MonarchInit/C3PO huggingface dataset:
Compound: 19-methoxyl-xiamycin
SMILES: O=C(O)[C@@]1([C@@H](O)CC[C@]2([C@H]1CC(OC)C3=C2C=C4C5=C(C=CC=C5)NC4=C3)C)C
Compound: Occidiofungin A
SMILES: O=C1N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N)C(NCC(CC(CC(N[C@H](C(N[C@H]1C(O)C2=CC=C(O)C=C2)=O)CC=3C4=C(C=CC=C4)NC3)=O)OC5OC[C@@H](O)[C@@H]([C@H]5O)O)OCCCC)=O)CO)CC(=O)N)CCCCN
Compound: Isocitreohybridone G
SMILES: O=C1C(=C(OC)[C@]2([C@]1(C(=O)OC)[C@@]3(C(C=C2C)[C@@]4(C=O)C(C([C@@H](OC(=O)C)CC4)(C)C)CC3)C)C)C
Compound: Aspinonediol
SMILES: O=C(/C=C/C(=C/[C@@H](O)C)/CO)C
Compound: Fusarisolin E
SMILES: O=C(O)/C=C(/C/C(=C/[C@@H](C(=O)OC)C)/C)\C
Compound: 19-hydroxyl-24-methyl ester-N-N-dixiamycin
SMILES: O=C(OC)[C@@]1([C@@H](O)CC[C@]2([C@H]1CCC3=C2C=C4C5=C(C=CC=C5)N(C4=C3)C6C7=C(C=C8[C@@]9([C@H]([C@](C(=O)O)([C@@H](O)CC9)C)CCC8=C7)C)C%10=C6C=CC=C%10)C)C
Compound: Stachybotrysin D
SMILES: S(=O)(=O)(OCC1=C(C=2O[C@]3([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC[C@H]3C)C)CC2C(=C1)O)C=O)O
Compound: Cytosporin A
SMILES: O=C1C(=C(C=O)[C@H]2OC(C)(C)[C@@H](CC32[C@@H]1O3)O)CCCCC
Compound: Desertomycin G
SMILES: O=C1OC(C(C(O)CCCN)C)CC=CC(O)CC(O)CC(O)C(C(O)C(C(O)CC(O)CC(O)C(C(O)C(O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)C=C(C(C(C=CC(C(C=CCCC(C(C(C(C=CC=C1C)C)O)C)O)C)O)C)O)C)C)C)C
Compound: Fornicin B
SMILES: O=C1O[C@](OC)(C2=C(O)C=CC(=C2)O)C=C1CC/C=C(/CCC=C(C)C)\C
Compound: 5-methyl-3-(2-methylbutyl)-6-pentan-2-ylpyran-2-one
SMILES: O=C1OC(=C(C)C=C1CC(CC)C)C(CCC)C
Compound: Stachybotrysin E
SMILES: O=C(OCC1=C(C=2O[C@@]3(C(=C)CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)CC2C(=C1)O)C=O)C
Compound: (1S,2R,4R,10S,11R,14S)-11-hydroxy-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
SMILES: O=C1OC[C@@]23O[C@@H]2[C@H]4OC([C@@]5(C4[C@@](C3=C1)([C@H](O)CC5)C)C)=O
Compound: Biverlactone B
SMILES: O=C/1O[C@H](/C(=C/C(CCCCCC)C)/C)[C@@H](O)C\C1=C\CC(=O)O
Compound: (-)-2'R-1-hydroxyisorhodoptilometrin
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=C(C[C@H](O)C)C3)C(O)=C(O)C=C2O
Compound: 2-n-octyl-4-hydroxyquinoline
SMILES: O=C1C2=C(NC(=C1)CCCCCCCC)C=CC=C2
Compound: Stachybotrysin F
SMILES: O=C(C[C@H]1OCC=2C1=C3O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)CC3=C(O)C2)C
Compound: Fuscopeptin B
SMILES: O=C1OC(C(NC(=O)/C(/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)/C(/NC(=O)CC(O)CCCCCCC)=C\C)CCC2)CC(C)C)C)C)C)C)C(C)C)C)C(C)C)C)C(C)C)=C/C)C(=O)NC(C(=O)NC(C(NC(C(NC1CC3=CC=CC=C3)=O)C(N)C)=O)C(N)C)C)C
Compound: 2alpha-hydroxydrimeninol
SMILES: O1[C@@H](O)[C@@H]2[C@@]3([C@H](C(C[C@@H](C3)O)(C)C)CC=C2C1)C
Compound: (11)-Cytochalasa-6,13,19-triene-1,21-dione-18-hydroxy-16,18-dimethyl-lO-phenyl-(6Z,13E,16S*,18S*,19E)
SMILES: O=C1C=C[C@](O)(C[C@H](C)CC=C[C@H]2[C@]13C(=O)N[C@@H]([C@H]3[C@@H](C)C(=C2)C)CC4=CC=CC=C4)C
Compound: 3-n-heptyl-3-hydroxy-1,2,3,4-tetrahydroquinoline-2,4-dione
SMILES: O=C1NC2=C(C=CC=C2)C([C@@]1(O)CCCCCCC)=O
Compound: 3-hydroxy microxanthone
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC(=C3O)O)C=C(C)C=C2O
Compound: 9'-[2-amino-3-(4"-O-methyl-alpha-ribopyranosyloxy)phenyl]nonanoic acid
SMILES: O=C(O)CCCCCCCCC1=C(N)C(OC2OCC(OC)C(C2O)O)=CC=C1
Compound: Stachybotrysin G
SMILES: O=C(C[C@@H]1OCC=2C1=C3O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)CC3=C(O)C2)C
Compound: Gerronemin C
SMILES: OC1=C(O)C=CC=C1CCCCCCCCCCCCCCC2=C(O)C(O)=CC=C2
Compound: Penicipyrone
SMILES: O=C1OC(=CC2=C1C[C@H]3[C@H](/C=C/C)CO[C@]3(O2)C)C
Compound: Methyl 6,8-dihydroxy-3-methyl-9-oxo-9H-xanthene-1-carboxylate
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC(=C3)C)C=C(O)C=C2O
Compound: Lansai E
SMILES: O=C1N(C(C(=O)NC1=O)=CC(C)C)C
Compound: 12'-hydroxy gymnastatin N
SMILES: O=C(NC(C(=O)O)CC1=CC=C(O)C=C1)/C=C/C(=C/C(CCCCCCO)C)/C
Compound: 6-demethyltetracycline
SMILES: O=C1C2=C(O)C3=C(O)C=CC=C3[C@H]([C@H]2C[C@@H]4[C@@]1(O)C(O)=C(C(=O)[C@H]4N(C)C)C(=O)N)O
Compound: Dudawalamide A
SMILES: O=C1O[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N2[C@@H](CCC2)C(N([C@@H](C(NCC(O[C@@H](C1(C)C)CCCC#C)=O)=O)CC3=CC=CC=C3)C)=O)[C@H](CC)C)C)C)C
Compound: Spirotenuipesine A
SMILES: O1[C@@H]2O[C@]3(CO)C[C@H]1C[C@@]3([C@@]24C=C[C@](O)(C)CC4)C
Compound: Cladosporamide A
SMILES: O=C1C(O)=C2C(=C(OC3=C2C(=O)NC3=C(C)C)O)C=C1
Compound: Lansai F
SMILES: O=C1N(C(=O)C(=CC2=CC=CC=C2)NC1=O)C
Compound: Communiol A
SMILES: O=C(O)CCC[C@H]1CO[C@@H](C1)[C@@H](O)CC
Compound: UK-2D
SMILES: O=C1OC(C(OC(=O)C(CC)C)C(CC2=CC=CC=C2)C(OCC1NC(=O)C3=NC=CC(=C3O)OC)=O)C
Compound: Dudawalamide B
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)N2[C@H](C(=O)N([C@H](C(N[C@H](C(O[C@H](C1(C)C)CCCC#C)=O)C)=O)CC3=CC=C(OC)C=C3)C)CCC2)CC4=CC=CC=C4)C)C(C)C
Compound: 13-Cyclopentyl-13-desmethyl-erythromycin
SMILES: O=C1O[C@@H]([C@@H]([C@H](O)[C@H](C(=O)[C@H](C)C[C@]([C@@H]([C@H]([C@@H]([C@H]1C)OC2OC(C(O)C(C2)(OC)C)C)C)OC3OC(CC(C3O)N(C)C)C)(O)C)C)C)C4CCCC4
Compound: Penicisteroid E
SMILES: O=C(O[C@@H]1[C@@H]([C@]2(C[C@H](O)[C@H]3[C@H]([C@@H]2C1)[C@@H](O)C=C4C[C@@H](O)CC[C@]34C)C)[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Compound: 11-(15-butyl-13-ethyl-tetrahydro-12-oxo-2H-pyran-13-yl) propyl-2-methylbenzoate
SMILES: O=C1O[C@H](C[C@@H]([C@H]1CCCOC(=O)C2=C(C=CC=C2)C)CCCC)CC
Compound: Dudawalamide C
SMILES: O=C1N[C@H](C(=O)N(C(C(=O)O[C@H](C(=O)N2C(CCC2)C(N(C(C(NCC(O[C@H](C1(C)C)CCCC#C)=O)=O)CC3=CC=CC=C3)C)=O)C(C)C)C(C)C)C)C(C)C
Compound: Pyralomicin 1c
SMILES: ClC1=C(O)C2=C(OC=3N([C@@H]4C=C([C@@H](O)[C@@H]([C@H]4O)O)CO)C(=CC3C2=O)Cl)C(=C1)C
Compound: Aspilactonol B
SMILES: O=C1O[C@@H]([C@@H](O)C)C=C1[C@H](O)[C@H](O)C
Compound: Inonotusin A
SMILES: O=C1OC(=CC(C[C@@]1(O)C)=O)/C=C/C2=CC(O)=C(O)C=C2
Compound: Penicisteroid D
SMILES: O=C(O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@H]2C1)CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Compound: 9-(tetrahydro-12-isopropyl-11-oxofuran-10-yl)-ethyl-4-ethoxy-2-hydroxybenzoate
SMILES: O=C1O[C@H](C(C)C)C[C@H]1CCOC(=O)C2=C(OCC)C=C(O)C=C2
Compound: Dudawalamide D
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N2[C@@H](CCC2)C(N([C@H](C(NCC(O[C@H](C1(C)C)CCCC#C)=O)=O)CC3=CC=CC=C3)C)=O)[C@H](CC)C)C(C)C)C)C(C)C
Compound: 3-methyl-5-isobutyl-1,2,4-trithiolane
SMILES: S1SC(C)SC1CC(C)C
Compound: Pestalasin D
SMILES: O=C1OC2=C(O)C=C(OC)C=C2C=C1C[C@H](O)CO
Compound: Penicisteroid F
