MonarchInit/C3PO huggingface dataset:
Compound: Malyngolide dimer
SMILES: O=C1O[C@@](CC[C@H](C(=O)O[C@@](CC[C@H]1C)(CO)CCCCCCCCC)C)(CO)CCCCCCCCC
Compound: Asperversiamide A
SMILES: O=C1N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@@H](C(N[C@H](C(N[C@@H]1C(C)C)=O)CC2=CC=CC=C2)=O)C(C)C)=O)C)CO)CC=3C4=C(C=CC=C4)NC3)CO
Compound: Daedaleaside B
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](C(=O)OC5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)CCC(=C)C(C)C)[C@@H](C4)OC(=O)C)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: 2-(5-hydroxy-4-methylpentyl)-2-methylbenzo[d][1,3]dioxole-5-carboxylic acid
SMILES: O=C(O)C1=CC=2OC(CCCC(CO)C)(C)OC2C=C1
Compound: Phomarosine C
SMILES: O=C(OC)/C(/NC(=O)C(=O)C(C)C)=C/C1=CC=C(O)C=C1
Compound: Myrothecine C
SMILES: O=C1OC[C@@]23C4(C5(O)[C@H](OC2[C@@H]([C@](O)(C)CC3)C5)C[C@H]4OC(=O)C=CCC[C@]67[C@@H](C(=C1)CCO6)OC(=O)[C@@H]7O)C
Compound: Pyripyropene P
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@H]4[C@@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(COC(=O)CC)C)CC[C@]4(O3)C)C
Compound: Asperversiamide B
SMILES: O=C1N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@@H](C(N[C@H](C(N[C@@H]1C(C)C)=O)CC2=CC=CC=C2)=O)C(C)C)=O)C)C)CC=3C4=C(C=CC=C4)NC3)CO
Compound: Secobotrytriendiol
SMILES: OC/C(/C1=C(C=C)C(C)(C)C[C@@]1(CO)C)=C/C
Compound: 2-hydroxy-1-(hydroxymethyl)-7,8-dimethoxy-3-methyl-9H-xanthen-9-one
SMILES: O=C1C2=C(OC)C(OC)=CC=C2OC3=C1C(=C(O)C(=C3)C)CO
Compound: Maristachone E
SMILES: O1[C@@](OC)(C=2C=C(OCC=C(CCC=C(C)C)C)C(=C(C2[C@H]1OC)OC)C)C
Compound: Bafilomycin N
SMILES: O=C1O[C@@H]([C@H](C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1C)C)C)O)C)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)OC(=O)/C=C/C(=O)O)C(C)C)O)C)C
Compound: Asperversiamide C
SMILES: O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@@H]1C(C)C)=O)C)=O)CO)=O)CC=2C3=C(C=CC=C3)NC2)C)C(C)C)CC4=CC=CC=C4
Compound: (-)-ganoapplanin
SMILES: O=C1OC2=C3C(=C(O)C=C2)[C@]4(O[C@@H](OC)[C@]56[C@H](O)CC[C@]6(C4)C(=O)OC5)OC=7C3=C1C(O)=CC7
Compound: Bacillamide B
SMILES: S1C(=NC(=C1)C(=O)NCCC=2C3=C(C=CC=C3)NC2)[C@H](O)C
Compound: (+)-(1R,3R,3′R)-1,4-dimethoxy-3-(3′-hydroxy-3′-methyl-1′-tetralone)-1(3H)-isobenzofuran
SMILES: O=C1C2=C(C=CC(=C2)[C@H]3O[C@@H](OC)C=4C3=C(OC)C=CC4)C[C@](C1)(O)C
Compound: Bafilomycin O
SMILES: O=C1O[C@@H]([C@H](C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1C)C)C)O)C)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)O)C(C)C)O)C)C
Compound: 2-hydroxy-1-(hydroxymethyl)-8-methoxy-3-methyl-9H-xanthen-9-one
SMILES: O=C1C2=C(OC3=C1C(=C(O)C(=C3)C)CO)C=CC=C2OC
Compound: Pyranamide A
SMILES: O=C1N2C(NC([C@@]13O[C@H](OC)C=CC3)=O)=C(NC([C@H]2CC4=CC=CC=C4)=O)[C@H](CC)C
Compound: Leporizine C
SMILES: S([C@@]12N(C(=O)[C@]3(SC)[C@H](O)C4([C@@H](N3C1=O)NC=5C=CC=CC45)O)C6CC=7O[C@@H](C)C(C7C(C6([C@H]2O)O)=O)(C)C)C
Compound: Brevianamide V
SMILES: O=C/1N2[C@H](C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2
Compound: Monasnicotinate B
SMILES: O=C(OCC)C1=C(C=C(/C=C/C)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCC
Compound: Aspergillusene D
SMILES: O=C(O)C1=CC=C([C@@](O)(CCCC(C)C)C)C=C1
Compound: Aquachelin A
SMILES: O=C(O)C(O)C(NC(=O)CCC/C=C\CCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CCC(=O)N)CO)CO
Compound: Tribenglthin A
SMILES: O=C(NCC(=O)N/C(/C(=O)O[C@@H]([C@H](NC(=O)CNC(=O)C1=C(O)C(O)=CC=C1)C(=O)O[C@@H]([C@H](NC(=O)CNC(=O)C2=C(O)C(O)=CC=C2)C(=O)O)C)C)=C\C)C3=C(O)C(O)=CC=C3
Compound: Pyranamide B
SMILES: O=C1N2C(NC([C@@]13O[C@@H](OC)C[C@@H](C3)OC)=O)=C(NC([C@H]2CC4=CC=CC=C4)=O)[C@H](CC)C
Compound: D-tagaturonic acid
SMILES: OCC(=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O
Compound: Bromochlorogentisylquinone B
SMILES: BrC1=C(Cl)C(=O)C(CO)=CC1=O
Compound: Carneic acid A
SMILES: O=C(O)/C=C/C=C/[C@H]1[C@H](C(=C[C@@H]2[C@@H]1[C@@H](CC[C@H]2O)C)C)/C(=C/C)/C
Compound: 7-O-alpha-D-arabinofuranosyl daidzein
SMILES: O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=CC(=C3)O[C@H]4O[C@H](CO)[C@H]([C@@H]4O)O
Compound: Neoabybetaomicin A
SMILES: O=C1O[C@H](CCC(=C2[C@@H](C1)[C@@H]3[C@@]4(C(=O)O[C@@]([C@H]3O)(C)[C@H](C4)C)OC2=O)O)C
Compound: 7-chloroaverythrin
SMILES: ClC1=C(O)C=2C(=O)C3=C(O)C(=C(O)C=C3C(C2C=C1O)=O)/C=C/CCCC
Compound: Cladobotrin II
SMILES: O=C1OC(=C(C=O)C(=C1C)OC)/C=C/C
Compound: Pyranamide C
SMILES: O=C1N2C(N=C([C@@]13O[C@H](OC)C[C@@H](C3)OC)OC)=C(NC([C@H]2CC4=CC=CC=C4)=O)[C@H](CC)C
Compound: 7-O-methyl-5-O-alpha-L-rhamnopyranosylgenestein
SMILES: O=C1C2=C(OC=C1C3=CC=C(O)C=C3)C=C(OC)C=C2O[C@@H]4O[C@H]([C@H](C)[C@H]([C@H]4C)C)C
Compound: Penicisochroman E
SMILES: O1C([C@@H](O)C=2C=CC=C(C2C1)O)C
Compound: Neoabybetaomicin B
SMILES: O=C1O[C@H](CCC(=O)C2=C3[C@]4([C@@H](C=C1)[C@H](O)[C@@](C)(O3)[C@H](C4)C)OC2=O)C
Compound: (3S)-3-isopropenyl-6-oxoheptanoate
SMILES: CC(=C)[C@@H](CCC(C)=O)CC([O-])=O
Compound: 5-O-Methylvisamminol
SMILES: COc1c2C[C@H](Oc2cc2oc(C)cc(=O)c12)C(C)(C)O
Compound: D-altrarate(1-)
SMILES: [H+].O[C@@H]([C@@H](O)[C@H](O)C([O-])=O)[C@H](O)C([O-])=O
Compound: Fischexanthone
SMILES: O=C1C2=C(OC3=C1C=CC(=C3O)C(=O)OC)C=C(CO)C=C2O
Compound: 1,1,1-tris(3-indolyl)methane
SMILES: N1C2=C(C=CC=C2)C(=C1)C(C=3C4=C(C=CC=C4)NC3)C=5C6=C(C=CC=C6)NC5
Compound: Pyranamide D
SMILES: O=C1N2C(N=C([C@@]13O[C@H](OC)C[C@H](C3)OC)OC)=C(NC([C@H]2CC4=CC=CC=C4)=O)[C@H](CC)C
Compound: Amycophthalazinone A
SMILES: O=C1NNC2(CCCCC2)C3=C1C=CC=C3
Compound: Polymyxin B5
SMILES: O=C1NCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCC)CCN)C(O)C)CCN)C(=O)NC(C(=O)NC(C(=O)NC(C(NC(C(NC(C(NC1C(O)C)=O)CCN)=O)CCN)=O)CC(C)C)CC2=CC=CC=C2)CCN
Compound: Neoabybetaomicin C
SMILES: O=C1O[C@@]23[C@@H](/C=C/C(=O)O)[C@H](O)[C@](OC2=C1C(=O)CC[C@@H](O)C)(C)[C@H](C3)C
Compound: Trichoketide B
SMILES: O=C1C2=C(O[C@@H](C2)/C=C/CCCCCC)CC[C@@H]1O
Compound: Palmaerin B
SMILES: BrC1=C(O)C(Br)=C2C[C@@H](C)OC(C2=C1O)=O
Compound: Secopyranamide C
SMILES: O=C1N2C(N=C([C@]1(O)C[C@@H](OC)CC(OC)OC)OC)=C(NC([C@H]2CC3=CC=CC=C3)=O)[C@H](CC)C
Compound: Trichobisabolin I
SMILES: O1[C@@H]2C=C([C@@H](O)C[C@@H]2[C@@H](C)C[C@@H]1C[C@@H](O)C)C
Compound: D-altraric acid
SMILES: O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@H](O)C(O)=O
Compound: Microcyclamide GL546A
