O=C1C2=C(O)C(=CC=C2[C@@](O)(C)C3=C1C(=C(C(=O)O)C(=C3)O)C)CO
Compound: 5-epi-isocitreoviridin
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C\C=C\C=C\C(=C\[C@]2(O[C@H](C)[C@@]([C@H]2O)(O)C)C)\C
Compound: (6SR,10SR)-6,10-dimethylbicyclo[4.4.0]decan-3-one
SMILES: O=C1CC2[C@@](CCC[C@H]2C)(C)CC1
Compound: 3-Ethoxy-1,3-dihydro-7-methoxy-6-methyl-5-<(3-methyl-2-butenyl)oxy>-1-oxo-4-isobenzofurancarbaldehyde
SMILES: O=C1O[C@H](OCC)C=2C1=C(OC)C(=C(OCC=C(C)C)C2C=O)C
Compound: 5,6,7,8,9,12-Hexahydro-11-isopentyl-10-methoxynaphtho [2,1-b]furan
SMILES: O1C2=C(C3C(CC(CCC(C)C)C(C3)OC)C=C2)C=C1
Compound: Penicitrinone B
SMILES: O=C1C(=C2C3=C(O[C@@H]([C@H]2C)C)C=4C(O)=C(C)C5=C(C4OC3=C1)OC(C)=C5C)C
Compound: Harzianol F
SMILES: O=C1[C@@H]2C([C@]3(CC[C@@](O)(C)[C@@H]4[C@]([C@@H]3C2)(CC4)C)[C@@H](C1)C)(C)C
Compound: Azanthromicin A
SMILES: O=C1C2=C(O)C(=CC=C2[C@](O)(C)C3=C1C(=NC(=C3)C)C)C
Compound: Aeruginosin IN652
SMILES: BrC1=C(O)C=CC(=C1)C[C@@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)O)C[C@H]2C(=O)NCCCCN=C(N)N)CC(C)C
Compound: Scopupyrone
SMILES: O=C1OC(=CC(=C1C)OC)[C@@H](CC(O)C)C
Compound: Harzianol G
SMILES: O[C@@]1([C@@H]2[C@]([C@@H]3C[C@@H]4[C@@H](O)C[C@H]([C@@]3(CC1)C4(C)C)C)(CC2)C)C
Compound: Emethallicin D
SMILES: S1S[C@]23N([C@@H]4[C@@H](OC(=O)[C@H](O)C5=CC=CC=C5)C=COC=C4C2)C([C@@]6(S1)N([C@@H]7[C@@H](OC(=O)CC8=CC=CC=C8)C=CC=C7C6)C3=O)=O
Compound: (+/-)-oxanthromicin G
SMILES: O=C1C2=C(O)C(=CC=C2[C@@](C=3C(=O)C4=C(C(=C(C(=O)C)C(=C4)O)C)C(C3)=O)(C)C5=C1C(=C(C(=O)O)C(=C5)O)C)C
Compound: Necthreonin A
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)[C@H](O)C)(CC)C)CC(C)C)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC(C)C)(C)C)C)[C@H](CC)C)(C)C
Compound: Agnestadride A
SMILES: O=C1OC2(O)C(C=3C(=O)OC(C3CCC2=C1C=CCC)=O)CCC
Compound: Musacin E
SMILES: O=C1OC([C@@H](O)/C=C/C)CC1
Compound: Tanikolide
SMILES: O=C1O[C@](CCC1)(CO)CCCCCCCCCCC
Compound: Harzianol H
SMILES: O[C@@]1([C@@H]2[C@]([C@@H]3C[C@]4(O)CC[C@H]([C@@]3(CC1)C4(C)C)C)(CC2)C)C
Compound: (22E,24R)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-one
SMILES: O=C1C=C2C=CC3=C4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)C[C@@H]4O)(C)CC[C@@]3([C@@]2(C)CC1)O
Compound: Thielavin D
SMILES: O=C(OC1=C(C(OC)=C(C(=O)O)C(=C1C)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C=C(O)C=C3C)C(=C2C)C)C
Compound: Necthreonin B
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)[C@H](O)C)(C)C)CC(C)C)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC(C)C)(C)C)C)[C@H](CC)C)(C)C
Compound: Enniatin H