SMILES: O=C(O[C@@H]1[C@@H]([C@]2(C[C@H](O)[C@H]3[C@H]([C@@H]2C1)[C@@H](O)[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]34C)C)[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Compound: 12-(aminomethyl)-11-hydroxyhexanyl-10-phenylpropanoate
SMILES: O=C(O[C@H]([C@@H](O)[C@@H](CN)CC)C)CCC1=CC=CC=C1
Compound: Laxaphycin E
SMILES: O=C/1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(CC)C)C(N[C@H](C(NCC(NC(CC(N[C@H](C(N\C1=C\C)=O)CCO)=O)CCCCCCC)=O)=O)CC(C)C)=O)C(CC)C)CC(C)C)CC3=CC=CC=C3)CCO)C[C@H](C2)O
Compound: Phomopsin F
SMILES: ClC1=C(O)C=2O[C@@]([C@H](NC(=O)[C@@H](NC([C@@H]([C@@H](C(=C1)C2)O)N(C)C)=O)C(=C)C)C(=O)N3[C@H](C(=O)N/C(/C(=O)N/C(/C(=O)O)=C/C(=O)O)=C(/CC)\C)C=CC3)(CC)C
Compound: Scopafungin
SMILES: O=C1OC(C(C=CC=CC(O)C(C(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(CCCC(C(C(C(C(C(C=CC(C1C)O)C)O)C)O)C)O)O)(O)C(O)C(C2)O)C)C)C(CC(CCC/C=C/CCCN(C(=N)N)C)C)C
Compound: (-)-(1R,4R,6S,7S)-2-caren-4,8-olide
SMILES: O=C1O[C@H]2C(C)=C[C@H]3[C@@]1([C@H]3C2)C
Compound: Penicisteroid G
SMILES: O=C(O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@H]2C1)[C@@H](O)[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]34C)C)[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Compound: Gunnilactam A
SMILES: O=C1N[C@H]([C@@]2(O)NC3=C(C(=O)N[C@H](C3)C)[C@H](C2)C(=O)N[C@H](CC[C@@H](C=C1)O)C)C
Compound: 7-(14-hydroxypropan-13-yl)-8-isobutyl-7,8-dihydrobenzo[c]oxepin-1(3H)-one
SMILES: O=C1OC[C@@H](CC(C)C)[C@@H](C2=C1C=CC=C2)[C@@H](CO)C
Compound: Sporormielloside
SMILES: O=C1C2=C(OC3=C1C(O)=CC(=C3)C)C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)=C(OC)C=C2O
Compound: Valinoctin A
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](O)[C@H](N)CCCCC)C(C)C
Compound: Luteoride E
SMILES: O=C(OC)/C(=N\O)/CC=1C2=C(C(=CC=C2)CC=C(C)C)NC1
Compound: 7-bromomethyl-12-methyltetraphene
SMILES: Cc1c2ccccc2c(CBr)c2ccc3ccccc3c12
Compound: 6'-hydroxy-3'-methoxy-mitorubrin
SMILES: O=C1C=2C(C=C(/C=C/C)OC2)=CC([C@@]1(OC(=O)C3=C(OC)C=C(O)C(=C3C)O)C)=O
Compound: Penicisteroid H
SMILES: O=C(O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@H]2C1)[C@@H](O)[C@@H](O)[C@H]4C[C@@H](O)CC[C@]34C)C)[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Compound: Parasiticein
SMILES: SCC(NC(=O)C(NC(=O)C(N)C(O)C)C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)C(O)C)CC(=O)O)CO)CC(C)C)C(CC)C)CO)C(C)C)CC(C)C)C)C(C)C)CC1=CC=C(O)C=C1)C)C)C(O)C)CCC(=O)N)CCC(=O)N)C(O)C)C(O)C)C(O)C
Compound: Oxopropaline B
SMILES: O=C(C1=NC=C(C)C2=C1NC=3C=CC=CC23)C(O)CO[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C
Compound: Gunnilactam B
SMILES: O=C1N[C@H]([C@@]2(O)NC3=C(C(=O)NC(=C3)C)[C@H](C2)C(=O)N[C@H](CC[C@@H](C=C1)O)C)C
Compound: Phellilin C
SMILES: O=C(O)C=C([C@@H]1OCC23[C@@H]1[C@@H]3C(CCC2)(C)C)C
Compound: Versicolactone G
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)CCC(OC)(C)C)C(=C1O)C3=CC=CC=C3
Compound: Phaseolorin A
SMILES: O=C1C2=C(O[C@](C1)([C@H]3OC(=O)C[C@@H]3CO)CO)C=CC=C2O
Compound: (-)-applanatumol H
SMILES: O=C1OC[C@@]2([C@]1(CC[C@@H]2O)CC(=O)C3=C(O)C=CC(=C3)O)CO
Compound: (3E,7E)-4,8-dimethyl-undecane-3,7-diene-1,11-diol
SMILES: OCC/C=C(/CC/C=C(/CCCO)\C)\C
Compound: Emeniveol
SMILES: O[C@@H]1[C@]([C@H]2[C@](C(=C)[C@H](CC=3C4=C(C=CC=C4)NC3)CC2)(C)CC1)(CCC=C(C)C)C
Compound: Sulfadixiamycin C
SMILES: S(=O)(=O)(C1=C2C(=CC3=C1NC=4C=CC=CC34)[C@@]5([C@H]([C@](C(=O)O)([C@@H](O)CC5)C)CC2)C)C6=CC7=C(NC8=C7C=C9[C@@]%10([C@H]([C@](C(=O)O)([C@@H](O)CC%10)C)CCC9=C8)C)C=C6
Compound: WAP-8294A2
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N(C(C(=O)NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(N(C1C(C)C)C)=O)CCCN)=O)CC=2C3=C(C=CC=C3)NC2)=O)CC(=O)N)=O)CCC(=O)O)=O)CCCN)=O)CC(C)C)CC4=CC=CC=C4)C)CO)C(O)C(=O)N)CO)CCCC(C)C
Compound: Phaseolorin B
SMILES: O=C1C2=C(O[C@](C1)([C@@H](O)[C@H]3COC(C3)=O)CO)C=CC=C2O
Compound: Gunnilactam C
SMILES: O=C1N[C@H](C(=O)C[C@H](C(=O)N[C@H](CC[C@@H](C=C1)O)C)C=2C(=O)NC(C)=CC2N)C
Compound: Trichocarotin A
SMILES: O=C1C(=CC[C@H]2[C@](C1)(C[C@@H](O)[C@]2(O)C(C)C)C)C
Compound: Phaseolorin C
SMILES: O=C1C2=C(O[C@](C1)([C@H]3OC(=O)C[C@@H]3COC(=O)C)CO)C=CC=C2O
Compound: Cyclohelminthol IV
SMILES: ClC1=C(/C=C/C)[C@@H](O)[C@@H]([C@H]1O)Cl
Compound: Neoviridogrisein II
SMILES: O=C1OC(C(NC(=O)C2=NC=CC=C2O)C(=O)NC(C(=O)N3C(C(=O)N(C)CC(N(C(C(NC(C(N(C1C4=CC=CC=C4)C)=O)C)=O)C(C(C)C)C)C)=O)CCC3)CC(C)C)C
Compound: Golmaenone
SMILES: O=C/1N[C@H](C(=O)N\C1=C/C(=O)C2=C(NC(=O)C(C=C)(C)C)C=CC=C2)C
Compound: Trichoderpyrone
SMILES: O=C1OC(=CC(=C1[C@@H](C=2C(=O)[C@](O)(C=C)CC2N)C)O)C
Compound: Trichocarotin B
SMILES: O=C1C(=CC[C@H]2[C@](C1)(C[C@@H](O)[C@]2(O)C(O)(C)C)C)C
Compound: Phaseolorin D
SMILES: O=C1C2=C(O)C=CC=C2C[C@@]3([C@]1(O)[C@@H](O)C[C@@H]([C@@H]3O)C)CO
Compound: Cochliomycin F
SMILES: O=C1O[C@H](CC=CC(=O)[C@H](O)[C@@H](CC=CC=2C1=C(O)C=C(OC)C2)O)C
Compound: Glycothiohexide alpha
SMILES: S1C(=O)C=2NC=3C=CC=C4C3C2CO[C@@H](C5NC(=O)C=6N=C(/C(/NC([C@@H](NC(C=7N=C(C=8C(C=9N=C([C@H](C1)NC(=O)C=%10N=C5SC%10)SC9)=NC(=C(O)C8)C=%11SC=C(N%11)C(=O)N)SC7)=O)[C@H](O)C)=O)=C(\OC)/C)SC6)[C@@H](O[C@@H]%12O[C@H]([C@@H](N(C)C)[C@](C%12)(O)C)C)C(OC4)=O
Compound: 2-hydroxy-5-methoxy-3-(3-oxobutan-2-yl)cyclohexa-2,5-diene-1,4-dione
SMILES: O=C1C(OC)=CC(=O)C(=C1[C@H](C(=O)C)C)O
Compound: Kohamamide A
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(N[C@H](C(O[C@H](C1(C)C)CCCC#C)=O)C)=O)CC(C)C)=O)[C@H](CC)C)C(C)C)C)C(C)C
Compound: Trichocarotin C
SMILES: O=C1C(=CC[C@H]2[C@](C1)(CC(=O)[C@]2(O)C(C)C)C)C
Compound: Phaseolorin E
SMILES: O=C1C2=C(O[C@@]3([C@]1(O)[C@@H](O)C[C@@H](C3=O)C)CO)C=CC=C2O
Compound: Tiglicamide B
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)O[C@H](C)[C@@H](C(N[C@H](C(N\C1=C/C)=O)C)=O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)/C(=C/C)/C)C(C)C)CC2=CC=C(O)C=C2)CC3=CC=CC=C3)CCC(=O)O
Compound: Chloriolin A
SMILES: ClCC(=O)[C@]1(C(=C[C@@H]2[C@H]1[C@@H](O)C(C)(C)C2)CO)C
Compound: Kohamamide B
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(N[C@H](C(O[C@H](C1(C)C)CCCC=C)=O)C)=O)CC(C)C)=O)[C@H](CC)C)C(C)C)C)C(C)C
Compound: Farnesylhydroquinone
SMILES: OC1=C(C=C(O)C(=C1)C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
Compound: Trichocarotin D
SMILES: O=C1[C@@]2(O[C@@H]2C[C@H]3[C@](C1)(C[C@@H](O)[C@]3(O)C(C)C)C)C
Compound: Coniochaetone B
SMILES: O=C1C2=C(OC3=C1[C@H](O)CC3)C=C(C)C=C2O