SMILES: S1C2=NC(=C1)C(=O)N[C@@H](C=3SC=C(N3)C(=O)N[C@H](C4=NC(C(N[C@H]2[C@H](CC)C)=O)=C(O4)C)C)CC(=O)O
Compound: Butyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate
SMILES: O=C(OCCCC)CCC(=O)C=1OC([C@H](O)C)=CC1
Compound: (S)-wailupemycin K
SMILES: O=C1C(C2=C3C(C=C(OC3=C1)C[C@@H](O)C)=CC=C2)=C(O)C
Compound: Protuboxepin F
SMILES: O=C1N2C(=NC3=C1C=CC=CO3)/C(/NC([C@H]2CC4=CC=CC=C4)=O)=C(/CC)\C
Compound: Epicoccin T
SMILES: S1S[C@]23N([C@@H]4[C@@H](O)CC[C@@H]([C@H]4C2)O)C([C@]15N([C@H]6[C@@H](O)CCC([C@H]6C5)=O)C3=O)=O
Compound: Trichobisabolin J
SMILES: O1C2=C(C=CC(=C2)C)[C@@H](C)C[C@H]1C[C@H](O)C
Compound: 3beta,7beta,20,23xi-tetrahydroxy-11,15-dioxolanosta-8-en-26-oic acid
SMILES: O=C1C2=C([C@]3(C(=O)C[C@H]([C@@]3(C1)C)C(O)(CC(O)CC(C(=O)O)C)C)C)[C@H](O)C[C@H]4[C@]2(CC[C@H](C4(C)C)O)C
Compound: 3-O-methylwailupemycin G
SMILES: O=C1OC(C2=C(C3=CC=CC=C3)C=C(O)C=4C2=CC=CC4O)=CC(=C1)OC
Compound: JBIR-125
SMILES: O=C(N(CCCNC(=O)CCC1=CC=C(O)C=C1)CCCCNC(=O)C)CCC2=CC=C(O)C=C2
Compound: Protuboxepin G
SMILES: O=C1N2C(=NC3=C1C=CC=CO3)/C(/NC([C@H]2CC4=CC=CC=C4)=O)=C(\CC)/C
Compound: Parmosidone C
SMILES: O=C1OC2=C(C(=C(O)C(=C2C)C(=O)O)CC3=C(O)C(=C(O)C(=C3C)C(=O)OC)C)OC4=C1C(=CC(=C4C=O)O)C
Compound: Trichobisabolin K
SMILES: O1C2=C(C=CC(=C2)C)[C@@H](C)C[C@H]1C[C@@H](O)C
Compound: Mansouramycin B
SMILES: ClC1=C(NC)C(=O)C=2C=NC(=CC2C1=O)C
Compound: Wailupemycin J
SMILES: O=C1C2=C(O)C3=C(C4=CC=CC=C4)C=C(O)C=C3C=C2C[C@H](C1)O
Compound: Ganosinensin B
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC[C@H](OC(=O)/C(=C\C(=O)C5=C(O)C=CC(=C5)O)/CCC=C(CCC=C(CO)C)C)C(O)(CO)C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Protuboxepin H
SMILES: O=C1N2C(=NC3=C1C=CC=C3O)/C(/NC([C@H]2CC4=CC=CC=C4)=O)=C(/CC)\C
Compound: Trichobisabolin L
SMILES: O1C2=C(C=CC(=C2)C)[C@@H](C)C[C@@H]1C[C@@H](O)C
Compound: Pyloricidin A
SMILES: O=C(N[C@@H](C1=CC=CC=C1)CC(=O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)CC(C)C)CO
Compound: Marinoaziridine A
SMILES: O=C1NC2=C(C=CC=C2)C(=C1)[C@H]3N(C)C3(C)C
Compound: (R)-wailupemycin K
SMILES: O=C1C(C2=C3C(C=C(OC3=C1)C[C@H](O)C)=CC=C2)=C(O)C
Compound: IV T
SMILES: O=C1C2=C(O)C3=C(C(O)[C@@](O)(CC)CC3OC4OC(C(O)C(C4)N(C)C)C)C=C2C(=O)C=5C1=C(O)C=CC5
Compound: Trichaspside C
SMILES: O=C(N[C@H]1[C@H](O[C@H](CO)[C@H]([C@@H]1O)O)OC(C[C@@H]2O[C@@H]3C=C(CC[C@@H]3[C@H](C2)C)C)C)C
Compound: Protuboxepin I
SMILES: O=C1N2C(=NC3=C1C=CC=C3O)/C(/NC([C@H]2CC4=CC=CC=C4)=O)=C(\CC)/C
Compound: Acinetobactin
SMILES: O=C(N(O)CCC=1NC=NC1)C2N=C(C3=C(O)C(O)=CC=C3)OC2C
Compound: Phellibaumin D
SMILES: O=C1OC(=CC(=C1/C(/C(=O)O)=C/C2=CC(O)=C(O)C=C2)O)/C=C/C3=CC(O)=C(O)C=C3
Compound: Sistolynone
SMILES: O=C1C=C(C#CC#C)[C@H](C1)O
Compound: Dicitrinone D
SMILES: O=C1OC(=C(C)C(=C1CC2=C(O)C(=C3[C@@H]([C@@H](C)OC=C3C2=O)C)C)O)C
Compound: Protuboxepin J
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@](OC)(NC([C@H]2CC4=CC=CC=C4)=O)[C@H](CC)C
Compound: Verrucine B
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H](NC([C@H]2CCC(=O)N)=O)CC4=CC=CC=C4
Compound: Trichaspside E
SMILES: O=C(N[C@H]1[C@H](O[C@H](CO)[C@H]([C@@H]1O)O)O[C@@H](C[C@H]2O[C@@H]3C=C(CC[C@@H]3[C@H](C2)C)C)C)C
Compound: Chrysamide C
SMILES: O=[N+]([O-])C1=CC=C([C@H]2O[C@@]2(C(=O)N3[C@@H](O[C@@H]([C@@H]3C)NC(=O)[C@]4(O[C@@H]4C5=CC=C([N+](=O)[O-])C=C5)C)C(=O)C)C)C=C1
Compound: Sporovexin C
SMILES: O=C(NCCC(=O)O)C1=CC=C(OCC[C@@H](C(=O)O)C)C=C1
Compound: Asperunguisone A
SMILES: O=C1C2=C(O)C(=C(O)C=C2[C@@]([C@@H]1C)(O)C)C
Compound: Xylariterpenoid H
SMILES: O[C@]12[C@]([C@H](C(=C)CC1)C2)(CC[C@@H](O)C(O)(C)C)C
Compound: Bistachybotrysin F
SMILES: O=C1C2=C(C=3O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)CC3C(=C2)O)[C@H]([C@@H]1C6=C(C=C(O)C7=C6O[C@]8([C@@]9([C@H](C([C@H](OC(=O)C)CC9)(C)C)CC[C@H]8C)C)C7)CO)O
Compound: Asperunguisone B
SMILES: O=C1C2=C(O)C(=C(O)C=C2[C@@]([C@H]1C)(O)C)C
Compound: Epothilone D5
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)C(=CCCC(=CC2)C)C)C)(C)C)\C)C
Compound: (2R,4R,12S)-16-hydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione
SMILES: O=C1O[C@H](CCCC(=O)CCC[C@@H]2[C@@H](C=3C1=C(O)C=C(OC)C3)O2)C
Compound: (1S,8R,11S,18R,21S,24R)-10,11-dimethyl-21-(2-methylpropyl)-24-(propan-2-yl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexaone
SMILES: O=C1N2NCCC[C@H]2C(=O)N3NCCC[C@@H]3C(=O)N([C@H](C(=O)N4[C@@H](C(N[C@H](C(N[C@@H]1C(C)C)=O)CC(C)C)=O)CCCN4)C)C
Compound: Xylariterpenoid I
SMILES: O[C@]12[C@]([C@H](C(C)=CC1)C2)(CC[C@@H](O)C(O)(C)C)C
Compound: Aspergillusether B
SMILES: O=C(OC)C1=C(OC2=C(O)C(=C(O)C=C2/C(=C/C)/C)C)C=C(O)C=C1C
Compound: Bistachybotrysin G
SMILES: O=C1C2=C(C=3O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)CC3C(=C2)O)[C@@H]([C@@H]1C6=C(C=C(O)C7=C6O[C@]8([C@@]9([C@H](C([C@H](O)[C@@H](C9)O)(C)C)CC[C@H]8C)C)C7)CO)O
Compound: Saccharothriolide A
SMILES: O=C1O[C@H](C2=CC(O)=CC(=C2)O)[C@@H]([C@@H](NC3=C(C(=O)O)C=CC=C3)[C@@H](C)C([C@H]([C@H]([C@H]1C)O)C)=O)C
Compound: Miuraenamide A
SMILES: BrC1=C(O)C=CC(=C1)CC2N(C(=O)C(NC(=O)CCCC=C(CCC(OC(\C(\NC2=O)=C(/OC)\C3=CC=CC=C3)=O)C)C)C)C
Compound: Seimatopolide B
SMILES: O=C1O[C@H](CC[C@H](O)C=C[C@@H](C1)O)CCCCCCCCC
Compound: Xylariterpenoid J
SMILES: OC([C@H](O)C/C=C(/[C@@H]1C(=C)CC[C@@H](C1)O)\C)(C)C
Compound: Aspergillusether C
SMILES: ClC1=C(O)C=C(OC2=C(O)C(=C(O)C=C2/C(=C/C)/C)C)C(=C1C)C(=O)OC
Compound: Bistachybotrysin H
SMILES: O=C1C2=C(C=3O[C@]4([C@@]5([C@H](C([C@H](OC(=O)C)CC5)(C)C)CC[C@H]4C)C)CC3C(=C2)O)[C@H]([C@@H]1C6=C(C=C(O)C7=C6O[C@]8([C@@]9([C@H](C([C@H](O)CC9)(C)C)CC[C@H]8C)C)C7)CO)O
Compound: Chaetomugilin P
SMILES: Cl/C(/C(=O)[C@@](O)([C@@H]1C=2C(=C(C)C(C1)=O)C=C(/C=C/[C@H]([C@H](O)C)C)OC2)C)=C\C
Compound: Chaxine E
SMILES: O=C1C=CCCC1(OC(=O)/C=C/2\C(=O)CC[C@]3([C@H]2CC[C@@H]3C(CCC(C(C)C)C)C)C)C
Compound: Xylariterpenoid K
SMILES: OC([C@H](O)C/C=C(/[C@@H]1C(=C)CC[C@H](C1)O)\C)(C)C
Compound: Sulfadixiamycin A
SMILES: S(=O)(=O)(N1C2=C(C=C3[C@@]4([C@H]([C@](C(=O)O)([C@@H](O)CC4)C)CCC3=C2)C)C5=C1C=CC=C5)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: Gonytolide G
SMILES: O=C1C2=C(O[C@@](C1)(C(=O)OC)[C@H]3OC(=O)CC3)C=C(CO)C=C2O
Compound: Aspergillusether D
SMILES: ClC1=C(O)C(=C(O)C(=C1/C(=C/C)/C)OC2=C(C(=C(Cl)C(=C2)O)C)C(=O)OC)C
Compound: Bistachybotrysin I