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]1C(C)C)C)=O)C(C)C)=O)C(C)C)C)C(C)C)C(C)C)C)[C@H](CC)C
Compound: Atranone I
SMILES: O=C1O[C@@]2([C@H](CC=C([C@H]3O[C@](O)(C)[C@@H]4[C@H]3C(=C(CC2)C)OC4=O)C)C(=C1O)C(C)C)C
Compound: Harzianol I
SMILES: O[C@@]1([C@@H]2[C@]([C@@H]3C[C@@H]4CC[C@H]([C@@]3(CC1)C4(C)C)C)(CC2)C)C
Compound: (22E,24R)-9alpha,11alpha-epoxyergosta-7,22-diene-3beta,5alpha,6alpha-triol
SMILES: O1[C@]23C(=C[C@H](O)[C@@]4([C@@]2(CC[C@@H](C4)O)C)O)[C@@H]5CC[C@@H]([C@]5(C[C@@H]13)C)[C@@H](/C=C/[C@@H](C(C)C)C)C
Compound: Necthreonin C
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)[C@H](O)C)(CC)C)CC(C)C)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC(C)C)(C)C)C)C(C)C)(C)C
Compound: Chaetochromone B
SMILES: O=C1C2=C(OC=C1C=C[C@@H](OC)C)C=C(O)C(=C2)O
Compound: Sansanmycin L
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC=3C4=C(C=CC=C4)NC3)CC5=CC=CC=C5)[C@@H](N(C(=O)[C@H]6NCC=7C=CC(=CC7C6)O)C)C)/C[C@H]2O
Compound: Melanoxazal
SMILES: O=C/C(=C/C=1N=COC1)/[C@@H](O)C
Compound: Harzianol J
SMILES: O=C1[C@@H]2C([C@]3(CC[C@@H](C)[C@@H]4[C@]([C@@H]3C2)(CC4=O)C)[C@@H](C1)C)(C)C
Compound: Malabetaezindole A
SMILES: O=C1N[C@H](C(=O)O)CC2=C(C1C=3C4=C(C=CC=C4)NC3)NC=5C=CC=CC25
Compound: 3,4-dimethoxy-1-naphthamide
SMILES: O=C(N)C=1C=2C(C(OC)=C(C1)OC)=CC=CC2
Compound: Agripilol B
SMILES: O[C@]1([C@@H]([C@@]2([C@H](C(CCC2)(C)C)CC1)C)CO)CO
Compound: Necthreonin D
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)[C@H](O)C)(CC)C)CC(C)C)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C)C)[C@H](CC)C)(C)C
Compound: (24E)-3-oxo-7alpha,15alpha,26-trihydroxylanosta-8,24-diene
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/CO)\C)C)C[C@@H]4O)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C
Compound: Tsugicoline F
SMILES: O=C(O)C=1OC=C2C1C(=C3[C@@H](CC(C3)(C)C)C2)C
Compound: (2S,3R)-2-[(14S)-14-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@@H](OC2OC(C(O)C(C2OC3OC(C(O)C(C3OC4OC(C(O)C(C4O)O)CO)O)CO)O)CO)C)[C@@H](C1=C)C(=O)O
Compound: P-O-(3,3-dimethylallyl)benzamide
SMILES: O=C(N)C1=CC=C(CC=C(C)C)C=C1
Compound: Sansanmycin I
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC=3C4=C(C=CC=C4)NC3)CC5=CC=CC=C5)[C@@H](N(C(=O)[C@@H](N)CC6=CC(O)=CC=C6)C)C)/C[C@H]2O
Compound: Piptolinic acid D
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC=C(C)C)C(C4)=O)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Cepacidine A1
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)C(O)C(=O)N)=O)CO)CC(=O)O
Compound: (24E)-3beta-acetoxy-15alpha,26-dihydroxylanosta-8,24-diene