Compound: Ent-peniciherqueinone
SMILES: O=C1C(O)=C(C2=C3O[C@@H](C)C([C@@]3(O)C(C4=C2C1=C(O)C(OC)=C4O)=O)(C)C)C
Compound: Disydonol B
SMILES: O(C1=C(C=CC(=C1)CO)[C@@](O)(CCCC(C)C)C)C2=C(C=CC(=C2)CO)[C@](O)(CCCC(C)C)C
Compound: Kohamamide C
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(N[C@H](C(O[C@H](C1(C)C)CCCCC)=O)C)=O)CC(C)C)=O)[C@H](CC)C)C(C)C)C)C(C)C
Compound: Trichocarotin E
SMILES: O[C@@]1(C(O)(C)C)[C@@H]2[C@@](CC=C(CC2)C)(C)C[C@H]1O
Compound: Aspeverin
SMILES: O=C1O[C@]23C4=C(C=CC=C4)N=C2C(C)(C)[C@H]5[C@@](N1)([C@@H](N6[C@@H](CCC6)C5)C#N)C3
Compound: (+)-(3S,6S,7S,10S)-tremul-1-ene-10,11,12-triol
SMILES: O[C@@H]1C2=C([C@H](CC[C@@H]([C@@H]2CC1(C)C)C)CO)CO
Compound: 4-hydroxysclerodin
SMILES: O=C1OC(=O)C=2C(=O)[C@]3(O)C(C)(C)[C@@H](OC3=C4C2C1=C(O)C=C4C)C
Compound: 2,5-dihydroxy-4-(3-methylbut-3-en-1-ynyl)benzaldehyde
SMILES: O=CC1=C(O)C=C(C#CC(=C)C)C(=C1)O
Compound: Conionaphthalenediol
SMILES: O=C(O)/C=C/C=C(/C=C/C=C(/[C@H](O)[C@@H](C(=O)O[C@@H]1C2=C(C=CC(=C2C)C)[C@H](O)[C@@H](C1)C)C)\C)\C
Compound: Trichocarotin F
SMILES: O[C@]1([C@@H]2[C@@]([C@H](O)C=C(CC2)C)(C)C[C@H]1O)C(C)C
Compound: Theibetaenolactone B
SMILES: O=C1O[C@@H](C)[C@@H]2C1=C[C@H](O)[C@H](/C=C/C)O2
Compound: 24-epi-cyclocitrinol
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CCC3C(O)(/C=C/[C@@H](O)C)C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: Ent-isoherqueinone
SMILES: O=C1C2=C(O)C(OC)=C(O)C3=C2C(=C4O[C@H](C)C([C@@]4(C3=O)O)(C)C)C(=C1)C
Compound: Tetrathioaspirochlorine
SMILES: ClC1=C(O)C=C2O[C@@]34[C@H](C2=C1)SSSSC(C(N3OC)=O)NC4=O
Compound: Craterellone F
SMILES: O=C([C@]1(C(C=C[C@@H]2[C@@H]1[C@@H](O)C[C@H](C)C2)=C)C)CCO
Compound: Hypomurocin B-1
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)(C)C)C(C)C)(C)C)(C)C)(C)C
Compound: Trichocarotin G
SMILES: O=C(O)C1=CC[C@@]2(C[C@@H](O)[C@]([C@H]2CC1)(O)C(C)C)C
Compound: Usabamycin C
SMILES: O=C1N2[C@H](CNC3=C1C=CC=C3)C\C(\C2)=C/CC
Compound: 12-hydroxynorherqueinone
SMILES: O=C1C(O)=C(C2=C3O[C@@H](C)C([C@@]3(O)C(C4=C2C1=C(O)C(O)=C4O)=O)(C)C)C
Compound: Apo-heterobactin S2
SMILES: S(=O)(=O)(C1=C(O)C(O)=C(C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H]2C(=O)N(O)CCC2)CCCN=C(NC(=O)C3=C(O)C(O)=CC=C3)N)C=C1)C
Compound: Isoversiol A
SMILES: O=C1[C@]2([C@](OCC1)(C=C[C@@H]3[C@@H]2[C@@H](O)C[C@H](C)C3)C)C
Compound: Trichocarotin H
SMILES: O[C@]1([C@@H]2[C@@](C[C@@H](O)C(CC2)=C)(C)C[C@H]1O)C(C)C
Compound: 4-O-acetyl hygrophorone D14
SMILES: O=C1C=C[C@@H]([C@]1(O)C(=O)CCCCCCCCCCCCCC)OC(=O)C
Compound: Oxopropylisoherqueinone A/B
SMILES: O=C1C=2C3=C(C(=O)[C@@]4(O)C(C)(C)[C@H](OC4=C3C(C)=CC2O)C)C([C@@]1(O)CC(=O)C)=O
Compound: methyl geldanamycinate
SMILES: O=C1C(N)=CC(=O)C(=C1C[C@H](C[C@@H](OC)[C@@H](O)[C@@H](/C=C(/[C@@H](OC(=O)N)[C@H](OC)/C=C\C=C(\C(=O)OC)/C)\C)C)C)OC
Compound: Isoversiol B
SMILES: O=C1[C@]2([C@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)C)C)C
Compound: Ganorbiformin B
SMILES: O=C1C2=C([C@]3(CC[C@@H](C([C@@H]3C1)(C)C)OC(=O)C)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H]([C@@H](OC(=O)C)CC=C(C(=O)O)C)C)C)C
Compound: Trichocadinin A
SMILES: O=C(O)C1=C[C@H]2[C@@H](C(=C)CC[C@@H]2C(C)C)[C@@H](C1)O
Compound: L-2-Amino-4-(2-aminoethoxy)-butanoic acid
SMILES: O=C(O)[C@@H](N)CCOCCN
Compound: A21459 A
SMILES: S1C2=NC(=C1)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(NC(C(N(CC(NC2C)=O)C)=O)=C)=O)CC)CC=3C4=C(C=CC(=C4)OC)NC3)CC=5C6=C(C=CC=C6)NC5
Compound: Isoversiol C
SMILES: O=C1[C@]2([C@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C(O)[C@@H](C3)C)C)C
Compound: Divergolide T
SMILES: O=C1O[C@H](CC=C[C@@H](CCC(C=2C3=C([C@@]4([C@@H](C=C1C)C(=O)NC4=CC3=O)O)C=C(C)C2O)=O)CC)CC(C)C
Compound: Nocardiolactone
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC)[C@@H]1CCCCCCCCCCCCCCCCCC
Compound: Versixanthone J
SMILES: O=C1C2=C(O)C3=C(O)C(C4=C5O[C@@]6(C(C(=O)C[C@@H]([C@H]6O)C)=C(C5=C(O)C=C4)O)C(=O)OC)=CC=C3O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)CO
Compound: 7-methylguanosine
SMILES: C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Compound: 11′,12′-dehydroelaiophylin
SMILES: O=C1O[C@@H]([C@H](C=CC=CC(=O)O[C@@H]([C@H](C=CC=C1)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)O)C)C)C)[C@H]([C@@H](O)[C@@H](C=4O[C@@H]([C@@H](CC)[C@@H](C4)O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)O)C)C)C)C
Compound: Isoversiol D
SMILES: O=C1[C@]2([C@](OCC1)(C=C[C@@]3([C@@H]2[C@@H](O)C[C@@H](C3)C)O)C)C
Compound: Rezishanone C
SMILES: O=C1/C(=C(/O)\C=C\C=C\C)/[C@H]2[C@@](O)(C)C([C@@]1(C(OCC)C2)C)=O
Compound: Divergolide U
SMILES: O=C1O[C@H]([C@@H](O)C=C[C@@H](CCC(C=2C3=C([C@@]4([C@@H](C=C1C)C(=O)NC4=CC3=O)O)C=C(C)C2O)=O)CC)CC(C)C
Compound: Prenylgermacrene B
SMILES: C1(=C(CCC=C(C)C)C)CC=C(CCC=C(CC1)C)C
Compound: Versixanthone K
SMILES: O=C1C2=C(O)C3=C(C(C4=C(O)C=5C(O)=C6C(=O)C[C@H](C)[C@H]([C@]6(C(=O)OC)OC5C=C4)O)=CC=C3O)O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)CO
Compound: 4-[(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dienyl(9Z, 12Z)-9,12-octadecadienoate
SMILES: O=C(O[C@H]([C@](O)(C=C)C)CC=C(C)C)CCCCCCC/C=C\C/C=C\CCCCC
Compound: Divergolide W
SMILES: O=C1O[C@H](CC=C[C@@H](CCC(C=2C3=C([C@@]4([C@H](C=C1C)C(=O)NC4=CC3=O)O)C=C(C)C2O)=O)CC)CC(C)C
Compound: Lysodektose
SMILES: O1C(OC2OC(C(O)C(C2O)O)CO)C(O)C(O)C(C1COC3OC(C(O)C(C3N(O)C)O)CO)O
Compound: Isoversiol E
SMILES: O=C1[C@]2([C@](OCC1)(C=C[C@@H]3[C@@H]2C(=O)C[C@H](C)C3)C)C
Compound: Bis(2-hydroxyethyl) trisulfide
SMILES: S(SCCO)SCCO
Compound: Versixanthone L
SMILES: O=C1C2=C(O)C3=C(C(C4=C(O)C=5C(O)=C6C(=O)C[C@H](C)[C@H]([C@]6(C(=O)OC)OC5C=C4)O)=CC=C3O)O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)C
Compound: 18-O-demethylpederin
SMILES: O=C(N[C@@H](OC)[C@H]1O[C@@H](C(C)(C)[C@@H](C1)O)C[C@H](OC)CO)[C@@H](O)[C@@]2(O[C@@H]([C@H](C)C(C2)=C)C)OC
Compound: 3R*,4R*-dihydroxy-4-(4′-methoxyphenyl)-3,4-dihydro-2(Lif)-quinolinone
SMILES: O=C1NC2=C(C=CC=C2)[C@@]([C@@H]1O)(O)C3=CC=C(OC)C=C3
Compound: Pleurospiroketal C
SMILES: O=C1[C@@]2(OC(C1)(C)C)O[C@@H]3[C@@H](O)[C@](O)(C)CCC3=C2COC(=O)C
Compound: Versixanthone M
SMILES: O=C1C2=C(O)C3=C(C(C4=C5O[C@@]6(C(C(=O)C[C@@H]([C@H]6O)C)=C(C5=C(O)C=C4)O)C(=O)OC)=CC=C3O)O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)C
Compound: Altercrasin B
SMILES: O=C1N[C@H]([C@H](O)C)C([C@@]12C(=O)[C@]3([C@H]4[C@@H](C[C@H](C)CC4)C=C[C@H]3[C@@H]2C=C[C@H](O)C)C)=O