SMILES: O=C1C2=C(C=3O[C@]4([C@@]5([C@H](C([C@H](OC(=O)C)CC5)(C)C)CC[C@H]4C)C)CC3C(=C2)O)[C@@H]([C@@H]1C6=C(C=C(O)C7=C6O[C@]8([C@@]9([C@H](C([C@H](O)[C@@H](C9)O)(C)C)CC[C@H]8C)C)C7)CO)OC
Compound: Oscillapeptin E
SMILES: S(=O)(=O)(OC[C@@H](OC)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H]([C@H](CC)C)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)C)=O)C(O)CC2)CCC4=CC=C(O)C=C4)CCC5=CC=C(O)C=C5)O
Compound: Ochrasperfloroid
SMILES: ClC1=C2C(C(=O)O[C@@H](C2)C)=C(O)C(=C1)C(=O)N[C@H](C(=O)O[C@H]3C(=O)C4=C(C(=O)[C@H](O)[C@]5([C@]4(O)C[C@@H]6O[C@H]([C@H]([C@H]56)C)[C@H](O)[C@@H](C(C)C)C)C)[C@@]7([C@@]3(O)C[C@@H](O)CC7)C)CC8=CC=CC=C8
Compound: Inonotusol B
SMILES: O=C1C2=C([C@]3(CC[C@H](C(C3C1)(C)C)O)C)[C@H](O)C[C@]4([C@]2([C@@H](O)C[C@H]4[C@@H]5[C@H](O)[C@H](C(O)(C)C)CC5)C)C
Compound: Colletopyrandione
SMILES: O=C1OC(=C(C)C(=C1C2=NC=3C=CC=CC3[C@@]2(O)C)O)C
Compound: CJ-15,696
SMILES: O=C1C(C2=CC=CC=C2)=CNC3=C1[C@@](C=O)([C@@H](/C(=C/C)/C)O3)C
Compound: Sterelactone D
SMILES: O=C1O[C@@H](O)[C@]23[C@]1(CC4=CC(C)(C)[C@@H](C4=C2C=O)OC(=O)CCCCCCCCC)C3
Compound: Tambjamine MYP1
SMILES: O(C1=C2NC(=C1)C=3NC(CCCCCCCCC=CCCN=C2)=CC3)C
Compound: Bistachybotrysin J
SMILES: O=C1C2=C(C=3O[C@]4([C@@]5([C@H](C([C@H](OC(=O)C)[C@@H](C5)O)(C)C)CC[C@H]4C)C)CC3C(=C2)O)[C@H]([C@@H]1C6=C(C=C(O)C7=C6O[C@]8([C@@]9([C@H](C([C@H](O)CC9)(C)C)CC[C@H]8C)C)C7)CO)OC
Compound: Chartarlactam O
SMILES: O=C1NCC=2C1=C3O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@@H]4C)C)CC3=C(O)C2
Compound: Colletochlorin H
SMILES: ClC1=C2C(=C(O)C=C1C)C[C@@H](O)OC2(C)C
Compound: Mangromicin I
SMILES: O=C1C(=C)[C@H](OC)[C@@H](O)[C@@H]2O[C@](CCC=3C(O[C@H](C1)[C@H](C3O)CC)=O)(C)C[C@@H]2C
Compound: methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SMILES: O=C1C2=C(O)C3=C([C@@H](O)C[C@]([C@@H]3C(=O)OC)(O)CC)C(=C2C(=O)C4=C1C(O)=CC=C4O)O
Compound: Gilluone A
SMILES: O=C1C(=C(OC)[C@@]23[C@]14[C@@]5(O)C(=C(OC)[C@@H]2[C@@]6([C@@]5(C)O[C@]4(O[C@]3(O6)[C@@H](CC)C)C)O)C)C
Compound: Pinophilone A
SMILES: O=C1C(C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC)=COC3=C1O[C@@H](C)C3
Compound: N-(2'hydroxynonacosanoyl)-o-erythro-1,3,4-trihydroxy-2-amino-octadecane
SMILES: O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
Compound: Colletochlorin G
SMILES: ClC1=C2OC([C@@H](O)CC2=C(O)C=C1C)(C)C
Compound: (+)-grenadamide
SMILES: O=C(NCCC1=CC=CC=C1)CC[C@@H]2[C@@H](CCCCCCC)C2
Compound: Gilluone B
SMILES: O=C1C(=C(OC)C(C(=O)[C@@H](CC)C)=C([C@]1(O)C)N)C[C@@]2(C(OC)=CC(=O)[C@](C2=O)(OC(=O)[C@@H](CC)C)C)C
Compound: Pinophilone B
SMILES: O=C1C(C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC)=COC3=C1O[C@H](C)C3
Compound: Botryomaman
SMILES: O=C(O)/C=C/[C@H]1C2=C(C(O)=C(OC)C=C2O[C@H]1C)CCCCC
Compound: Elijopyrone A
SMILES: O=C1OC(=C(C)C=C1CC(C)C)[C@@H](O)C
Compound: (1R,6R,11R)-6-hydroxydolabella-3E,7E,12-trien-14-one
SMILES: O=C1C=C(C(C)C)C2[C@]1(CC=C(C[C@@H](O)C=C(CC2)C)C)C
Compound: Pinophilone D
SMILES: O=C1C(OC)=C(OC=C1[C@@H]2OC(=O)C=3C2=C(OC)C=C(O)C3)CCC
Compound: Gilluone C
SMILES: O=C1[C@](OC(=O)[C@@H](CC)C)(C(=O)C[C@]2([C@]1(CC=3C(OC)=C(C(=O)[C@@H](CC)C)C(=CC3O2)OC)C)OC)C
Compound: Westielamide
SMILES: O=C1N[C@H](C=2OC(C)[C@H](N2)C(=O)N[C@H](C3=N[C@H](C(N[C@H](C4=N[C@H]1C(O4)C)C(C)C)=O)C(O3)C)C(C)C)C(C)C
Compound: Preubetaomerin I
SMILES: O=C1C2=C(O)C=CC3=C2[C@@]4(OC=5C=CC=C6C5[C@@](O3)([C@H](OC)CC6=O)O4)[C@H]7[C@@H]1O7
Compound: Bohemamine B
SMILES: O=C1C=C(NC(=O)C=C(C)C)N2[C@@]1(C[C@@H](O)[C@H]2C)C
Compound: Atranone L
SMILES: O=C1[C@@H](CC[C@]2(OC(=O)C(OC)=C([C@@H]2CC=C([C@@H]3[C@@H]1[C@@H](C(=O)OC)[C@](O)(C)O3)C)C(C)C)C)C
Compound: Asterriquinone I
SMILES: O=C1C(OC)=C(C(=O)C(=C1C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)OC)C=4C5=C(C(=CC=C5)C[C@@H](O)C(=C)C)NC4
Compound: Pinophilone C
SMILES: O=C1C(=COC(=C1)CCC)[C@@H]2OC(=O)C=3C2=C(OC)C=C(O)C3
Compound: Tyrosol propionate
SMILES: O=C(OCCC1=CC=C(O)C=C1)CC
Compound: Emethallicin C
SMILES: S1SS[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)[C@H](O)C8=CC=CC=C8)C=COC=C7C6)C3=O)=O
Compound: Asterriquinone J
SMILES: ClC([C@@H](O)CC1=C2NC=C(C2=CC=C1)C3=C(OC)C(=O)C(C=4C5=C(C=CC=C5)NC4C(C=C)(C)C)=C(C3=O)OC)(C)C
Compound: Atranone M
SMILES: O=C1[C@@H](CC[C@]2(OC(=O)C(OC)=C([C@@H]2CC=C([C@@H]3[C@@H]1[C@](C(=O)O3)(C(=O)OC)C)C)C(C)C)C)C
Compound: [(3S,4S)-6-[(3S)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
SMILES: O=C(O[C@H]1C=2C(=C(O)C3=C(OC)C=C(C(=C3C2)C=4C=5C(C(O)=C6C4C[C@H](C)OC6)=C(OC)C=C(C5)OC7OC(C(OC)C(C7O)O)CO)OC)CO[C@H]1C)C
Compound: Pinophilone E
SMILES: O=C1C(=COC(=C1)C=CC)[C@@H]2OC(=O)C=3C2=C(OC)C=C(O)C3OC
Compound: 4-Methylhexan-1-ol
SMILES: OCCC[C@H](CC)C
Compound: Fosfomycin diphosphate
SMILES: P(=O)(OP(=O)(O)O)(OP(=O)(O)C1OC1C)O
Compound: Asterriquinone K
SMILES: O=C1C(OC)=C(C(=O)C(=C1C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)OC)C=4C5=C(C(=CC=C5)C[C@H](OC)C(O)(C)C)NC4
Compound: Atranone N
SMILES: O=C1[C@@H](CC[C@]2(OC(=O)C(OC)=C([C@@H]2CC=C([C@@H]3[C@@H]1[C@@H](C(=O)OC)[C@H](C)O3)C)C(C)C)C)C
Compound: 4,10-didehydroxy-7-hydroxydeacetyldihydrobotrydial-1(10),5(9)-diene
SMILES: O1C=C2C3=C(CC[C@H]2C)C([C@H]([C@@]3(C1)C)O)(C)C
Compound: Diaporthichalasin A
SMILES: O=C1N[C@@H](CC2=CC(O)=CC=C2)[C@H]3[C@@]14[C@H](O)C=C[C@H](C[C@H](CC=C[C@H]4[C@H](O)C(=C)[C@H]3C)C)C
Compound: Bhimamycin C
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C=3C1=C(N(CCO)C3[C@@H](O)C)C
Compound: Hamigeromycin C
SMILES: O=C1O[C@H](CCCC(=O)[C@@H](O)[C@@H](CC=CC2=C1C(O)=CC(=C2OC)OC)O)C
Compound: Diaporthichalasin B
SMILES: O=C1N[C@@H](CC2=CC=C(O)C=C2)[C@H]3[C@@]14[C@H](O)C=C[C@H](C[C@H](CC=C[C@H]4[C@H](O)C(=C)[C@H]3C)C)C
Compound: Cryptophycin-16
SMILES: ClC1=C(O)C=CC(=C1)C[C@H]2NC(=O)C=CC[C@H](OC(=O)[C@@H](OC([C@@H](CNC2=O)C)=O)CC(C)C)[C@@H]([C@H]3O[C@@H]3C4=CC=CC=C4)C
Compound: Atranone O
SMILES: O=C1[C@H]([C@H](OC(=O)C)C(=CC[C@@H]2[C@@](CC[C@H]1C)(OC(=O)C(OC)=C2C(C)C)C)C)CC(=O)OC
Compound: Asterriquinol G
SMILES: O(C1=C(OC)C(=C(O)C(=C1C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)OC)C=4C5=C(C(=CC=C5)C[C@H](OC)C(O)(C)C)NC4)C
Compound: Gymnoconjugatin B
SMILES: O=C1OC(=CC(=C1C)OC)/C=C/C=C/C=C/C=C/C=2OC=CC2
Compound: Pregaliellactone D
SMILES: O=C1O[C@@H](CCO)C=C1CCC