SMILES: O=C(O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/CO)\C)C)C[C@@H]4O)(C)CC3)C)CC2)(C)CC1)(C)C)C
Compound: Citreamicin epsilon
SMILES: O=C1N2C(OC(C2(CO)C)=O)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(O)C(OC)=CC=C7OC6C(=C5CCC4C3)O)C
Compound: Seco-penicitrinol A
SMILES: O=C1C2=C(O)C(=C3[C@H](C)[C@H](OC3=C2OC4=C1C(=C(C)C(=C4)O)[C@@H]([C@H](O)C)C)C)C
Compound: Piptolinic acid A
SMILES: O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@H](OC(=O)C[C@@](O)(CC(=O)OC)C)CC4)(C)C)CC3)C)=C[C@@H]2OC)(C)CC1)C)C)C
Compound: Graphiumin D
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=COC4)[C@@H]5[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C5C2)C
Compound: (24E)-3beta-acetoxy-7alpha,15alpha,26-trihydroxylanosta-8,24-diene
SMILES: O=C(O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/CO)\C)C)C[C@@H]4O)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C)C
Compound: A-74528
SMILES: O=C1OC(=CC(=C1)O)C[C@]23C4=C(O)C=5C(O)=CC(=CC5[C@H]2C(=O)C=6C(O)=CC(=C7C6[C@H]3[C@@H]([C@@H](O)[C@@H]7C)CC4=O)O)O
Compound: Rubetaulanobiline B
SMILES: O=C1OCC2=C1C=C3[C@H](CC(C3)(C)C)[C@H]([C@H]2O)C
Compound: Tetrapetalone D
SMILES: O=C1C=C2N3C(=O)[C@@](O)(C)C(C3(C=C([C@H]4[C@]2(O)C(=C1)[C@@H](O[C@@H]5O[C@@H]([C@H](O)CC5)C)[C@@H]4C)C)C(OC(=O)C)C)=O
Compound: Piptolinic acid B
SMILES: O=C(O)[C@@H](C1[C@@]2([C@@](C3=C([C@]([C@H](C(=C)C)CC3)(CCC(=O)O)C)CC2)(C)CC1)C)CCC(=C)C(C)C
Compound: 4-chlorocurvularin
SMILES: ClC1=C2OC3=C(C(O)=CC(=C3)C)C(C2=C(C(=O)OC)C=C1O)=O
Compound: (24E)-3beta,7alpha,15alpha,26-tetrahydroxylanosta-8,24-diene
SMILES: O[C@H]1C2=C([C@]3(CC[C@@H](C([C@@H]3C1)(C)C)O)C)CC[C@]4([C@]2([C@@H](O)C[C@@H]4[C@@H](CC/C=C(/CO)\C)C)C)C
Compound: Violapyrone H
SMILES: O=C1OC(=CC(=C1C)O)CCCCCC(C)C
Compound: Boletinin D
SMILES: O[C@H](C(=C)CO)CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C
Compound: Ornibactin C8
SMILES: O=C(O)C(O)C(NC(=O)C(N)CCCN(O)C(=O)CC(O)CCCCC)C(=O)NC(C(=O)NC(C(=O)NCCCCN)CCCN(O)C=O)CO
Compound: Piptolinic acid C
SMILES: O=C(O)[C@@H](C1[C@@]2([C@@](C3=C([C@]([C@H](C(=C)C)CC3)(CCC(=O)OC)C)CC2)(C)CC1)C)CCC(=C)C(C)C
Compound: (E)-chloromonilinic acid C
SMILES: Cl/C(/C=1OC2=C(C(O)=CC(=C2)C(=O)O)C(C1CC(=O)OC)=O)=C/C(=O)O
Compound: (24E)-3beta-acetoxy-15alpha,26-dihydroxylanosta-7,9(11),24-triene
SMILES: O=C(O[C@@H]1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/CO)\C)C)C[C@@H]4O)(C)CC3)C)=CC2)(C)CC1)(C)C)C
Compound: Lyngbyastatin 2
SMILES: O=C1N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)N3[C@@H](CCC3)C(O[C@@H](CCC[C@H]([C@H](C(O[C@@H]([C@H](CC=C(C(=C1)OC)C)C)C)=O)C)O)CC)=O)C(C)C)C)CCC2)COC)C)C(C)C)C)[C@H](CC)C)C