Compound: Spirograterpene A
SMILES: O=C(O)[C@@]1([C@H]2C3=C([C@]4([C@H]([C@H](O)C[C@H]4C)C)CC3)C[C@@]2(C)CC1)C
Compound: ethyl homononactyl homononactate
SMILES: O=C(O[C@H](C[C@H]1O[C@@H]([C@H](C(=O)OCC)C)CC1)CC)[C@H]([C@H]2O[C@@H](C[C@H](O)CC)CC2)C
Compound: Mirilactam A
SMILES: O=C1N[C@H](CC=CC=CC=C(C=CC=C[C@@H](C[C@@H]([C@H]([C@@H](CC=CC=CC=C1)O)O)O)O)C)C
Compound: Microsphaerophthalide G
SMILES: O=C1O[C@H](OC)C=2C1=C(OC)C(=C3OC(C)(C)OCC23)C
Compound: Talaraculone D
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(=O)OC
Compound: 3-benzylidene-2-methylhexahydropyrrolo [1,2-a] pyrazine-1,4-dione
SMILES: O=C/1N2[C@H](C(=O)N(\C1=C/C3=CC=CC=C3)C)CCC2
Compound: Altercrasin C
SMILES: O=C1NC(=O)[C@@]23[C@]1(O)[C@@H](C=C[C@H]2[C@@H]4C=C[C@H]5[C@H]([C@@]4(C3=O)C)CC[C@H](C5)C)C
Compound: Xanthomonasin A
SMILES: O=C1O[C@@]2([C@](O)(/C=C/C)CC3=C(C2=C1C(=O)CCCCC)OC(O)=C3C=O)C
Compound: Phoslactomycin H
SMILES: P(=O)(O[C@@H]([C@](O)(C=C[C@H](O)[C@@H](N(C)C)C=CC(=O)O)C)CC(O)C=CC=CC1CCCCC1)(O)O
Compound: Methyl-4,8-dimethylundecanate
SMILES: O=C(OC)CCC(CCCC(CCC)C)C
Compound: 1-Cyclohexyloctane
SMILES: C1(CCCCC1)CCCCCCCC
Compound: Altercrasin D
SMILES: O=C1[C@@]2(C(C=C[C@H]3[C@H]2CC[C@H](C3)C)=C[C@H]([C@]14C(=O)N[C@H](C4=O)[C@H](O)C)C=CC)C
Compound: Talaraculone E
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(OC)OC
Compound: Rhamnosyllactone B1
SMILES: O=C\1OCC(/C1=C(\O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)/C=C/C)CO
Compound: Pestalotiopisorin A
SMILES: O=C1O[C@@H]([C@@H](C)C=2C1=C(O)C(=CC2)/C=C/C(=O)O)C
Compound: Chromomycin SA2
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O[C@H]5O[C@@H]([C@H](OC)[C@@H](C5)O)C)C)C=C3C=C2C[C@H]([C@@H]1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](OC(=O)C(C)C)[C@](C8)(O)C)C)C)C)[C@H](OC)C(=O)O)C
Compound: Kocumarin
SMILES: O=C(O)C1=CC=C(/C=C\C2=CC=CC=C2)C=C1
Compound: Altercrasin E
SMILES: O=C1[C@@]2(C(C=C[C@H]3[C@H]2CC[C@H](C3)C)=C[C@H]([C@@]14C(=O)N[C@@H](C4=O)[C@H](O)C)C=CC)C
Compound: Talaraculone F
SMILES: O=C1C=C2C(=COC(=C2)/C=C/CO)[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Compound: (1S,2S,4S)-p-menthane-1,2,4-triol
SMILES: O[C@]1(C(C)C)C[C@H](O)[C@](O)(C)CC1
Compound: Mechercharmycin B
SMILES: O=C(OC)C=1OC=C(N1)C=2OC(C3=CC=CC=C3)=C(N2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)NC(C=4OC=C(N4)C=5OC=C(N5)C(=O)N)=C)C(C)C)[C@H](CC)C
Compound: Urnucratin C
SMILES: O=C1C2=C(OC)C=CC=C2[C@@]3(O[C@H]4[C@H]5O[C@H]5[C@H](C=6C4=C3C=CC6O)O)C=C1
Compound: Truncateol O
SMILES: O1[C@H]2C=C(C#CC(=C)C)[C@@H](O)[C@@H]3[C@]2(O3)C[C@@H]1C(O)(C)C
Compound: 6-epi-monanchorin
SMILES: O1[C@H]2N=C(N)N[C@@H]([C@@H]1CCCCC)CC2
Compound: Talaraculone A
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@@H](O)C
Compound: Halolitoralin 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]1C(CC)C)=O)C)=O)CC(C)C)C)CC(C)C)C
Compound: Kitamycin A
SMILES: O=C1O[C@H]([C@H](O)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Truncateol P
SMILES: O1[C@H]2C=C(C#CC(=C)C)[C@H](O)[C@@H]3[C@]2(O3)C[C@@H]1C(O)(C)C
Compound: XR586
SMILES: O=C(N1C(C(=O)NC(C(=O)NCC(=O)O)CC2=CC=CC=C2)CCC1)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C4N(C(=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)CC=5C6=C(C=CC=C6)NC5)(CC)C)CCC(=O)N)(C)C)C(CC)C)C(O)C)(C)C)CC(C)C)(C)C)CCC4)CCC(=O)N)(C)C)CC(C3)O)(CC)C
Compound: (7R)-(hydroxy(phenyl)methyl)-4H-pyran-4-one
SMILES: O=C1C=C(OC=C1)[C@H](O)C2=CC=CC=C2
Compound: Talaraculone B
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=O
Compound: (2E,8Z,11Z)-2-pentadecylideneheptadeca-8,11-dienal
SMILES: O=C/C(=C/CCCCCCCCCCCCCC)/CCCCC/C=C\C/C=C\CCCCC
Compound: Mactanamide
SMILES: O=C1N([C@H](C(=O)N[C@H]1CC2=C(O)C=CC=C2O)CC3=CC=CC=C3)C
Compound: Truncateol Q
SMILES: O1[C@@H]2[C@@]3(O[C@@H]3[C@H](O)\C(\C2)=C/C=C(C)C)C[C@@H]1C(O)(C)C
Compound: 132-hydroxy-(132-S)-phaeophytin A
SMILES: O=C(OC)[C@@]1(O)C(O)=C2C(=C3C=C4N=C(C=C5N=C(C=C6NC(=C1C2=N3)[C@H]([C@@H]6C)CCC(=O)OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)C(=C5C=C)C)C(=C4CC)C)C
Compound: (-)-3-(E)-bromomethylidene-10 beta-bromo-beta-chamigrene
SMILES: Br/C=C\1/C=C[C@]2(C(=C)CC[C@H](C2(C)C)Br)CC1
Compound: Chloropupukeanone A
SMILES: Cl[C@]12C(=O)C[C@]3(C(=O)OC)C([C@@]1(O)C(C4=C[C@H](O)[C@H]5[C@@]([C@@H]4OC(=O)C6=C(O)C=C(C)C=C6O)(O5)CC=C(C)C)=C[C@]2(C3)C)=O
Compound: Talaraculone C
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)CCC(=O)OC
Compound: BZR-cotoxin IV
SMILES: O=C1O[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)CC2=CC=CC=C2)=O)C)=O)[C@H](CC)C)CC3=CC=CC=C3)CC(C)C)C)C(C)C
Compound: Truncateol R
SMILES: O1[C@@H]2[C@@]3(O[C@@H]3[C@H](O)C(C2)=C=CC(=C)C)C[C@@H]1C(O)(C)C
Compound: Dokdolipid B
SMILES: O=C(O)C[C@H](O[C@@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)O)C)CCCCCCCCCCCCCC(=O)C
Compound: Trihomononactic acid lactone
SMILES: O=C1O[C@H]([C@@H]([C@H]2O[C@@H]([C@@H]1C)CC2)C)CCC
Compound: Brasiliamide D
SMILES: O=C(N1C(CN(C(=O)C)[C@H](C1)CC2=CC=CC=C2)CC3=CC(OC)=C4OCOC4=C3)C
Compound: Truncateol S
SMILES: O1[C@@H]2[C@@]3(O[C@@H]3[C@@H](O)C(C2)=C=CC(=C)C)C[C@@H]1C(O)(C)C
Compound: Janthinone
SMILES: O=C1OC2=C(C(O)=CC(=C2)C)C(C3=C1C=CC=C3OC)=O
Compound: Paecilomycin N
SMILES: O=C1O[C@H](C[C@@H]2C(=C(O)C(C2)=O)C[C@@H]3[C@@H](C=4C1=C(O)C=C(OC)C4)O3)C
Compound: Pyralomicin 1b
SMILES: ClC1=C2OC=3N(C(Cl)=CC3C(C2=C(O)C(=C1)C)=O)[C@@H]4C=C([C@@H](OC)[C@@H]([C@H]4O)O)CO
Compound: Radarin B
SMILES: OC1=CC=2NC=C(C2C=C1)C[C@@]3([C@@H]4[C@]([C@H]5[C@]([C@H]([C@@H](O)CC5)C)(C)CC4)(CC[C@H]3C)C)C
Compound: Dokdolipid A
SMILES: O=C(O)C[C@H](O[C@@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)O)C)CCCCCCCCCCCCC[C@H](O)C
Compound: (-)-Homononactic acid
SMILES: O=C(O)[C@@H](C1OC(C[C@@H](O)CC)CC1)C
Compound: Paecilomycin O
SMILES: O=C1O[C@H](C[C@H]2C(=C(O)C(C2)=O)C[C@@H]3[C@@H](C=4C1=C(O)C=C(OC)C4)O3)C
Compound: Truncateol U
SMILES: Cl[C@@H]1[C@@]2(O)[C@@H](OC(C)(C)[C@H](C2)O)CC([C@H]1O)=C=CC(=C)C
Compound: Beta-Muurolene
SMILES: C1(=CC[C@@H](C(C)C)[C@H]2[C@@H]1CC=C(C2)C)C
Compound: Stereumin S
SMILES: O=C1[C@]2(O)[C@H]3[C@@H](OC[C@H]2CO)C(=CC[C@@H]3[C@H](C1)C)C
Compound: Truncateol V
SMILES: O=C1C2=C(OC(C1)(C)C)C=C3C[C@@H](OC3=C2)C(O)(C)C
Compound: Dokdolipid C