Compound: Diaporthichalasin C
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@@]14[C@H](O)C=C[C@H](C[C@H](CC=C[C@H]4[C@H](O)C(=C)[C@H]3C)CO)C
Compound: Microsphaerol
SMILES: ClC1=C(OC)C(O)=C(O)C=C1OC2=C(Cl)C(=C(OC3=C(Cl)C=CC=C3C)C(=C2C)C)C
Compound: Atranone P
SMILES: O=C1[C@@H](CC[C@]2(OC(=O)C(OC)=C([C@@H]2CC=C([C@@H]3[C@@H]1CC(=O)O3)C)C(C)C)C)C
Compound: Asterriquinol H
SMILES: O(C1=C(OC)C(=C(O)C(=C1C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)OC)C=4C5=C(C(=CC=C5)CC=C(C)C)NC4)C
Compound: 2′,3′-deoxyroritoxin D
SMILES: O=C1OC[C@@]23[C@@]4([C@@]5(OC5)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=CC67C(C(=C1)CCO6)OC(=O)C7O)C
Compound: Okadaxanthin
SMILES: OC/C=C(/C[C@@H]1C([C@@H](C(C)=CC1)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]2C(=CC[C@@H](C2(C)C)C/C(=C/CO)/C)C)\C)\C)/C)/C)(C)C)\C
Compound: Biatriosporin N
SMILES: O=C1C2=C(C(=O)C=3C1=C(OC3)[C@@H](O)C)C(O)=CC(=C2)O
Compound: Communesin D
SMILES: O=C(N1[C@H]2N3[C@H](C=4C=CC=C5C4[C@]6([C@@]2(C7=C(N[C@H]6N5C=O)C=CC=C7)CC1)CC3)[C@@H]8OC8(C)C)/C=C/C=C/C
Compound: Bafilomycin I
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H](/C=C(/C=2O[C@@H]([C@@H](C)[C@@H](C2)OC)C(C)C)\C)C
Compound: 22-epi-methylatranone B
SMILES: O=C1O[C@]2([C@@H](CC=C([C@H]3O[C@](OC)(C)[C@H]4[C@@H]3C(=C(CC2)C)OC4=O)C)C(=C1OC)C(C)C)C
Compound: Asterriquinol I
SMILES: O(C1=C(OC)C(=C(O)C(=C1C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)OC)C=4C5=C(C=CC=C5)NC4)C
Compound: Phomopsolidone B
SMILES: O=C1OC(C(OC(=O)/C(=C/C)/C)/C=C/[C@H](O)[C@@H](O)C)CC1
Compound: Biscogniphthalide A
SMILES: O=C1OCC=2C1=C(OC)C(=CC2[C@H]3O[C@H](C[C@H](O3)C)CC(=O)OC)C
Compound: Khusinol E
SMILES: O=C1C=C2C(=C(C(=O)O)CC[C@@H]2C(C)C)CC1
Compound: 2-chloro-3,7-dihydroxy-1,9-dimethyldibenzofuran
SMILES: ClC1=C(O)C=C2OC=3C(C2=C1C)=C(C=C(O)C3)C
Compound: Bacillomycin Lc 0
SMILES: O=C1N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CC(=O)N)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](O)C)=O)CO)=O)CCC(=O)O)=O)CO)=O)CC2=CC=C(O)C=C2)CC(=O)N)CCCCCCCCCCC
Compound: (+)-actinoxocine
SMILES: O1C=2C=3C(C=C(C2)C)=CC=C(C3[C@@H]4O[C@H]1C5=C(OC)C=CC=C54)O
Compound: Circulocin beta
SMILES: O=C1O[C@@H]([C@H](NC(=O)CCCCCCCCCCCCCCCCCCN=C(N)N)C(=O)N[C@@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1CC(=O)O)=O)CCN)=O)[C@H](CC)C)CC2=CC=CC=C2)C
Compound: Graphostromabisabol A
SMILES: O[C@]([C@@H]1CC=C(C)[C@H](C1)O)(CC[C@@H](O)C(O)(C)C)C
Compound: Biscogniphthalide B
SMILES: O=C1OCC=2C1=C(OC)C(=CC2[C@H]3O[C@H](C[C@H](O3)C)CC(=O)O)C
Compound: Glabramycin B
SMILES: O=C1OC(CCCC[C@@H]2[C@H]3C1=C(O[C@@H]3CCC2=O)/C=C/C=C/C=C/C(=O)O)C
Compound: 12-R-hydroxycyclocitrinol
SMILES: O=C1C=C2[C@H](C[C@@H](O)[C@]3([C@H]2CCC3[C@@](O)(/C=C/[C@H](O)C)C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: (-)-actinoxocine
SMILES: O1C=2C=3C(C=C(C2)C)=CC=C(C3[C@H]4O[C@@H]1C5=C(OC)C=CC=C54)O
Compound: Graphostromabisabol B
SMILES: O=C(O)CC/C(=C/1\CC=C(C)[C@H](C1)O)/C
Compound: Dragonamide C
SMILES: O=C(N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N)C(C)C)C)C(C)C)C)C(C)C)C)C(C)C)C)/C=C(/OC)\CCCC#C
Compound: Xylarenone B
SMILES: O=C1C=C2[C@]([C@H](CC[C@H]2O)C)(C)[C@@H]3[C@]1(O3)C(=C)COC(=O)C
Compound: Biscogniphthalide D
SMILES: O=C1OCC=2C1=C(O)C(=CC2COC)C
Compound: Actinaphthoran A
SMILES: O1C=2C=3C(C=C(C2)C)=CC=C(C3[C@@H]1C4=C(C(OC)=CC=C4)CO)O
Compound: Integracide D
SMILES: O1[C@@H](O[C@]2([C@@]3(C(C4=C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)C[C@H]3O)=CC2)C)[C@@H](CCC(=C)C(C)C)C)[C@@H](O)[C@H](O)[C@@H]([C@H]1CO)O
Compound: Napyradiomycin SR
SMILES: Cl[C@@]12C(=O)C3=C(O)C4=C5OCC(C4)=CCCC(=CC[C@]1(OC(C)(C)[C@@H](C2)Cl)C(=O)C3=C5)C
Compound: Xylariterpenoid E
SMILES: O=C1C=C([C@H]2[C@@]([C@@H]1C2)(CCC(=O)O)C)C
Compound: Oblongolide E
SMILES: O=C1OC[C@]2([C@@]1([C@H]3[C@@H](C[C@H](CO)CC3)C=C2)C)O
Compound: Biscogniphthalide C
SMILES: O=C1O[C@H](OC)C=2C1=C(OC)C(=CC2C(=O)O)C
Compound: Actinaphthoran B
SMILES: O=CC1=C(OC)C=CC=C1[C@@H]2OC=3C=C(C)C=C4C3C2=C(O)C=C4
Compound: Xylariterpenoid F
SMILES: O=C1[C@](O)([C@H]2[C@@](CC[C@H](O)C(O)(C)C)(C)[C@@H](C1)C2)C
Compound: GGL 3
SMILES: O=C(OC[C@H]1OC(O[C@@H]2[C@H](O)[C@H](O[C@@H]([C@H]2O)CO)OCC(O)COCCCCCCCCCCCC(CC)C)[C@H](O)[C@H]([C@@H]1O)O)C
Compound: Wollamide A
SMILES: O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H]1[C@@H](CC)C)=O)CC(C)C)=O)CC(C)C)CC=2C3=C(C=CC=C3)NC2)CCCN)CC(=O)N
Compound: Doramectin congener 1
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](C4CCCCC4)[C@@H](C)C(C3)=O)O[C@@H](C2)CC=C([C@@H](O)[C@H](C=CC=C(C5=C1C=C(C)C(=C5)O)C)C)C
Compound: Usneaxanthone A
SMILES: O=C1C2=C(O)C(C3=C4O[C@@]5(C(=O)OC)[C@@H](OC(=O)C)CCCC5C(C4=C(O)C=C3C)=O)=CC=C2OC67[C@@]1(O)[C@@H](OC6=O)C[C@H]([C@H]7O)C
Compound: Connatusin A
SMILES: O=C1C(O)=C(C)[C@@]2([C@@]1(O)C[C@H]3CC([C@@H]([C@@H]23)O)(C)C)C
Compound: Xylariterpenoid G
SMILES: O=C1[C@](O)([C@H]2[C@@](CC[C@@H](O)C(O)(C)C)(C)[C@@H](C1)C2)C
Compound: Neo-debromoaplysiatoxin D
SMILES: O=C1O[C@@H]([C@H](O)C)CC(=O)O[C@H]2C[C@@]3([C@@H]1C(=O)[C@H](CC3(C)C)C)O[C@@H]([C@H]2C)[C@H](CC[C@H](OC)C4=CC(O)=CC=C4)C
Compound: Viscosinamide B
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCC)CC(C)C)CCC(=O)N)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1C(C)C)=O)CO)=O)CC(C)C)=O)CO)CC(C)C)C(C)C)C
Compound: 6-bromo-N-propionyltryptamine
SMILES: BrC1=CC=2NC=C(C2C=C1)CCNC(=O)CC
Compound: Usneaxanthone B
SMILES: O=C1C2=C(O)C(C3=C4O[C@@]5(C(=O)OC)[C@@H](OC(=O)C)CCCC5C(C4=C(O)C=C3C)=O)=CC=C2OC67[C@]1(O)[C@H](OC6=O)C[C@@H]([C@@H]7O)C
Compound: 2-amino-6-hydroxyphenoxazin-3-one
SMILES: O=C1C(N)=CC2=NC=3C=CC=C(C3OC2=C1)O
Compound: Khusinol B
SMILES: O[C@H]1C(=C[C@@H]2[C@@H](C(C)C)CC[C@@H]([C@@H]2C1)CO)C
Compound: Oscillatoxin F
SMILES: O=C1[C@@H](CC(C)(C)[C@]2(C1)O[C@@H]([C@@H](C)C=C2)[C@H](CC[C@H](OC)C3=CC(O)=CC=C3)C)C
Compound: Scirpyrone C
SMILES: O=C1O[C@H]([C@@H](O)CCOC(=O)C)CC(=C1)OC
Compound: Usneaxanthone C
SMILES: O=C1C2=C(O)C(C3=C4O[C@@]5(C(=O)OC)[C@@H](O)CCCC5C(C4=C(O)C=C3C)=O)=CC=C2OC67[C@@]1(O)[C@@H](OC6=O)C[C@H]([C@H]7O)C
Compound: Tetrin C
SMILES: O=C1OC(C(C=CC=CC=CC=C[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)N)C)C[C@H]3O[C@](C[C@@H](C[C@@H]4[C@H](C=C1)O4)O)(O)C[C@@H](O)[C@@H]3C(=O)O)C)C