Compound: Helminthosporal acid
SMILES: O=C(O)C1[C@@]2(C(C)=C([C@H]1[C@@H](C(C)C)CC2)C=O)C
Compound: 4-chlorocurvularinic acid
SMILES: ClC1=C2OC3=C(C(O)=CC(=C3)C(=O)OC)C(C2=C(C(=O)O)C(=C1)O)=O
Compound: (4E,6Z)-N-(5,5-dimethyl-2-oxofuran-3-yl)-3-hydroxy-8-(3-octyloxiran-2-yl)octa-4,6-dienamide
SMILES: O=C1OC(C)(C)C=C1NC(=O)CC(O)/C=C/C=C\CC2OC2CCCCCCCC
Compound: Piptolinic acid E
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](C(=O)O)C/C=C/C(O)(C)C)[C@@H](C4)O)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Scleramide
SMILES: O=C1N([C@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(NCC(N[C@H]1CC2=CC=CC=C2)=O)=O)CC3=CC=CC=C3)C)CCC(=O)N)CC4=CC=CC=C4)C
Compound: 11-Deoxydiaporthein A
SMILES: O1[C@@]2(O)[C@@]3(O)C(CCC[C@]3(C1)[C@@]4(O)CC[C@@](C=C4[C@H]2O)(C=C)C)(C)C
Compound: (24E)-3beta,15alpha,26-trihydroxylanosta-7,9(11),24-triene
SMILES: O[C@@H]1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/CO)\C)C)C[C@@H]4O)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Luminacin G1
SMILES: O=C(C1=C(O)C(=C(O)C(=C1)CC(C)C)C=O)C(C2O[C@@H](O)C3(O[C@H]3CC)[C@@H](C2)O)CC(C)C
Compound: Climacomontanetate
SMILES: O=C(OC(C(=CCOC(C(O)C(O)C(O)CO)CO)C)CC(O)C(O)(CCC=C(C)C)C)C
Compound: Spiroganocalitone A
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@]4([C@]3(C1)C)O[C@]5(OC(=O)[C@H](C5)C)C[C@H]4C)C)CC[C@@H]6[C@@]2(CCC(C6(C)C)=O)C
Compound: Yaequinolone J1
SMILES: O=C1NC2=C(C=3O[C@](C=CC3C=C2)(CCC=C(C)C)C)[C@]([C@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: Concanamycin C
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H](C)[C@@H]([C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)CC)O)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@H](/C=C/C)[C@@H](C)[C@@H](C2)O[C@@H]3O[C@@H]([C@@H](O)[C@@H](C3)O)C)O)C)C
Compound: (-)-drimenol
SMILES: OC[C@H]1C(=CCC2[C@@]1(CCCC2(C)C)C)C
Compound: Spiroganocalitone B
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@]4([C@]3(C1)C)O[C@]5(OC(=O)[C@H](C5)C)C[C@H]4C)C)[C@@H](O)C[C@@H]6[C@@]2(CCC(C6(C)C)=O)C
Compound: (24E)-7alpha,15alpha-dihydroxy-3-oxolanosta-8,24-dien-26-AL
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/C=O)\C)C)C[C@@H]4O)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C
Compound: Climacomontaninate A
SMILES: O=C(N[C@@H](C(=O)OC)C)C1=NC=C(CCCC)C=C1
Compound: Spiroganocalitone C
SMILES: O=C1C2=C([C@@]3([C@@H](OC(=O)C)C[C@]4([C@]3(C1)C)O[C@]5(OC(=O)[C@H](C5)C)C[C@H]4C)C)CC[C@@H]6[C@@]2(CCC(C6(C)C)=O)C
Compound: Levantilide C
SMILES: O=C1OC(C(CC(C=C(CC(C(O)C(C(CC(CC=CC=C1)O)O)(O)C)C)C)C)C)CCCC(O)CC