SMILES: O=C(O)C[C@H](O[C@@H]1O[C@H]([C@H](O)[C@H]([C@H]1O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)O)C)CCCCCCCCCCCCC[C@H](O)C
Compound: Spirodihydrobenzofuranlactam V
SMILES: O=C1NC(=O)C=2C1=C(O)C3=C(OC4(C3)C5(C(C(C(O)CC5)(C)C)CCC4C)C)C2
Compound: Trichdermanone C
SMILES: O=C1/C(=C(\O)/C=C/C=C/C)/[C@@H]2[C@]3(O)CO[C@](C[C@@H]3[C@]1(C(=O)[C@]2(O)C)C)(O)CO
Compound: GE2270 C2b
SMILES: S1C2=NC(=C1COC)C(=O)NCC(=O)NC(C=3SC=C(N3)C=4SC=C(N4)C5=C(C6=NC(C(NC(C7=NC(C(NC2C(C)C)=O)=CS7)CC(=O)NC)=O)=CS6)C=CC(=N5)C=8SC=C(N8)C=9OCC(N9)C(=O)N%10C(C(=O)N)CCC%10)C(O)C%11=CC=CC=C%11
Compound: Paecilomycin P
SMILES: O=C1O[C@H](CC=CCC(=O)CCC=CC=2C1=C(O)C=C(O)C2)C
Compound: 2-((Z)-undec-4'-enyl)-4-hydroxyquinoline N-oxide
SMILES: OC=1C=2C([N+]([O-])=C(C1)CCC/C=C\CCCCCC)=CC=CC2
Compound: Cladosporisteroid A
SMILES: O=C1C=C2C=C[C@H]3[C@H]4[C@]([C@@H]([C@@](O)([C@H](O)[C@H](O)[C@@H](C(O)(C)C)C)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC1
Compound: Daidzein-4'-(2-deoxy-alpha-L-fucopyranoside)
SMILES: O=C1C(C2=CC=C(O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)O)C)C=C2)=COC4=C1C=CC(=C4)O
Compound: Chloptosin
SMILES: ClC1=C(C2=C(Cl)C=C3N[C@@H]4[C@@](C3=C2)(O)C[C@H]5C(=O)N[C@@H](C(=O)N6NCCC[C@H]6C(=O)N7NCCC[C@@H]7C(N[C@H](C(N[C@@H](C(N45)=O)[C@@H](O)C)=O)COC)=O)C(C)C)C=C8[C@]9(O)C[C@H]%10C(=O)N[C@@H](C(=O)N%11NCCC[C@H]%11C(=O)N%12NCCC[C@@H]%12C(N[C@H](C(N[C@@H](C(N%10[C@@H]9NC8=C1)=O)[C@@H](O)C)=O)COC)=O)C(C)C
Compound: Phellilin A
SMILES: O=C1C2=C(C(C)(C)CC1)C[C@@H](C2)C(=CC(=O)O)C
Compound: Dechloropochonin I
SMILES: O=C1O[C@@H](CC2=C(C=CC=C2)C(CC=3C1=C(O)C=C(O)C3)=O)C
Compound: Cladosporisteroid C
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3C(=O)C)C)[C@@]4([C@@H]1CC(OC)(OC)CC4)C
Compound: Nakienone B
SMILES: O=C1C(C(=CC=C)CO)=C[C@@H](O)CC1
Compound: 31-epiLolitrem B
SMILES: O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H]9O[C@H](C=C(C)C)OC([C@H]9O7)(C)C)C)O)C=C2)C[C@@H]%10[C@H]1C(OC%10(C)C)(C)C
Compound: Applanoxidic acid C
SMILES: O=C1C=C2[C@@]3([C@H](C(C(=O)CC3)(C)C)C[C@@H]4[C@]2(O4)[C@]5([C@]1([C@@H](C(CC(=O)CC(C(=O)O)C)C)CC5=O)C)C)C
Compound: Daidzein-7-(2-deoxy-alpha-L-fucopyranoside)
SMILES: O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=CC(=C3)O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)O)C
Compound: 4'-methoxymonocillin IV
SMILES: O=C1O[C@@H](CC=CCC[C@H](CC(CC=2C1=C(O)C=C(O)C2)=O)OC)C
Compound: (3R)-3-(2-hydroxypropyl)-6,8-dihydroxy-3,4-dihydroisocoumarin
SMILES: O=C1O[C@H](CC=2C1=C(O)C=C(O)C2)CC(O)C
Compound: 7-chloro-2,5,6-trimethoxy-6-methylspiro(benzofuran-2(3H),1-(2) cyclohexene)-3,4-dione
SMILES: ClC1=C(OC)C(OC)=CC2=C1OC3(C(OC)=CC(=O)C[C@H]3C)C2=O
Compound: Daidzein-4',7-di-(2-deoxy-alpha-L-fucopyranoside)
SMILES: O=C1C(C2=CC=C(O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)O)C)C=C2)=COC4=C1C=CC(=C4)O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)O)C
Compound: Panclicin A
SMILES: O=C1O[C@@H](C[C@@H](OC(=O)[C@@H](NC=O)C)CCCCCCC)[C@@H]1CCCCCCCC(C)C
Compound: Ergosterdiacid A
SMILES: O=C(O)[C@H]1[C@H]2C3=C4[C@@](CC[C@@H]3[C@]5(CC[C@@H](CC5=C2)O)C)(C)[C@H](C[C@@H]4[C@@H]1C(=O)O)[C@@H](/C=C/[C@@H](C(C)C)C)C
Compound: 4'-hydroxymonocillin IV
SMILES: O=C1O[C@@H](CC=CCC[C@H](CC(CC=2C1=C(O)C=C(O)C2)=O)O)C
Compound: Abybetaomicin G
SMILES: O=C1C=2C(=O)O[C@@]34C2O[C@@H]([C@H](O)[C@H]3/C(=N\O)/CC([C@H](C[C@H]1C)C)=O)[C@H](C)C4
Compound: BE-29602
SMILES: O=C(O[C@@H]1[C@@H](O)[C@]2(O[C@@H]([C@H]1O[C@@H]3O[C@@H]([C@H](O)[C@@H]([C@H]3O)O)COC(=O)/C=C/C=C\CCCCC)CO)OCC=4C2=C(O)C=C(O)C4)/C=C/C=C/CC(O)/C=C/C=C/CCCCC
Compound: Penicipyrroether A
SMILES: O=C1N[C@@]2(O)CC3=CC=C(C=C3)O[C@H]4[C@@H]5[C@H]6[C@](C1=C2)(O[C@@H](C)[C@]6(C=C(C)[C@H]5[C@@]7(C[C@H](C)C[C@@H]([C@@H]47)C)C)C)O
Compound: 4-acetylpyrenophorol
SMILES: O=C1O[C@@H](CC[C@H](O)C=CC(=O)O[C@@H](CC[C@@H](C=C1)OC(=O)C)C)C
Compound: Ergosterdiacid B
SMILES: O=C(O)[C@@H]1[C@H]2C3=C4[C@@](CC[C@@H]3[C@]5(CC[C@@H](CC5=C2)O)C)(C)[C@H](C[C@@H]4[C@H]1C(=O)O)[C@@H](/C=C\C(C(C)C)C)C
Compound: Citreobenzofuran B
SMILES: O1C2=C3C(=C(C)C=C2C(=C1)CO)CC[C@H]([C@@H]3C)O
Compound: 1-methyl-4-methylthio-beta-carboline
SMILES: S(C1=C2C(NC3=C2C=CC=C3)=C(C)N=C1)C
Compound: Sch 420789
SMILES: O=C1C=C2[C@@]([C@H](C(=O)O)CC[C@@H]2OC(=O)/C=C/C=C/C(CC(CC)C)C)(C)[C@@H](C1)C(C=O)=C
Compound: Pyrrospirone J
SMILES: O=C1N[C@@]2(O)CC3=CC=C(C=C3)O[C@H]4[C@@H]5[C@H]6C([C@]1(O[C@]6([C@@H]7O[C@]7(C)[C@H]5[C@@]8(C[C@H](C)C[C@@H]([C@@H]48)C)C)C)C2)=O
Compound: Epiplorantinone B
SMILES: O=C1C(=C2[C@@](CC2)(C)[C@@]3([C@H]1C[C@@](CO)(C)C3)O)C
Compound: 9-deoxy-PF1233 B
SMILES: O=C1N2[C@]3(NC=4C=CC=CC4[C@@]3(O)C[C@H]2C(=O)O[C@H]1CC5=CC=CC=C5)C(C=C)(C)C
Compound: Nocardiopsistin A
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=CC3)C=4C(=O)C=C(C(C)C)C(C4C=C2O)=O
Compound: (+)-8'-hydroxyabscisic acid
SMILES: CC(\C=C\[C@@]1(O)C(C)=CC(=O)C[C@]1(C)CO)=C\C(O)=O
Compound: Trichodermatide D
SMILES: O=C1C2=C(O[C@@H](C(=O)CCCCCC)CC2)C[C@H](C1)O
Compound: Alcalinaphenol A
SMILES: ClC1=C(OC)C(O)=C(O)C=C1C
Compound: Cephalimysin M
SMILES: O=C1N[C@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@@]13OC(C(O)CCCCC)=C(C3=O)C)O
Compound: Thiazomycin C
SMILES: S1C2=NC(=C1)C(=O)N[C@@H]3C=4SC=C(N4)C(=O)N[C@H](C=5SC=C(C6=C(C7=NC(C(N[C@H](C(NC2=C(OC)C)=O)[C@H](O)C)=O)=CS7)C=C(O)C(=N6)C=8SC=C(N8)C(=O)N)N5)COC(C9=C%10CO[C@@H]3[C@H](O[C@@H]%11O[C@H]([C@@H](N(C)C)[C@](C%11)(O)C)C)C(=O)OCC%12=C%10C(=CC=C%12)N9)=O
Compound: Nocardiopsistin B
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=CC3)C4=C(C(=O)[C@@](O)(C(C)C)CC4=O)C=C2O
Compound: 9-deoxy-PF1233 A
SMILES: O=C1N2[C@]3(NC=4C=CC=CC4[C@@]3(OC(=O)C)C[C@H]2C(=O)O[C@H]1CC5=CC=CC=C5)C(C=C)(C)C
Compound: L681512-4
SMILES: S(=O)(=O)(O[C@@H]1C([C@H]2[C@](C3=C(C4[C@]([C@@H](C(CCC5(OC5)C(O)(C)C)C)CC4)(C)[C@H]([C@@H]3O)OC(=O)C)CC2)(C)C[C@H]1OC(=O)CCCCCCCCCCCCCCCO)(C)C)O
Compound: (4S,5R)-5-[(alpha-D-glucopyranosyl) oxy]-4-hydroxy-3-(E-1-propenyl)-2-cyclopenten-1-one
SMILES: O=C1C=C(/C=C/C)[C@@H]([C@H]1OC2OC(C(O)C(C2O)O)CO)O
Compound: Cephalimysin N
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)C([C@@]13OC(C=4OC(CC)=CC4)=C(C3=O)CO)O
Compound: 12-epi-Hapalindole G
SMILES: ClC1C(C=C)(C([N+]#[C-])C2C=3C=4C(=CC=CC4C(C2C1)(C)C)NC3)C
Compound: Nocardiopsistin C
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=CC3)C=4C(=O)C[C@](O)(C(C)C)CC4C=C2O
Compound: Seco-PF1233 B carboxylic acid