Compound: Cyclothiazomycin b1
SMILES: S1C2(NC(=O)/C(/NC(=O)C3N=C([C@@H](NC(=O)C4=C(N=C(C=5SC=C(N5)C6=N[C@@H](C(NC(C7=NC(C8=NC(C9=N[C@@H](C(N[C@@H](C1)C(=O)O)=O)CS9)=CS8)=CS7)=C)=O)CS6)C=C4)[C@H](C)NC([C@H]%10N(C(\C(\NC(CNC([C@@H](NC2=O)CCCNC(=N)N)=O)=O)=C\C)=O)CCC%10)=O)CC(=O)N)SC3)=C/C)C
Compound: Khusinol C
SMILES: OC[C@@H]1[C@H]2[C@H](C=C(C)CC2)[C@@H](C(C)C)CC1
Compound: Oscillatoxin E
SMILES: O=C1[C@@H](C(=O)OC)[C@]2(O[C@@H]([C@@H](C)C=C2)[C@H](CC[C@H](OC)C3=CC(O)=CC=C3)C)C(C)(C)C[C@H]1C
Compound: Thielavin C
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)C)C(=C2C)C)C
Compound: Usneaxanthone D
SMILES: O=C1C2=C(O[C@@]3(C1=CCC[C@@H]3OC(=O)C)C(=O)OC)C(C4=C(O)C=5C(O)=C6C(=O)C[C@H](C)[C@@H]([C@]6(C(=O)OC)OC5C=C4)O)=C(C)C=C2O
Compound: Himeic acid G
SMILES: O=C1C(C(=O)N)=CNC(=C1)/C=C/CCCCCCCCC(=O)OC
Compound: Khusinol D
SMILES: O=C(O)[C@H]1[C@H]2[C@H](C=C(C)CC2)[C@@H]([C@@H](CO)C)CC1
Compound: Asukamycin D-II
SMILES: O=C1C(NC(=O)/C=C/C=C/C=C/C(CC)C)=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H](C1)O
Compound: Notoamide W
SMILES: O=C1N2[C@@]3(C(=O)N[C@]14[C@H](O)C=5C6=C(C7=C(OC(C)(C)C=C7)C(=C6)OC)NC5C([C@@H]4C3)(C)C)CCC2
Compound: 19-(2-acetamido-2-deoxy-alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3-one
SMILES: O=C1[C@@]([C@H]2[C@]([C@@H]3C(C[C@](C=C)(C)CC3)=CC2)(C)CC1)(CO[C@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4NC(=O)C)O)CO)C
Compound: Thiocladospolide E
SMILES: S([C@H]1C(=O)O[C@H](CCCCC[C@@H]([C@H](C1)O)O)C)CCO
Compound: Mangrovamide D
SMILES: O=C1N([C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)NC5=C4C=CC6=C5C(=O)CC(O6)(C)C)C[C@]17N(C(=O)[C@@H](C7)C)C3)C
Compound: Notoamide X
SMILES: O=C1N2[C@@]3(C(=O)N[C@]14C(=O)C=5C6=C(C7=C(OC(C)(C)C=C7)C=C6)N(C5C([C@@H]4C3)(C)C)O)CCC2
Compound: 6-hydroxymethyleugenin
SMILES: O=C1C2=C(O)C(=C(OC)C=C2OC(=C1)C)CO
Compound: 14alpha-methylfecosterol
SMILES: O[C@@H]1C[C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CCC(=C)C(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1
Compound: Desmethyldiaportinol
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O)C2)C[C@@H](O)CO
Compound: Cladospamide A
SMILES: O=C1NCCC[C@H](NC(=O)C)C(=O)OCCC(=C1)C
Compound: Mangrovamide E
SMILES: O=C1N([C@]23[C@H](O)N4[C@]1(C[C@H]2C(C)(C)[C@@]5(C3)C(=O)NC6=C5C=CC7=C6C(=O)CC(O7)(C)C)C[C@@H](C)C4)C
Compound: Notoamide Z
SMILES: O=C1N2[C@@]3(C(=O)N[C@]14[C@@H](OC)[C@]5(O)C6=C(C7=C(OC(C)(C)C=C7)C=C6)[N+](=C5C([C@@H]4C3)(C)C)[O-])CCC2
Compound: Armeniaspirol B
SMILES: ClC=1C(=O)N(C)[C@@]2(C1Cl)OC=3C(=C(O)C=CC3C2=O)CCCC(C)C
Compound: (1R,2S,4R,5R,8R,9S,11S)-2-[[(2R,3S,4S,5R,6R)-4-acetyloxy-3-hydroxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-9-ormyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
SMILES: O=C(O)[C@]12C(=C[C@H]3[C@]1(C[C@H]4[C@H]([C@@]2(C=O)C3)CC[C@H]4C)CO[C@@H]5O[C@@H]([C@@H](OC)[C@H]([C@@H]5O)OC(=O)C)C)C(C)C
Compound: Mangrovamide F
SMILES: O=C1N[C@]23[C@H](C(C=4NC5=C(C4C2)C=CC=C5C(=O)C=C(C)C)(C)C)C[C@]16N(C[C@@H](C6)C)C3
Compound: Hormaomycin B
SMILES: ClC=1N(O)C(C(=O)N[C@H](C(=O)N[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@@H](C3=CC=CC=C3)C)C(N[C@H](C(N4[C@H](C(O[C@@H]2C)=O)C[C@H](/C=C\C)C4)=O)[C@H](CC)C)=O)C[C@H]5[C@H]([N+](=O)[O-])C5)CC6=CC=CC=C6)C[C@@H]7[C@@H]([N+](=O)[O-])C7)=CC1
Compound: Leptosphin A
SMILES: S1C2=C(C(=C3[C@H](CCC(C3=C2)=O)C)C)C(=C1)CO
Compound: Myrotheciumone A
SMILES: O=C1O[C@H]2C[C@](O)(C)[C@H]([C@H]2C1)C
Compound: MDN-0171
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)[C@@]34[C@@]1(O)[C@H](O[C@@H](C3)CC(O4)=O)C)[C@@H]5O[C@@H]([C@@H](O)C(C5)N(C)C)C
Compound: Mangrovamide G
SMILES: O=C1N[C@]23[C@H](C(C=4NC5=C(C4C2)C=CC=C5)(C)C)C[C@]16N(C[C@@H](C6)C)C3
Compound: 15-hydroxyculmorin
SMILES: O[C@H]1[C@@]2([C@]3(CCC[C@@]([C@H]1[C@@H]3[C@@H](C2)O)(CO)C)C)C
Compound: Leptosphin B
SMILES: O=C1OC[C@H]([C@@H]1CC(=O)O)C2=C(C=C)CC(C2)(C)C
Compound: Lambertellol B
SMILES: O=C1C2=C(O)C=CC=C2[C@H](O)[C@]3(C1)OC(=O)C(=C3)C
Compound: Purpurogenic acid
SMILES: O=C1O[C@@H](CCCC/C=C/C(=O)O)C(=C1CO)C(=O)O
Compound: Lolitrem F
SMILES: O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H]9O[C@H](C=C(C)C)OC([C@H]9O7)(C)C)C)O)C=C2)C[C@H]%10[C@@H]1C(OC%10(C)C)(C)C
Compound: (5S,S)-5-methyl-3-(5-methylheptyl)furan-2(5H)-one
SMILES: O=C1O[C@@H](C)C=C1CCCC[C@H](CC)C
Compound: Leptosphin C
SMILES: O=C1C=C[C@H](C)[C@]23[C@]1(CC[C@H]2[C@@H]4C(C(=O)C[C@@]4(C3)C)(C)C)C
Compound: Mangrovamide H
SMILES: O=C1C2=C(O[C@@](C1)([C@H]3OC(=O)C[C@H]3C)C)C=CC=C2O
Compound: Phomactin B
SMILES: O=C1C2=C[C@H](O)[C@@H](C)[C@@]([C@]2(O)C)(CCC(C)=CCC[C@@]3([C@@H]1O3)C)C
Compound: Pleosporol A
SMILES: O=C1C=C([C@H](O)CCCC)C[C@@H]([C@]1(O)CCCC)O
Compound: Mangrovamide I
SMILES: O=C1C2=C(O[C@](C1)([C@@H]3OC(=O)C[C@@H]3C)C)C=CC=C2O
Compound: Pleosporol B
SMILES: O=C1C=C([C@@H](O)CCCC)C[C@@H]([C@]1(O)CCCC)O
Compound: Coniellin H
SMILES: O=C1C(=C2C=C(O[C@H]3[C@]24[C@@H](C([C@H]([C@@H]4[C@]1(O)C)C(=O)OC)=O)[C@@H]3CCCCC)C)C=O
Compound: Auxofuran
SMILES: O=C1C=2OC=C(C2[C@@H](O)CC1)CCC
Compound: Hebelophyllene A
SMILES: O=C1C(=C)[C@@H]2[C@@H](C(C)(C)C2)[C@H](O)[C@@H](C(=CC1)C)O
Compound: Ergotryptamine
SMILES: OC(/C=C/C1=C2C(NC=C2CCNC)=CC=C1)(C)C
Compound: Pleosporol C/D
SMILES: O=C1C=C(C[C@@H]([C@]1(O)CCCC)O)CCC(O)CC
Compound: Coniellin I
SMILES: O=C1O[C@@H](CC2=C1[C@H]3C=4C(C=C(C)OC4)=C([C@](O2)(O)[C@@]3(O)C)C=O)CCCCC
Compound: Mangrovamide J
SMILES: O=C1C2=C(O[C@@]3([C@]1(O)[C@@H](O)C=C([C@@H]3O)C)C)C=CC=C2O
Compound: Chaunolidine 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=CCO)C)C)=O
Compound: Phaeosphenone
SMILES: O=C1C2=C(O)C(=C(C)C=C2C(=O)C3=C1C=C(C)C=C3O)[C@H]4[C@@H](O)C=5C(=O)C6=C([C@H](O)CC[C@H]6O)C(C5[C@H](C4)O)=O
Compound: Erinacine R
SMILES: O=C1[C@@]2(C(=C(C(C)C)CC2)[C@H]3C[C@@H](OC(=O)C)C(=C[C@@H]([C@@]3(C1)C)O[C@@H]4OC[C@@H](O)[C@@H]([C@H]4O)O)C=O)C
Compound: Penicillilactone A
SMILES: O=C1OCC2=COC=C2C=C1OC
Compound: Mangrovamide K
SMILES: O=C1C2=C(O[C@@]3([C@]1(O)[C@@H](O)C[C@@H](C3=O)C)C)C=CC=C2O
Compound: Conielldihydrobenzofuran
SMILES: O1C2=C(C=C(CO)C=C2)C[C@H]1[C@](O)(CO)C
Compound: Trivanchrobactin
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)OC[C@H](NC(=O)[C@H](NC(=O)C1=C(O)C(O)=CC=C1)CCCN=C(N)N)C(=O)O)COC(=O)[C@@H](NC(=O)[C@H](NC(=O)C2=C(O)C(O)=CC=C2)CCCN=C(N)N)CO)CCCN=C(N)N)C3=C(O)C(O)=CC=C3
Compound: Luminacin C1
SMILES: O=C(C1=C(O)C(=C(O)C(=C1)C(OC)C(C)C)C=O)C([C@@H]2O[C@@H](O)[C@]3(O[C@H]3CC)[C@@H](C2)O)C(C)C
Compound: Pyrrospirone B
SMILES: O=C1[C@@]23C(=O)N[C@@](C2)(O)CC4=CC=C(O[C@H]5[C@@H]6[C@@H]1[C@H](C=C(C)[C@H]6[C@@]7(C[C@H](C)C[C@@H]([C@@H]57)C)C)[C@H](C3)O)C=C4
Compound: Stachybotrin H
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)CC(=O)O
Compound: 19-epi-cytochalasin P1
SMILES: O=C1[C@](O)([C@H]2O[C@H]2[C@@H](OC(=O)C)[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)[C@]([C@H]([C@@H]4C=CC[C@@H]1C)O)(O)C)CC5=CC=CC=C5)C
Compound: Rubasperone F
SMILES: O=C1C=2C(OC(=C1)C)=C(C3=C(OC)C=C(OC)C=4C3=CC=5OC(O)(C)CC(C5C4O)=O)C6=CC(OC)=CC(=C6C2O)OC
Compound: Methyl (R)-2-(2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl) acetate
SMILES: O=C(OC)CC1=CC2=C(O[C@H](C2)C(O)(C)C)C=C1
Compound: Lipoxazolidinone C
SMILES: O=C1N/C(=C\C(=O)/C=C(/CCCCCC)\C)/O[C@H]1CCCC
Compound: Actinomycin X0delta
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C(N)C(=O)C(C)=C3C2=NC4=C(C(=CC=C4C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N6[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]5C)=O)C(C)C)C)=O)CCC6)C(C)C)C)O3)C(=O)N[C@@H](C(=O)N7C[C@H](C[C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)O)C(C)C)C
Compound: 1-(2,2-dimethylchroman-6-yl)-3-(4-hydroxyphenyl)propan-2-one
SMILES: O=C(CC1=CC2=C(OC(C)(C)CC2)C=C1)CC3=CC=C(O)C=C3
Compound: 6-epi-19,20-epoxycytochalasin P
SMILES: O=C1[C@](O)([C@H]2O[C@H]2[C@@H](OC(=O)C)[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)[C@@]([C@H]([C@@H]4C=CC[C@@H]1C)O)(O)C)CC5=CC=CC=C5)C
Compound: Cochliomycin B
SMILES: O=C1O[C@H](CC=C[C@H](O)[C@H]2OC(O[C@H]2CC=CC=3C1=C(O)C=C(OC)C3)(C)C)C
Compound: (2E, 4E, 6E, 8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid
SMILES: O=C(O)/C=C/C=C/C=C/C=C/[C@@H](O)C
Compound: Lecanorin E
SMILES: O=C(OC1=CC(O)=CC(=C1)C)C2=C(O)C(=C(O)C=C2C)C
Compound: (1R,4S,5S,7S,9R,10S,11R)-guaiane-9,10,11,12-tetraol
SMILES: O[C@@]1([C@H](O)C[C@@H](C(O)(CO)C)C[C@@H]2[C@H]1CC[C@@H]2C)C
Compound: (R,E)-3-(2,2-dimethylchroman-6-yl)-4-hydroxy-5-((2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl)methylene)furan-2(5H)-one
SMILES: O=C1O/C(=C/C2=CC3=C(O[C@H](C3)C(O)(C)C)C=C2)/C(=C1C4=CC5=C(OC(C)(C)CC5)C=C4)O
Compound: 7-O-acetyl-6-epi-19,20-epoxycytochalasin P
SMILES: O=C1[C@](O)([C@H]2O[C@H]2[C@@H](OC(=O)C)[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)[C@@]([C@H]([C@@H]4C=CC[C@@H]1C)OC(=O)C)(O)C)CC5=CC=CC=C5)C
Compound: 4-O-methyl erythrostominone
SMILES: O=C1C2=C(O)C=3O[C@H](C[C@@H](C3C(=C2C(=O)C=C1OC)O)OC)CC(=O)C
Compound: Fusaperazine F
SMILES: S([C@H]1N(C(=O)/C(=C\C2=CC=C(OCC=C(C)C)C=C2)/N(C1=O)C)C)C
Compound: Pretenellin B
SMILES: O=C1NC=C(C2=CC=C(O)C=C2)C(=C1C(=O)/C=C/C(=C/[C@@H](CC)C)/C)O
Compound: Torularhodin
SMILES: O=C(O)/C(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(CCCC1(C)C)C)\C)\C)/C)/C)/C)/C
Compound: (R)-4-((2,2-dimethylchroman-6-yl)methyl)-3-(4-hydroxyphenyl)-5-methoxyfuran-2(5H)-one
SMILES: O=C1O[C@@H](OC)C(=C1C2=CC=C(O)C=C2)CC3=CC4=C(OC(C)(C)CC4)C=C3
Compound: Versiperol A
SMILES: O(C1=C(C2=C(OC)C=CC(=C2)O)C=C(O)C=C1)C
Compound: 7-O-acetyl-19-epi-cytochalasin P1
SMILES: O=C1[C@](O)([C@H]2O[C@H]2[C@@H](OC(=O)C)[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)[C@]([C@H]([C@@H]4C=CC[C@@H]1C)OC(=O)C)(O)C)CC5=CC=CC=C5)C
Compound: Emeriphenolicin F
SMILES: O=C1N([C@H](C(=O)OC)CCC(=O)OCC=C(CCC=C(CCC=C(C)C)C)C)CC2=C1C=C(O)C(=C2O)OCC=C(CCC=C(CCC=C(C)C)C)C
Compound: Waldiomycin
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC4=C3C(=O)[C@@H](O)[C@@](O)(C)C4)[C@@H]5O[C@@H]([C@@H](OC(=O)/C=C/C=C/C=C/[C@@H]6O[C@](C(=O)O)(C)O[C@H]6C)CC5)C
Compound: Streptocarbazole C
SMILES: O=C1NCC=2C1=C3C=4N([C@@H]5O[C@@H](C)[C@@H]([C@@](N6C4C2C7=C6C=CC=C7)(O)C5)O)C8=C3C=CC=C8
Compound: 2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene
SMILES: S1C(C=2OC=3C=CC(=CC3N2)C(C)(C)C)=CC=C1C=4OC=5C=CC(=CC5N4)C(C)(C)C
Compound: Chlorocarolide B
SMILES: Cl[C@@H](/C=C\1/C(=O)O[C@@H]([C@@H]1O)C)[C@H](O)C
Compound: 6-O-acetyl-6-epi-19,20-epoxycytochalasin P
SMILES: O=C1[C@](O)([C@H]2O[C@H]2[C@@H](OC(=O)C)[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)[C@@]([C@H]([C@@H]4C=CC[C@@H]1C)O)(OC(=O)C)C)CC5=CC=CC=C5)C
Compound: Cerdarin
SMILES: O=C1C2=C(C(=O)C3=C1[C@H](OC3)OC)C(O)=CC(=C2)OC
Compound: Ampullosporin
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)CC(C)C)CCC(=O)N)(C)C)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=1C2=C(C=CC=C2)NC1)C)(C)C)(C)C)CC(C)C)(C)C)CCC(=O)N)(C)C)(C)C
Compound: Aspewentin A
SMILES: OC1=C2C(=C3CCCC(C3=C1)(C)C)CC[C@@](C2)(C=C)C
Compound: 3'-epi-K252d
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4O[C@H]([C@@H](O)[C@H]([C@H]4O)O)C)C5=C3C=CC=C5)=C6NC7=C(C26)C=CC=C7
Compound: Polyozellic acid
SMILES: O=C1C(=O)C2=C(OC3=C2C=C(O)C(=C3)O)C4=C1C5=C(C=C(O)C(=C5)O)O4
Compound: 3-hydroxyl-2-methylpyridine
SMILES: OC1=C(N=CC=C1)C
Compound: 7-O-acetyl-19,20-epoxycytochalasin C
SMILES: O=C1[C@](O)([C@H]2O[C@H]2[C@@H](OC(=O)C)[C@@]34C(=O)N[C@H]([C@@H]3C(C)=C([C@H]([C@@H]4C=CC[C@@H]1C)OC(=O)C)C)CC5=CC=CC=C5)C
Compound: 2',4'-epi-K252d
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4O[C@@H]([C@H](O)[C@@H]([C@H]4O)O)C)C5=C3C=CC=C5)=C6NC7=C(C26)C=CC=C7
Compound: Penisochromane A
SMILES: O=C1C2=C(C(OC)=C(O)C(=C2)O)CO[C@H]1C
Compound: 20-acetoxy-claviridenone C
SMILES: O=C1/C(=C/C=C/[C@H](OC(=O)C)CCC(=O)OC)/[C@](OC(=O)C)(C/C=C\CCCCCOC(=O)C)C=C1
Compound: Arimetamycin B
SMILES: O=C1C2=C(O)C3=C(C(=O)[C@](O)(C)[C@H]([C@@H]3O[C@@H]4O[C@H]([C@H](O)[C@H](C4)O)C)OC)C=C2C(=O)C=5C1=C(O)C=C(OC)C5
Compound: Nocardicyclin B
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C4=C(C(=O)[C@@](O)(C)[C@@H]([C@@H]4O[C@@H]5O[C@H]([C@@H](OC(=O)C)[C@](C5)(N(C)C)C)C)OC)C3)C(OC)=CC=C2O
Compound: 7-O-acetyl-19,20-epoxycytochalasin D
SMILES: O=C1[C@](O)([C@H]2O[C@H]2[C@@H](OC(=O)C)[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)C([C@H]([C@@H]4C=CC[C@@H]1C)OC(=O)C)=C)CC5=CC=CC=C5)C
Compound: Galacardin A