SMILES: O=C1NC=2C(O)=CC=CC2[C@@]1(C(C=C)(C)C)C[C@H](NC(=O)[C@@H](O)CC3=CC=CC=C3)C(=O)O
Compound: Penicibenzoxepinol
SMILES: O1CC2=C(O)C=CC=C2C=CC1
Compound: Marfuraquinocin D
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C(O)C3=C2O[C@H](CO)[C@@]3(CCC4C(=C)CCCC4(C)C)C
Compound: Asperspin A
SMILES: O1C2=C(C(=CC=C2C[C@@H]1C(O)(C)C)/C=C/COC)CO
Compound: Eutyperemophilane A
SMILES: O=C1[C@@H]2[C@@]([C@@H](C)CC1)(C[C@H]3[C@H](C)C(O[C@H]3C2)=O)C
Compound: Brevianamide Q
SMILES: O=C/1N2[C@@](O)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2
Compound: 18-bromo-9-hydroxy-12,13-trans-epoxy-(10E,15Z)-octadeca-10,15-diene-17-ynoic acid methyl ester
SMILES: BrC#C/C=C\C[C@@H]1O[C@H]1/C=C/[C@H](O)CCCCCCCC(=O)O
Compound: 9-deoxy-seco-PF1233 B carboxylic acid
SMILES: O=C1NC=2C=CC=CC2[C@@]1(C(C=C)(C)C)C[C@H](NC(=O)[C@@H](O)CC3=CC=CC=C3)C(=O)O
Compound: ICM0301 G
SMILES: O=C(/C(=C/C=C/[C@@H]1[C@H](/C(=C/C)/C)[C@]2(O[C@H]2[C@H]3[C@H]1C[C@@H](OC)[C@@](C3)(O)C)C)/C)C
Compound: Asperther A
SMILES: O=C(O)C1=C(OC[C@H](O)[C@H](O)CO)C=C(OC2=CC(O)=CC(=C2)C)C=C1C
Compound: JBIR-35
SMILES: ClC1=CC(O)=C2C(C=3OC[C@@](N3)(C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)CO)C)C)=CN(C2=C1)C
Compound: Eutyperemophilane B
SMILES: O=C1[C@@H]2[C@@]([C@@H](C)CC1)(C[C@H]3[C@H](C)CO[C@]3(C2)OC)C
Compound: Cordyol B
SMILES: O=C(OC)C1=C(O)C=C(OC2=CC(O[C@@H]3O[C@@H]([C@@H](OC)[C@@H]([C@H]3O)O)CO)=CC(=C2)C)C=C1C
Compound: 4,9-dideoxy-seco-PF1233 B carboxylic acid
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](O)CC1=CC=CC=C1)CC=2C3=C(C=CC=C3)NC2C(C=C)(C)C
Compound: Vineomycin E
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC(=C3O)C[C@@](O)(CC(=O)O)C)[C@@H]4O[C@@H]([C@H]5O[C@@H]6O[C@@H](C)[C@@H](C[C@@H]6O[C@@H]5C4)O)C
Compound: Epi-methylphelligrin A
SMILES: O=C1C2=C(O)C(=C(OC)C=C2O[C@@H](C1)C3=CC=C(O)C=C3)CC4=C(O)C=CC=C4
Compound: (5-hydroxy-2-oxo-2H-pyran-4-yl)methyl acetate
SMILES: O=C1OC=C(O)C(=C1)COC(=O)C
Compound: Eutyperemophilane C
SMILES: O=C1[C@H](C(C)C)C[C@@]2([C@H](CCC([C@H]2C1)=O)C)C
Compound: Cyclo(Pro-Leu-Pro-Ile)
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(N[C@H]1[C@H](CC)C)=O)CCC3)CC(C)C)CCC2
Compound: Trichodermolide
SMILES: O=C1C(=C([C@@]2(C)[C@H]([C@@]1(OC2=O)C)CC(=O)CCCCC)CC(=O)CCCCC)C
Compound: Vineomycin F
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC(=C3O)C[C@@](O)(CC(=O)O)C)[C@@H]4O[C@@H]([C@H]5O[C@H](OC(=O)C)[C@@H](O[C@@H]5C4)CC(=O)O)C
Compound: Caracolamide A
SMILES: ClC(Cl)=CCCCCCC(=O)NCCC1=CC=CC=C1
Compound: methyl 2-[[(4R,6S,12R)-6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-4-yl]sulanyl]acetate
SMILES: S([C@H]1C(=O)[C@@H](O)CCCCC[C@H](OC(C1)=O)C)CC(=O)OC
Compound: 6-(aminomethyl)-3,4,5-trihydroxy-2-[(E)-3-hydroxy-2-[(2-hydroxy-12-methyltridecanoyl)amino]-18-methylnonadec-4-enoxy]oxane-2-carboxylic acid
SMILES: O=C(O)C1(OC(C(O)C(C1O)O)CN)OCC(NC(=O)C(O)CCCCCCCCCC(C)C)C(O)/C=C/CCCCCCCCCCCCC(C)C
Compound: Eutyperemophilane D
SMILES: O=C1[C@H](C(O)(C)C)C[C@@]2([C@H](CCC([C@H]2C1)=O)C)C
Compound: Curdepsidone B
SMILES: O=C1OC2=C(C(=CC(=C2)O)C)OC3=C1C(=C(OC)C(=C3[C@H](OC)C[C@@H](O)C(=O)OC)O)C
Compound: Emervaridone A
SMILES: O=C1C=C[C@@]2([C@H]3[C@]4([C@@]56[C@H](C(=O)OC5)[C@@H](O)[C@@](C4)(C)C([C@H]3C6=C)=O)CC[C@H]2C1(C)C)C
Compound: (18R)-O-B-D-glucopyranosyl-(1-3)-B-D-glucopyranoside of murolic acid
SMILES: O=C1O[C@H](CCCCCCCCCCCCC[C@H](OC2OC(C(O)C(C2O)OC3OC(C(O)C(C3O)O)CO)CO)C)[C@H](C1=C)C(=O)O
Compound: Dihydrotubingensin A
SMILES: O[C@@H]1[C@]2(C3=C(CC=4NC5=C(C4C3)C=CC=C5)CC[C@]2([C@H](C)CC1)C)CCC=C(C)C
Compound: Eutyperemophilane E
SMILES: O=C1[C@@H]2[C@@]([C@@H](C)[C@@H](C1)O)(C[C@@H](C(C)C)C(C2)=O)C
Compound: Sporaridin
SMILES: O=C1NC[C@@H](O)C[C@@H]1CC=2C3=C(C=CC=C3)NC2
Compound: Dendrodolide H
SMILES: O=C1O[C@@H](C[C@@H]2O[C@H]2[C@@H](O)CC=C[C@H](C1)O)C
Compound: Curdepsidone C
SMILES: O=C1OC2=C(C(=CC(=C2)O)C)OC3=C1C(=C(OC)C(=C3[C@@H](OC)C[C@@H](O)C(=O)OC)O)C
Compound: Emervaridone B
SMILES: O=C1C=C[C@@]2([C@H]3[C@]4([C@@]56C(C(=O)OC5)=C[C@@](C4)(C)C([C@H]3C6=C)=O)CC[C@H]2C1(C)C)C
Compound: Eutyperemophilane F
SMILES: O=C1[C@@H](O)[C@@H]2C(=O)CC[C@@H]([C@@]2(C)C[C@H]1C(C)C)C
Compound: Isoviocristin
SMILES: O=C1C=2C(=C(O)C3=C(O)C=C(C=C3C2)OC)C(=O)C=C1C
Compound: F2928-1
SMILES: O=C(OC)C1=CC[C@H]2[C@H](/C=C/C=C/C=C/C(=O)O)[C@](O)([C@@]3(O[C@H]3C(CC)C)C)[C@@]4([C@H]([C@@H]2C1)O4)C
Compound: Emervaridone C
SMILES: O=C1C=C[C@@]2([C@H]3[C@]4([C@@]56C(C(=O)OC5)=C[C@@](C4)(C)C([C@H]3[C@]76OC7)=O)CC[C@H]2C1(C)C)C
Compound: Curdepsidone D
SMILES: O=C1OC2=C(C(=CC(=C2)O)C)OC3=C1C(=C(OC)C(=C3[C@H](OCC)C[C@@H](O)C(=O)OC)O)C
Compound: Neonectriolide E
SMILES: O=C1O[C@@H]2C=3C(O[C@]4([C@@H]2C[C@@H](C)O4)C[C@@H]5OC(=O)CC5)=CC(=C6C3C1=C(O)C=C6C)OC
Compound: Eutyperemophilane G
SMILES: O=C1[C@@](O)(C(C)C)C[C@@]2([C@H](CCC([C@H]2C1)=O)C)C
Compound: Actamycin
SMILES: O=C1C(=C[C@@H]([C@@H](O)[C@H](C=C[C@@H](O)CC=C(C(=O)C[C@H](O)[C@H](C=CC=CC=CC(NC=2C(C(C=3C1=C(O)C(=CC3C2O)C)=O)=O)=O)C)C)C)C)C
Compound: Phoenistatin
SMILES: O=C1NC(C(=O)N2C(C(=O)NC(C(NC1(CC)C)=O)CCCCCC(=O)C3OC3)CCC2)CC4=CC=CC=C4
Compound: Curdepsidone E
SMILES: O=C1OC2=C(C(=CC(=C2)O)C)OC3=C1C(=C(OC)C(=C3[C@@H](OCC)C[C@@H](O)C(=O)OC)O)C
Compound: Varioxiranediol A
SMILES: O1[C@@H](C=2C=CC=C(C2C1)OC)C[C@@H](O)[C@@H](O)CCC
Compound: Iso-isariin B
SMILES: O=C1OC(C(CCCC)C)CC(=O)NCC(=O)N[C@@H](C(C)C)C(N[C@@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C)=O)CC(C)C)=O
Compound: Eutyperemophilane H
SMILES: O=C1[C@](O)(C(C)C)C[C@@]2([C@H](CCC([C@H]2C1)=O)C)C
Compound: (+)-3,4-Anhydroshikimic acid methyl este
SMILES: O=C(OC)C1=C[C@H]2O[C@H]2[C@@H](C1)O
Compound: Curdepsidone F
SMILES: O=C1OC2=C(C(=CC(=C2)O)C)OC3=C1C(=C(OC)C(=C3)O)C
Compound: Varioxiranediol B
SMILES: O1[C@@H](C=2C(OC)=CC=CC2C1)C[C@@H](O)[C@@H](O)CCC
Compound: Marinopyrone A
SMILES: O=C1OC(=C(C)C(=C1C)OC)/C=C/[C@H](CO)C
Compound: Fusaraisochromanone
SMILES: O=C1O[C@H]([C@@](O)(C)C=2C1=C(O)C=C(OC)C2C)C
Compound: Eutyperemophilane I
SMILES: O=C1[C@@](OO)(C(C)C)C[C@@]2([C@H](CCC([C@H]2C1)=O)C)C
Compound: 2,3-dihydroxypropyl (9E,11E)-13-oxooctadeca-9,11-dienoate
SMILES: O=C(OC[C@@H](O)CO)CCCCCCC/C=C/C=C/C(=O)CCCCC
Compound: Curdepsidone G
SMILES: O=C1OC2=C(C(=CC(=C2)O)C)OC3=C1C(=C(OC)C(=C3CO)OC)C
Compound: (11)-Cytochalasa-6,13,19-triene-1,21-dione-12,18-dihydroxy-16,18-dimethyl-lO-phenyl-(6E,13E,16S*,18S*,19E)