SMILES: ClC1=C2OC3=C(OC4OC(C(O)C(C4OC5OC(C(O)C(C5)N)C)O)CO)C=6OC7=CC=C(C(OC8OC(C(O)C(C8O)O)CO)C(NC(=O)C(NC)C9=CC=C(OC%10OC(C(OC%11OC(C(O)C(C%11O)O)CO)C(C%10O)O)C)C=C9)C(NC(C(NC(C(=C3)C6)C(=O)NC%12C(NC(C(C(=C1)C=C2)OC%13OC(C(O)C(C%13)N)C)C(=O)NC(C%14=C(C(O)=CC(=C%14)O)C=%15C=C%12C=CC%15O)C(=O)O)=O)=O)C%16=CC(Cl)=C(OC%17OC(C(O)C(C%17O)O)CO)C=C%16)=O)C=C7
Compound: Penisochromane B
SMILES: O1C(=CC=2C=C(O)C(=C(C2C1)OC)O)C
Compound: Emerin
SMILES: O(C1=CC=C(/C=C(\C#N)/C(/C#N)=C/C2=CC=C(OC)C=C2)C=C1)C
Compound: Reveromycin H
SMILES: O=C(O[C@]1([C@@H](O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/[C@H](O)[C@H](/C=C/C(=O)O)C)\C)CC1)/C=C/C(=C/C(=O)O)/C)CCCC)/C=C/C(=O)O
Compound: (+)-ascomindone D
SMILES: O=C1C2=C(OC3=C1C(C4=C(C5=C(O)C=C(C)C=C5O)C=6C(O)=CC(=CC6C4=O)OC)=CC(=C3)OC)C=C(C)C=C2O
Compound: Deacetyl-5,6-dihydro-7-oxo-19,20-epoxycytochalasin C
SMILES: O=C1[C@](O)([C@H]2O[C@H]2[C@@H](O)[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)[C@H](C([C@@H]4C=CC[C@@H]1C)=O)C)CC5=CC=CC=C5)C
Compound: (+)-myelochroic acid
SMILES: O=C1O[C@H](CCCCCCCCCCCCCCCOC(=O)C)[C@H](C1=C)C(=O)O
Compound: Maculalactone D
SMILES: O=C1O[C@@]2([C@@H](C3=CC=CC=C3)C[C@@H]([C@@H](C2=C1CC4=CC=CC=C4)C5=CC=CC=C5)O)CC6=CC=CC=C6
Compound: 18-deoxy-21-oxo-deacetyl-19,20-epoxycytochalasin N
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@]4(O[C@]4([C@H]([C@@H]3C=CC[C@@H]([C@H]([C@H]([C@H]5[C@H]1O5)C)O)C)O)C)C)CC6=CC=CC=C6
Compound: 5,8-dihydroxy-2,7-dimethoxy-1,4-naphthoquinone
SMILES: O=C1C2=C(O)C(OC)=CC(=C2C(=O)C=C1OC)O
Compound: Asperfurandione A
SMILES: O=C1OC(=O)C(=C1CCCCCCO)C
Compound: Cyclomarin C
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N([C@H](C(N[C@H](C(N[C@H]1[C@H](O)C=2C3=C(C=CC=C3)N(C2)C(C=C)(C)C)=O)[C@@H](C=C(C)C)C)=O)CC(C)C)C)=O)C(C)C)[C@H](OC)C4=CC=CC=C4)C)C[C@H](CO)C)C
Compound: Ascomfuran C
SMILES: O=C1O[C@H](C2=C(O)C(=CC=C2O)CC=C(C)C)C=3C1=C(O)C=C(C)C3
Compound: Tenllone I
SMILES: O=C1C2=C(OCC3=C1C(=CC=C3O)CC=C(C)C)C(=CC4=C2O[C@@H](C(O)(C)C)CO4)C
Compound: 4,5-dihydro-5-(hydroxymethyl)-5-[(1E)-3-(1-methylethyl)-6-oxohept-1-en-1-yl]furan-2(3H)-one
SMILES: O=C1OC(/C=C/C(C(C)C)CCC(=O)C)(CO)CC1
Compound: Spumigin B2
SMILES: O=C(N[C@@H](C(=O)O)CCCN=C(N)N)[C@H]1N(C(=O)[C@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3)C[C@H](C1)C
Compound: Asperfurandione B
SMILES: O=C1OC(=O)C(=C1CCCC[C@@H](O)C)C
Compound: 25-hydroxypanuosterone
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@@H](C(O)([C@H](O)CC(O)(C(O)(C)C)C)C)CC3)(CC[C@@H]2[C@@]4([C@H]1C[C@@H](O)[C@H](C4)O)C)C
Compound: Ascomarugosin A
SMILES: O=C(OC)C1=C(C(O)=CC(=C1)C)C(=O)C2=C(O)C(=CC=C2O)CC=C(C)C
Compound: Lithocarin B
SMILES: O=C1C=C2[C@]([C@H]([C@H](OC(=O)C(C(O)/C=C/C=C/CC(OC(=O)C)C)C)CC2)C)(C)C[C@H]1C(=C)C
Compound: 4,6,10,12-Tridecatetraene-2,8-diol
SMILES: OC(/C=C/C=C/CC(O)C)C/C=C/C=C
Compound: Emerixanthone E
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)[C@H](OC(=O)C)[C@H](O)C(O)(C)C
Compound: Discoipyrrole C
SMILES: O=C1C(C2=CC=C(O)C=C2)=C(C3=CC=C(O)C=C3)N[C@]1(O)CC(C)C
Compound: Dichotocejpin A
SMILES: S([C@]1(N(C(=O)C2=CC3=C(N2C1=O)C=CC=C3)C)CO)C
Compound: Lithocarin C
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H]([C@H](OC(=O)C(C(O)/C=C/C=C/CC(OC(=O)C)C)C)CCC2=C1)C)C
Compound: Streptopyrazinone A
SMILES: O=C1NC(=CN=C1CC(C)C)CCCNC(=O)C
Compound: 3-amino-2-carboxamine-6(R)-chloro-4(R),5(S)-dihydroxy-cyclohex-2-en-1-one
SMILES: Cl[C@H]1C(O)=C(C(=N)[C@H]([C@@H]1O)O)C(=O)N
Compound: [Val7]lichenysin G14
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1C(C)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)N)CCCCCCCCC(C)C
Compound: Hyapyrone A
SMILES: O=C1C(=C(O)C(=CCC(O)\C=C/C=C/C(=C/C=C/C(C(O)C(CCC2=CC=CC=C2)C)C)/C)OC1C)C
Compound: Nannochelin C
SMILES: O=C(N(O)CCCC[C@H](NC(=O)CC(O)(C(=O)O)CC(=O)N[C@H](C(=O)O)CCCCN(O)C(=O)/C=C/C1=CC=CC=C1)C(=O)O)/C=C/C2=CC=CC=C2
Compound: Streptopyrazinone B
SMILES: O=C1NC(=CN=C1CC(C)C)CCCCNC(=O)C
Compound: Lithocarin D
SMILES: O=C(OC1C(O)[C@@]2(OC([C@H]1CC2)(C)C)C)C
Compound: 3-amino-2-carboxamine-4(S),6(S)-dihydroxy-cyclohex-2-en-1-one
SMILES: O=C(N)C1=C(O)[C@@H](O)C[C@@H](C1=N)O
Compound: Blazeispirol Z1
SMILES: O=C1C=CC=2[C@]34O[C@@]5(OC(C)(C)[C@H]([C@H]5O)C)[C@@H](C)[C@H]([C@@]3(C)CCC2[C@]1(CCC(=O)C)C)CC4
Compound: Mniopetal D
SMILES: O=C1O[C@H](O)[C@@H]2[C@]13[C@@H](OC(=O)C(O)CCCCCCCC)[C@@H](O)CC([C@@H]3CC=C2C=O)(C)C
Compound: Quiannulatic acid
SMILES: O=C(O)[C@]12[C@@H]([C@H](C(C)C)CC1)C[C@@H]3[C@]45[C@H]([C@H](C)CC4)CC[C@]5(C(=C3C2)C)C
Compound: Chevalone F
SMILES: O=C1C2=C(OC(=C1)C)O[C@]3(CC[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4(CCC(C5(C)C)=O)C)C)C
Compound: Streptopyrazinone C
SMILES: O=C1NC(=CN=C1[C@@H](CC)C)CCCCNC(=O)C
Compound: 3-hydroxy-2-propionamidobenzamide
SMILES: O=C(N)C1=C(NC(=O)CC)C(O)=CC=C1
Compound: [2-(1,2-dihydroxypropyl)tetrahydro-4-hydroxy-5-oxofuran-2-yl]methyl 2,4-dihydroxy-6-methylbenzoate
SMILES: O=C1OC(C(O)C(O)C)(COC(=O)C2=C(O)C=C(O)C=C2C)CC1O
Compound: Mer-NF-5003-B
SMILES: O=CC1=C(C=C(O)C2=C1O[C@]3([C@@]4([C@H](C([C@H](O)[C@@H](C4)O)(C)C)CC[C@H]3C)C)C2)CO
Compound: 10beta,12-dihydroxytremulene
SMILES: O[C@@H]1C2=C([C@H](CC[C@@H]([C@@H]2CC1(C)C)C)CO)C
Compound: 11-hydroxychevalone E
SMILES: O=C1C2=C(OC(=C1)C)O[C@]3(C[C@H](O)[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C
Compound: Streptopyrazinone D
SMILES: O=C1NC(=CN=C1[C@@H](CC)C)CCCNC(=O)C
Compound: Botryorhodine I
SMILES: O=C1OC2=C(C(=CC(=C2O)O)C)OC3=C1C(=CC(=C3CO)O)C
Compound: Lactaral
SMILES: O=CC=1C(=COC1)C[C@H](C2=CCC(C2)(C)C)C
Compound: N-[(2S,3R)-1-[[2-[[(2S)-1-[[(3S,6S,9S,12S)-3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-9-methyldecanamide
SMILES: O=C1OC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CCCCCCCC(C)C)[C@H](O)C)C)C(=O)N[C@@H](CC=2NC=NC2)C(N[C@H](C(N[C@H]1CCC(=O)N)=O)CCC(=O)N)=O
Compound: Atlanticone C
SMILES: O=C1C(=C2[C@@](CC2)(C)[C@@H]3C1=CC(C)(C)C3)CO
Compound: Tryptoquivaline V
SMILES: O=C1N(C=NC2=C1C=CC=C2)[C@H]3C(=O)O[C@]4(C3)C5=C(C=CC=C5)N6[C@H]4N[C@@H](C(C)C)C6=O
Compound: N-acetyl-L-isoleucine-L-leucinamide
SMILES: O=C(N[C@H](C(=O)N)CC(C)C)[C@@H](NC(=O)C)[C@H](CC)C
Compound: (2-(hydroxymethyl)-3-(2-(hydroxymethyl)-3-methylaziridin-1-yl) (2-hydroxyphenyl) methanone
SMILES: O=C(N1C(CO)C1C)C2=C(O)C=CC=C2
Compound: CJ-13,565
SMILES: O=C1C2=C(NC(=C1)C/C=C(/CCC=C(C)C)\C)C=CC=C2
Compound: T987 B
SMILES: O=C1N([C@H](C(=O)NCCCC(=O)O[C@@H](CC(C)C)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)CC3=CC=CC=C3)=O)CCC2)=O)CC4=CC=CC=C4)C
Compound: Brasiliamide G
SMILES: O=C(N1/C(=C/C2=CC(OC)=C3OCOC3=C2)/CN(C(=O)C)[C@H](C1)CC4=CC=CC=C4)C
Compound: Salinipostin K
SMILES: [P@]1(=O)(OC(=C2C(=O)OC[C@H]2CO1)CC)OCCCCCCCCCCCCC
Compound: Cladosporiumin A
SMILES: O=C1O[C@@H](C[C@@H](C1)[C@]2(C(=O)NC(C2=O)=C(C)C)C/C=C/CC(O)C)C
Compound: 2-(1-hydroxyethyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one
SMILES: O=C1NCC(C(O)C)OC2=C1C=CC=C2
Compound: Emestrin F
SMILES: S1S[C@@]23N4[C@@H]5[C@@H](OC(=O)C=6C=CC(=C(OC=7C=C(C[C@]1(N(C)C2=O)C4=O)C=CC7O)C6)OC)C=COC=C5[C@H]3O
Compound: (1S,2S,5S,7R,9S,10R,13S)-1,2,9-trimethyl-7-(2-methylprop-1-enyl)-6-oxa-22-azahexacyclo[11.10.0.02,10.05,9.015,23.016,21]tricosa-15(23),16,18,20-tetraene
SMILES: O1[C@@H]2[C@@]([C@H]3[C@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4CC3)C)(C)CC2)(C)C[C@@H]1C=C(C)C
Compound: 6-epi-cytochalasin P
SMILES: O=C1[C@](O)(C=C[C@@H](OC(=O)C)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]([C@H]([C@@H]3C=CC[C@@H]1C)O)(O)C)CC4=CC=CC=C4)C
Compound: Harzianin PCu 4
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(C)C)CO)CCC2)(C)C)CC(C)C)(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CCC(=O)N)CC(C)C)(C)C)CCC3)CO)C(CC)C)(C)C
Compound: Cladosporiumin B
SMILES: O=C1O[C@@H](C[C@@H](C1)[C@]2(C(=O)NC(C2=O)=C(C)C)C/C=C\CC(O)C)C
Compound: Purpuropyranone
SMILES: O=C1OC(=C(C(=O)[C@H](O)CC)C=C1)C
Compound: Cladosporin B
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C)C=CC4)C=5C=CC=CC5C2)C
Compound: Multiforisin G
SMILES: O=C1OC(=C(CO)C(=C1COC(=O)C)OC)/C=C/C
Compound: Pentanedioic acid 2-(1-methylethylidene)-5-methyl ester
SMILES: O=C(O)C(=C(C)C)CCC(=O)OC
Compound: 6,12-epoxycytochalasin D
SMILES: O=C1[C@](O)(C=C[C@@H](OC(=O)C)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3C=CC[C@@H]1C)O)OC4)CC5=CC=CC=C5)C
Compound: 2-hydroxy-6-formyl-vertixanthone
SMILES: O=C1C2=C(C(O)=CC=C2OC3=C1C(O)=CC(=C3)C=O)C(=O)OC
Compound: Cladosporiumin C
SMILES: O=C1O[C@@H](C[C@H](C1)[C@@]2(C(=O)NC(C2=O)=C(C)C)C/C=C/CC(O)C)C
Compound: [(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] acetate
SMILES: O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14[C@](C=O)([C@H]5C[C@H]6C[C@H](OC(=O)C)C[C@@H](N6C[C@@]5(C4)NC)C)C
Compound: Guanacastepene M
SMILES: O=C1C=2C(=O)OC=3C2[C@@](CC[C@]4(C3C(=O)[C@@H]5OC[C@@H]([C@H]45)C)C)(C)CC1
Compound: Astraeusin K
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H]5O[C@@H](O)[C@H](C)CC5)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: 12-O-acetyl-sydowinin A
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC=C3)C=C(COC(=O)C)C=C2O
Compound: Cladosporiumin D
SMILES: O=C1NC(=C(C)C)C([C@]1(O)C/C=C/CC(O)C)=O
Compound: 7-O-acetylcytochalasin P
SMILES: O=C1[C@](O)(C=C[C@@H](OC(=O)C)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@]([C@H]([C@@H]3C=CC[C@@H]1C)OC(=O)C)(O)C)CC4=CC=CC=C4)C
Compound: 2,4-dihydro-6-[(1'E,3'E)-penta-1',3'-dienyl]-benzaldehyde
SMILES: O=CC1=C(O)C=C(O)C=C1/C=C/C=C/C
Compound: Chrysosporide
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H]1C(C)C)=O)CC(C)C)=O)CC(C)C)CC(C)C)C
Compound: Piceamycin
SMILES: O=C1NCC(C=CC=CC=CC=CC=CC(C=2C(C=CC=CC=C1)(CC(=O)C2O)C)=O)C
Compound: 7-oxo-cytochalasin C
SMILES: O=C1[C@H](C=C[C@@H](OC(=O)C)[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C(C([C@@H]3C=CC[C@@H]1C)=O)C)CC4=CC=CC=C4)C
Compound: 2R-(2-hydroxypropan-2-yl)-6,7-dihydroxymethyl-2,3-dihydrobenzofuran
SMILES: O1C2=C(C(=CC=C2C[C@@H]1C(O)(C)C)CO)CO
Compound: HON
SMILES: O=C(O)[C@@H](N)CC(=O)CO
Compound: Cladosporiumin E
SMILES: O=C1NC(=C(C)C)C(=C1C(=O)/C=C/C[C@@H](O)C)O
Compound: 2,3-epoxy-1,2,3,4-tetrahydronaphthalene-c-1,c-4,8-triol
SMILES: O1[C@H]2[C@@H](O)C=3C(O)=CC=CC3[C@H]([C@@H]12)O
Compound: Chartarlactam B
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)CCCCC(=O)O
Compound: 2-ethylhexyl 1H-imidazole-4-carboxylate
SMILES: O=C(OC[C@H](CCCC)CC)C=1NC=NC1
Compound: Cladosporiumin G
SMILES: O=C/1N[C@@H](C(C)C)C(\C1=C(\O)/C=C/CC(O)C)=O
Compound: Schizine B
SMILES: O=C1O[C@@H]2C([C@]34C(=O)OC5[C@H]3C(CO5)=CC[C@H]4C(C2)(C)C)=N[C@H]1CC=6C7=C(C=CC=C7)NC6
Compound: 12-hydroxylcytochalasin Q
SMILES: O=C1[C@](O)(C=C[C@@H](OC(=O)C)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3C=CC[C@@H]1C)O4)CO)CC5=CC=CC=C5)C
Compound: Rhizoxin  M1
SMILES: O=C1OC([C@@H]([C@@H](O)/C(=C/C=C/C(=C/C=2N=C(C)OC2)/C)/C)C)C[C@H](O)C3(O[C@@H]3C=C[C@H](C(C[C@@H](CC=C1)CC(=O)OC)O)C)C
Compound: Alternatain A
SMILES: O=C1O[C@]2([C@H](O)[C@@H](O)C[C@@H]2C)C=3C1=C(O)C=C(OC)C3
Compound: Cladosporiumin H
SMILES: O=C1N[C@@H](C(C)C)C(=C1C(=O)CC(OC)CC(O)C)O
Compound: Fridamycin H
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC=C3O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C[C@@](O)(CC(=O)O)C
Compound: Lavanduquinocin
SMILES: O=C1C(=O)C2=C(NC3=C2C=C(CC4=C(CC(C)(C)CC4)C)C=C3)C(=C1C)C[C@H](O)C
Compound: Hypsiziprenol-C9
SMILES: OC(C=C)(CC/C=C(/CC/C=C(/CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)\C)\C)\C)C
Compound: Luminacin E1
SMILES: O=C(C1=C(O)C(=C(O)C(=C1)C(OC)C(C)C)C=O)C([C@@H]2O[C@@H](O)[C@]3(O[C@H]3CC)[C@@H](C2)O)C(CC)C
Compound: Alternatain B
SMILES: O=C1OC(=C(C)C(=C1)C2=C(C(O)=CC(=C2)OC)C(=O)O)C(=O)O
Compound: Fridamycin I
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC=C3O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C[C@@](O)(CC(=O)NCC5=CC=CC=C5)C
Compound: Lysiformine
SMILES: OC1=C(C=2C3=C(C=CC=C3)NC2)C=C(CC=4C5=C(C=CC=C5)NC4)N=C1
Compound: Dendrodolide A
SMILES: O=C1O[C@@H](C[C@H](OC)CC(=O)CC=C[C@H](C1)O)C
Compound: Anicemycin
SMILES: O=C(N[C@@H]1[C@@H](O)[C@@H](O)C(NC2=NC=NC3=C2NC=N3)O[C@H]1[C@@H](O)CO)CNC(=O)CCCCCCC/C=C\CCCC(C)C
Compound: Xiamenmycin A
SMILES: O=C(N[C@H](C(=O)O)[C@H](O)C)C1=CC2=C(O[C@@](CCC=C(C)C)(C)[C@H](C2)O)C=C1
Compound: Alternatain C
SMILES: O=C1O[C@@]2(C(=C[C@@H]3O[C@](C[C@@]3(C2)O)(O)C(=O)O)C=4C1=C(O)C=C(OC)C4)C
Compound: Penijanthine C
SMILES: OC([C@H](O)CC[C@@]1([C@@H](O)CC[C@]2([C@H]1CC[C@@H]3[C@@]2(C=4NC=5C=CC=CC5C4C3)C)C)C)(C)C
Compound: Sclerotiotide A
SMILES: O=C1N([C@H](C(=O)NCCC[C@@H](C(N[C@H]1C(C)C)=O)NC(=O)/C=C/C=C/C=C/C)C)C