SMILES: O=C1C=C[C@](O)(C[C@H](C)CC=C[C@H]2[C@]13C(=O)N[C@@H]([C@H]3[C@@H](C)C(=C2)CO)CC4=CC=CC=C4)C
Compound: Antroquinonol V
SMILES: O=C1C(OC)=C(OC)[C@H](O)[C@@H]([C@H]1C)CC=C(CCC=C(CCC=C(CO)C)C)C
Compound: Ustusol C
SMILES: O([C@@H]1C=C([C@](O)(CO)[C@@]2([C@@H]1C(CCC2)(C)C)C)CO)C
Compound: Eutyperemophilane J
SMILES: O=C1[C@](OO)(C(C)C)C[C@@]2([C@H](CCC([C@H]2C1)=O)C)C
Compound: (3S)-5-hydroxy-8-O-methylmellein
SMILES: O=C1O[C@H](CC=2C1=C(OC)C=CC2O)C
Compound: 6-methoxy-4-methyl-1,3-dihydroisobenzofuran-1,5,7-triol
SMILES: O1[C@H](O)C=2C(O)=C(OC)C(=C(C2C1)C)O
Compound: Antroquinonol N
SMILES: O=C1C(OC)=C(OC)C(=O)C(=C1C/C=C(/CC/C=C(/C[C@H](O)C=C(C)C)\C)\C)C
Compound: (+/-)-8-epihydroxy-brevianamide R
SMILES: O=C/1N2[C@@](OC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@H](O)CC2
Compound: Torrubiellutin C
SMILES: O=C1N([C@H](C(=O)O[C@H]([C@@H]([C@H](OC(=O)C)[C@H](C=C([C@H]([C@@H](C=C1)C)O)C)C)C)C)CC2=CC=CC=C2)C
Compound: Eutyperemophilane K
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H](CCC([C@H]2C1)=O)C)C
Compound: Marasmal B
SMILES: O=C1O[C@H](O)[C@@H]2[C@@]13[C@H](C(CCC3)(C)C)CC=C2C=O
Compound: (2S, 3S, 4R)-2-[(2'R)-2'-hydroxyhexacosanoylamino]-1, 3, 4-octadecanetriol
SMILES: O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCCCCCC
Compound: Antroquinonol O
SMILES: O=C1C(OC)=C[C@H](O)[C@@H]([C@H]1C)CC=C(CCC=C(C[C@H](O)C=C(CO)C)C)C
Compound: Eutyperemophilane L
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H](CCC([C@H]2[C@@H]1O)=O)C)C
Compound: Boletocrocin E
SMILES: O=C(N[C@H](C(=O)O)C(C)C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@H](C(=O)O)CC(=O)O
Compound: (+/-)-7,8-epoxy-brevianamide Q
SMILES: O=C/1N2[C@](O)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@@H]5O[C@@H]5C2
Compound: Phomalairdenol A
SMILES: O[C@H]1C=C[C@@]23[C@@]1(CC(C)(C)[C@@H]2C[C@H]([C@H]3C)O)C
Compound: Paecilospirone
SMILES: O=C(C1=C2C(O[C@]3(OCC4=C3C=CC=C4O)[C@@H]([C@@H]2O)CCCCCCC)=CC=C1)CCCCCCCC
Compound: Antroquinonol P
SMILES: O=C1C(OC)=C(OC)[C@H](O)[C@@H]([C@H]1C)CC=C(CCC=C(C[C@H](O)C=C(CO)C)C)C
Compound: Eutyperemophilane M
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H]([C@H](O)CC([C@H]2C1)=O)C)C
Compound: (+/-)-8-hydroxy-brevianamide R
SMILES: O=C/1N2[C@](OC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@H](O)CC2
Compound: Phomalairdenol D
SMILES: O[C@H]1C=C[C@@]23[C@@]1(CC(C)(C)[C@@H]2CC[C@H]3C)C
Compound: Antroquinonol Q
SMILES: O=C1C(OC)=C(OC)[C@H](OC(=O)C)[C@@H]([C@H]1C)CC=C(CCC=C(C[C@H](O)C=C(CO)C)C)C
Compound: (18S)-18-O-B-D-Glucopyranosyl-(1-6)-B-D-glucopyranosideof protoconstipatic acid
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@@H](OC2OC(C(O)C(C2O)O)COC3OC(C(O)C(C3O)O)CO)C)[C@@H](C1=C)C(=O)O
Compound: phenanthrene-9,10-diol
SMILES: Oc1c(O)c2ccccc2c2ccccc12
Compound: Circumdatin A
SMILES: O=C1N2[C@H](C3=NC=4OC=CC(=CC4C(N3C5=C1C=C(OC)C=C5)=O)OC)CCC2
Compound: Eutyperemophilane N
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H](CCC([C@@H]2C1)=O)C)C
Compound: Sclerotiorin A
SMILES: ClC1=C2C(=COC(=C2)C=CC(=C[C@H](CC)C)C)[C@H]3C[C@](O[C@]3(C1=O)C)(OC)C
Compound: Salternamide C
SMILES: O=C1C(NC(=O)/C=C/[C@H](C[C@H](C=C(C)C)C)C)=C[C@](O)(CCCCC(=O)O)[C@H](C1)O
Compound: Antroquinonol R
SMILES: O=C1C(OC)=C(O)[C@H](C)[C@H]([C@H]1O)CC=C(CCC=C(C[C@H](O)C=C(CO)C)C)C
Compound: Aminoglycoside 66-40-C
SMILES: O1[C@@H]2OC(C=N[C@@H]3[C@@H](O[C@H]4OC(C=N[C@H]5[C@H]1[C@@H](O)[C@H](O[C@H]6OC[C@@](O)(C)[C@@H]([C@H]6O)NC)[C@@H](N)C5)=CC[C@H]4N)[C@H](O)[C@@H](O[C@H]7OC[C@@](O)(C)[C@@H]([C@H]7O)NC)[C@@H](C3)N)=CC[C@@H]2N
Compound: Aspergiterpenoid A
SMILES: O[C@@](C1=CC=C(CO)C=C1)(CCCC(C)C)C
Compound: Antroquinonol S
SMILES: O=C1C(OC)=C[C@H](O)[C@@H]([C@H]1C)C/C=C(/CC/C=C(/C[C@H]2OC(=O)[C@@H](C2)C)\C)\C
Compound: Amiclenomycin
SMILES: O=C(O)[C@@H](N)CCC1C=CC(N)C=C1
Compound: Eutyperemophilane O
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H](CCC([C@@]2(C1)O)=O)C)C
Compound: (5S,S)-5-methyl-3-(3-methylpentyl)furan-2(5H)-one
SMILES: O=C1O[C@@H](C)C=C1CC[C@H](CC)C
Compound: Phaseolinic acid
SMILES: O=C1O[C@@H](CCCCC)[C@H]([C@@H]1C)C(=O)O
Compound: Sclerotiorin B
SMILES: ClC1=C2C(=COC(=C2)C=CC(=C[C@H](CC)C)C)[C@H]3C[C@@](O[C@]3(C1=O)C)(OC)C
Compound: Penitropeptide
SMILES: O=C1N2[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(NCC(N[C@H]1CC4=CC=CC=C4)=O)=O)CC(C)C)CC=5C6=C(C=CC=C6)NC5)CCC3)CCC2
Compound: Antroquinonol T
SMILES: O=C1C(OC)=C(OC)[C@H](OC(=O)C)[C@@H]([C@H]1C)CC=C(CCC=C(C[C@H](O)C[C@H](C(O)O)C)C)C
Compound: Eutyperemophilane P
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H](CC[C@H]([C@H]2C1)O)C)C
Compound: Aspergiolide C
SMILES: O=C1OC2=C3C(C(=O)C4=C5C3=C1C(=O)[C@]6(C(=O)C7=C(O)C=C(O)C=C7C=C6C)C5=C(O)C=C4O)=C(O)C=C2C
Compound: Sclerotiorin C
SMILES: O=C1C=C2C(=COC(=C2)C=CC(=C[C@H](CC)C)C)[C@@H]3[C@]1(O[C@](OC)(C)C3)C
Compound: Credneric acid
SMILES: Cl/C=C(/C/C=C/CCC(=O)O)\CCC
Compound: Antroquinonol W
SMILES: O=C1C(OC)=C(OC)[C@H](O)[C@@H]([C@H]1C)CC=C(CCC=C(CCCC(CO)C)C)C
Compound: Secocycloheximide A
SMILES: O=C1/C(=C/C[C@H](CC(=O)O)CC(=O)N)/C[C@@H](C)C[C@@H]1C
Compound: Eutyperemophilane Q
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H](CC[C@@H]([C@H]2C1)O)C)C
Compound: Illudin I
SMILES: O=C1C2=C([C@](O)(C)C3([C@H]1C)CC3)C[C@](C2)(CO)C
Compound: Sclerotiorin D
SMILES: ClC1=C2C(C(=O)[C@](C1=O)(OC(=O)C)C)=CN(CCCC(=O)OC)C(=C2)C=CC(=C[C@H](CC)C)C
Compound: 2-chloro-4-nitrophenol
SMILES: ClC1=C(O)C=CC(=C1)[N+](=O)[O-]
Compound: Eutyperemophilane R
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H](CC[C@@H]([C@@H]2C1)O)C)C
Compound: Microginin GH787
SMILES: ClCCCCCCC[C@@H](N)[C@H](O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC1)[C@H](CC)C)C)CC3=CC=C(O)C=C3
Compound: Chelocardin
SMILES: O=C1C2=C(O)C3=C(O)C(=CC=C3C(=C2C[C@@H]4[C@@]1(O)C(O)=C(C(=O)[C@@H]4N)C(=O)C)C)C
Compound: Antroquinonol X
SMILES: O1C2=C(C(=C(O)C(=C2)OC)C)C=C[C@@]1(CCC=C(CCC=C(C)C)C)C
Compound: Sclerotiorin E
SMILES: ClC1=C2C(C(=O)[C@](C1=O)(OC(=O)C)C)=CN(CCCCN3C(=CC4=C(Cl)C(=O)[C@@](C(C4=C3)=O)(OC(=O)C)C)C=CC(=C[C@H](CC)C)C)C(=C2)C=CC(=C[C@H](CC)C)C
Compound: Xylariacyclone B
SMILES: O=C1C=C(OC)[C@H](O)[C@@]([C@H]1OC(=O)C)(O)C
Compound: (3-hydroxy-6-(3-(oleoyloxy)-2-(palmitoyloxy)propoxy)-4,5-bis(palmitoyloxy)tetrahydro-2H-pyran-2-yl)methanesulfonic acid
SMILES: S(=O)(=O)(O)CC1OC(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)C(C1O)OC(=O)CCCCCCCCCCCCCCC
Compound: Eutyperemophilane S
SMILES: O=C1[C@@H]2[C@@]([C@@H](C)CC1)(C[C@@H](C(C)C)[C@@H](C2)O)C
Compound: Guignardone C
SMILES: O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(=C)C)C)[C@@]4(O)C[C@@H]1OC4
Compound: N-glutarylchaetoviridin A
SMILES: ClC1=C2C(C3=C(C(=O)[C@H]([C@H](OC)C)C)C(O[C@@]3(C1=O)C)=O)=CN([C@H](C(=O)OC)CCC(=O)OC)C(=C2)/C=C/[C@H](CC)C
Compound: Antroquinonol U
SMILES: O=C1C(OC)=C(OC)[C@H](OC(=O)C)[C@@H]([C@H]1C)CC=C(CCC=C(C[C@H](O)C=C(C(=O)O)C)C)C
Compound: Fascicularone K
SMILES: O=C1[C@@]2([C@]3(O)[C@H]([C@H]4[C@@H]2CC4(C)C)O[C@H]([C@@H]1O)[C@H]3C)CO
Compound: Eutyperemophilane T
SMILES: O=C1[C@@H]2[C@@]([C@@H](C)CC1)(C[C@@H](C(C)C)[C@H](C2)O)C
Compound: Homospermidine Cmp-578
SMILES: O=C(N(CCCCNC(=O)CCCC)CCCCNC(=O)CCCC)CCCC/C=C/CCCCCCCC(C)C
Compound: Pestaloficiol D
SMILES: O=C1C2=C(OC(C1)(C)C)[C@@]3([C@@H](O)[C@H](C2)O)[C@H](C(O)(C)C)C3
Compound: Namalide B
SMILES: O=C1N[C@H](C(=O)NCCCC[C@H](C(N[C@H]1[C@@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CCC2=CC=C(O)C=C2
Compound: Elansolid A
SMILES: O=C1OC(C2=CC=C(O)C=C2)[C@@H]3[C@H](C(=C[C@@H]4[C@@H]3C(C[C@]4(O)C)(C)C)C)C=CC=CC=C[C@H]([C@@H]([C@@H](CC=C(C=C1)C)O)C)O
Compound: N-glutarylchaetoviridin B
SMILES: ClC1=C2C(C3=C(C(=O)C(=CC)C)C(O[C@@]3(C1=O)C)=O)=CN([C@H](C(=O)O)CCC(=O)O)C(=C2)/C=C/[C@H](CC)C
Compound: Eutyperemophilane U
SMILES: O=C1[C@H](C(C)C)C[C@@]2([C@H](CC[C@H]([C@H]2C1)O)C)C
Compound: ICM0301 H
SMILES: O=C(/C(=C/C=C/[C@@H]1[C@H](/C(=C/C)/C)[C@]2(O[C@H]2[C@H]3[C@H]1C[C@@H](O)[C@@](C3)(O)C)C)/C)C
Compound: Ganoderic acid T
SMILES: O=C(O)/C(=C/C[C@H](OC(=O)C)[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@H](OC(=O)C)CC4)(C)C)CC3)C)=CC2)(C)[C@H](C1)OC(=O)C)C)C)/C
Compound: Dihydrospumigin K
SMILES: O=C(N[C@@H](CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@H](NC(=O)C(O)CCC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)CC(C1)C
Compound: N-glutarylchaetoviridin C
SMILES: ClC1=C2C(C3=C(C(=O)C(=CC)C)C(O[C@@]3(C1=O)C)=O)=CN([C@H](C(=O)OC)CCC(=O)OC)C(=C2)/C=C/[C@H](CC)C
Compound: 3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-(4-hydroxybenzyl)-4-methyldihydrofuran-2(3H)-one
SMILES: O=C1OC(CC2=CC=C(O)C=C2)C(C1C3=CC(O)=C(CC=C(C)C)C=C3)C
Compound: Eutyperemophilane V
SMILES: O=C1C=C2[C@]([C@H](CC[C@@H]2O)C)(C)C[C@H]1C(C)C
Compound: Thraustochytroside B
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCC)\C)CO[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)CCCCCCCCCCCCCCC
Compound: Malbranpyrrole A
SMILES: O=C1C(=C(OC(=C1C)/C=C/C(=C/C=2NC=CC2)/C)OC)C(C=C)(C)C
Compound: Dihydrospumigin L
SMILES: O=C(N[C@H](CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@H](NC(=O)C(O)CCC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)CC(C1)C
Compound: 3,7,11-trihydroxycycloneran-10-one
SMILES: O=C(C(O)(C)C)CCC(O)([C@@H]1[C@H]([C@](O)(C)CC1)C)C
Compound: Vaccinol E
SMILES: O=C1O[C@@H]([C@H](O)C)C[C@@H](C=2C1=C(O)C=CC2CC=C(C)C)O
Compound: Eutyperemophilane W
SMILES: O=C1C=C2[C@]([C@H](CC[C@@H]2O)C)(C)C[C@@H]1C(C)C
Compound: Gallicynoic acid G
SMILES: O=C(O)CCC[C@H](O)C#C[C@H](O)CCCC
Compound: Quinolactacin B
SMILES: O=C1C2=C(N(C)C3=C1C(=O)N[C@H]3C(C)C)C=CC=C2
Compound: Dihydrospumigin M
SMILES: O=C(N[C@@H](CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@H](NC(=O)C(O)CCC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)CCC1
Compound: Cycloneran-3,7,10,11-tetraol
SMILES: O[C@@]1([C@@H]([C@@H](C(O)(CCC(O)C(O)(C)C)C)CC1)C)C
Compound: 5-hydroxyxanthotoxin
SMILES: COc1c2occc2c(O)c2ccc(=O)oc12
Compound: Eutyperemophilane X
SMILES: O=C1C=C2[C@]([C@H](CC[C@@H]2O)C)(C)C[C@]1(O)C(C)C
Compound: Myxochelin D
SMILES: O=C(N[C@H](CO)CCCCNC(=O)C1=C(O)C(OC)=CC=C1)C2=C(O)C(OC)=CC=C2
Compound: Salmoquinone
SMILES: O=C1C(OC)=CC(=O)C(=C1C)CC2=C(O)C(OC)=C(O)C(=C2)OC
Compound: (S)-3-Butyl-7-methoxyphthalide
SMILES: O=C1O[C@@H](CCCC)C=2C1=C(OC)C=CC2
Compound: Sesteralterin
SMILES: O=C1O[C@H]2C[C@H](C)[C@H]3C2=C1[C@]4(O)[C@@H]([C@@H](C)CC3)C[C@]5([C@H](O)C[C@@H]([C@@H]5C4)C(C)C)C
Compound: Eutyperemophilane Y
SMILES: O[C@]12[C@@]([C@H](CC[C@H]1O)C)(C[C@@H](C(=C)C)[C@@H](C2)O)C
Compound: Penicillenol D
SMILES: O=C1N(C(O)(CC)C(=C1C(=O)C(CCCCCCC)C)O)C
Compound: Cycloneran-3,7,11-triol
SMILES: O[C@@]1([C@@H]([C@@H](C(O)(CCCC(O)(C)C)C)CC1)C)C
Compound: Gilvsin C
SMILES: O=C1[C@H]([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H](O)CC(=C)C(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)C
Compound: Boletopsin 11
SMILES: O=C(OC1=C(C(OC)=C2OC3=C(C2=C1OC(=O)C)C=C(OC)C(=C3)OC)C4=CC=C(OC)C=C4)C
Compound: Tricycloalterfurene C
SMILES: O=C1C2=C(O[C@@]3(C[C@@H](O[C@@H]3C2)/C=C(/CCC(O)C(O)(C)C)\C)C)[C@@H](O)CC1
Compound: 11,12,15-trinorcycloneran-3,7,10-triol
SMILES: O[C@]1([C@H]([C@H]([C@](O)(CCCO)C)CC1)C)C
Compound: Eutyperemophilane Z
SMILES: O=C1[C@@H](C(C)C)C[C@@]2([C@H](CCC([C@@H]2C1)=O)C)C
Compound: Endophenazine A1
SMILES: O=C(O)C=1C2=NC=3C(=CC=CC3C/C=C(/CO)\C)N=C2C=CC1
Compound: Penicisochroman J
SMILES: O=C1C2=C(C(O)=CC=C2)CO[C@H]1C
Compound: Tricycloalterfurene D
SMILES: O=C1C2=C(O[C@@]3(C[C@@H](O[C@@H]3C2)/C=C(/CCC(O)C(O)(C)C)\C)C)CC[C@@H]1O
Compound: 7,10S-epoxycycloneran-3,15-diol
SMILES: O1[C@@]([C@H]2[C@@H]([C@@](O)(C)CC2)C)(CC[C@H]1C(CO)C)C
Compound: Rishirilide C
SMILES: O=C1C2=C(O)C=3C(=C(O)C=CC3)C=C2[C@](O)(CCC(C)C)[C@@]([C@H]1C)(O)C(=O)O
Compound: Exophialin
SMILES: O=C1OC=2C=C(O)C=3C(C2C1=C4C5=C(C=CC=C5)N=C4)=CC=CC3O
Compound: Indimicin C
SMILES: ClC1=CC=2C=3C=4C(=CNC4C)[C@@]5(C=6C=C(Cl)C=CC6N([C@@H]5C3NC2C=C1)C)C
Compound: Tricycloalterfurene A
SMILES: O=C1C2=C(O[C@@]3(C[C@@H](O[C@@H]3C2)/C=C(/CCC=C(C)C)\C)C)[C@@H](O)CC1
Compound: Lichenysin-G9a
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CC(=O)O)=O)C(CC)C)=O)C(CC)C)CCC(=O)N)CCCCCCCCC(CC)C
Compound: 7,10R-epoxycycloneran-3,15-diol
SMILES: O1[C@@]([C@H]2[C@@H]([C@@](O)(C)CC2)C)(CC[C@@H]1C(CO)C)C
Compound: Lupinacidin D
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=C(O)C(=C3O)C)CCC
Compound: Chromophenazine F
SMILES: O=C(N)C1=C2NC3=C(C=C(C(=O)C4=CC=CC=C4)C=C3)N(C2=CC(=C1)C(=O)C5=CC=CC=C5)CC=C(C)C
Compound: Tricycloalterfurene B
SMILES: O=C1C2=C(O[C@@]3(C[C@@H](O[C@@H]3C2)/C=C(/C/C=C/C(OO)(C)C)\C)C)[C@@H](O)CC1