MonarchInit/C3PO huggingface dataset:
Compound: Purple pigment
SMILES: O(C=1C(N=C(C1)C=2NC=CC2)=CC=3NC(C=4NC=CC4)=CC3OC)C
Compound: Amycomycin D
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=CC3)C4=C(O[C@@H]5O[C@H]([C@@H](O)[C@H]([C@H]5O)O)C)C=C(C)C=C4C=C2O
Compound: Macrolactin Z
SMILES: O=C1O[C@H](CCCC=CC=C[C@H](O)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)OC(=O)CCC(=O)OC)C
Compound: (1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
SMILES: O=C1O[C@@H](C[C@@H]2O[C@H]([C@@H](C(=O)O[C@@H](C[C@@H]3O[C@H]([C@@H](C(O[C@@H](C[C@@H]4O[C@H]([C@@H]1C)CC4)C)=O)C)CC3)C)C)CC2)CC
Compound: Lichenysin-G5a
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC(C(NC1C(C)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)N)CCCCCCCCCC(C)C
Compound: Epicoccin C
SMILES: S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@H]7CC([C@@H]6C[C@]5(C4=O)SS7)=O)C[C@H]3C(C2)=O
Compound: Deacetylmycoepoxydiene
SMILES: O=C1O[C@H]([C@@H](O)C=C1)[C@H]2[C@H]3O[C@@H]([C@H]2C)C=CC=C3
Compound: Hypomycetin
SMILES: O=C1C2=C(O)C3=C(O)C=C(OC)C=C3C(=C2[C@H](O)[C@@]4([C@@]1(O)C(O)=C(C(=O)C4)C(=O)C)O)CC=C(C)C
Compound: (3E,9Z,12Z)-7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol
SMILES: Cl[C@@H]([C@H](O)C/C=C\C#C)C/C=C\C/C=C\CC
Compound: Wentiquinone B
SMILES: O=C1OC2=C(C(O)=CC(=C2)C)C(C3=C1C=C(OC)C=C3OC)=O
Compound: Cristatumside A
SMILES: O=C(OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1=C(OC)C=C(OC)C=C1C
Compound: Chenopodolan B
SMILES: O1C(=CC(C(O)C)=C2C1OC(C)=C2OC)C
Compound: 17(21)-hopen-12beta-ol
SMILES: O[C@H]1[C@H]2[C@]([C@@]3(CC[C@@H]4[C@@]([C@H]3C1)(CCCC4(C)C)C)C)(CCC=5[C@@]2(CCC5C(C)C)C)C
Compound: Lustromycin
SMILES: O=C1OCC2C=C(C34OC5CC(C3C(C5)C=CC4C(OC)C(C(OC2C(O)COC=CC6=C(CC1)C(=O)OC6=O)=O)OC)O)C
Compound: Transvalencin Z
SMILES: O=C(NC(C(=O)O)CCCCNC=O)C1N=C(C2=C(O)C=CC=C2)OC1
Compound: 4-Desmethyl-10,11-didehydroepothilone D
SMILES: S1C(=NC(=C1)/C=C(/C2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](CC=CC(=CC2)C)C)C)C)\C)C
Compound: (4-Hydroxy-3,5-dinitrophenyl)acetic acid methyl ester
SMILES: O=[N+]([O-])C1=C(O)C([N+](=O)[O-])=CC(=C1)CC(=O)OC
Compound: Isochromophilone IIa
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C)[C@@H](CC(=O)C)[C@](C1=O)(O)C
Compound: Cyclopiamide J
SMILES: O=C1N(C=2C=CC=C3C2[C@@]14O[C@]5(O)[C@](O)(C(=O)N6[C@@]5([C@@H]4[C@H](C6(C)C)C3)O)CC(=O)C)C
Compound: Phosmidosine C
SMILES: P(=O)(OC[C@H]1O[C@@H](N2C(=O)NC=3C2=NC=NC3N)[C@@H]([C@@H]1O)O)(OC)N
Compound: Roseoferin D2
SMILES: O=C(NC(C(=O)NC(CN(CCO)C)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(CCCCCC)C)CCC1)CC(CC(O)CC(=O)CC)C)C)(C)C)C(CC)C)C(C)C)(C)C
Compound: Pestalotiopyrone B
SMILES: O=C1OC(=CC(=C1C)OC)[C@@H](O)C
Compound: Soudanone C
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2)CCCCCCC(=O)O
Compound: Cytospolide O
SMILES: O=C1O[C@@H]([C@H]2O[C@@H](CC([C@H]1C)=O)CC2)CCCCC
Compound: (1S,2R)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-butyric acid
SMILES: O=C1[C@@H]([C@@H](CCCC(=O)O)CC1)C/C=C\CC
Compound: Hamigeran B
SMILES: BrC1=C(O)C=2C(=O)C(=O)[C@@]3(CC[C@@H]([C@@H]3C2C=C1C)C(C)C)C
Compound: Penijanthine A
SMILES: O1[C@H](C(=C)C)[C@H](O)C=C2[C@@H]1CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(CC=5NC6=C(C45)C=CC=C6)C)C
Compound: Neobulgarone G
SMILES: ClC1=C(O)C=C(O)C2=C1[C@H](C=3C=C(CO)C=C(C3C2=O)OC)[C@@H]4C5=C(Cl)C(O)=CC(=C5C(=O)C6=C4C=C(C)C=C6OC)O
Compound: N-carboxamido-staurosporine
SMILES: O=C1NCC=2C1=C3C=4N([C@@H]5O[C@](N6C4C2C7=C6C=CC=C7)([C@H](OC)[C@@H](C5)N(C(=O)N)C)C)C8=C3C=CC=C8
Compound: 210-A
SMILES: O=C1NC(=O)C[C@H]2C(=O)[C@H](C[C@@H]([C@@H]2CC[C@@H](C1)O)C)C
Compound: Omphalotin H
SMILES: O=C1N([C@H](C(=O)N(C(OC(=O)C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N(CC(=O)N2[C@@H]3N(O)C=4C=CC=CC4[C@]3(O)C[C@H]2C(=O)N([C@H](C(N[C@@H](C(N([C@H](C(N([C@H](C(N(CC(N([C@H]1C(O)(C)C)C)=O)C)=O)C(C)C)C)=O)C(C)C)C)=O)C(CC)C)=O)C(C)C)C)C)[C@H](CC)C)C)C(C)C)C)[C@H](C(OC(=O)C)C)C)C
Compound: Musacin B1/B2
SMILES: O=C1OCC(C1O)COC(=O)/C=C/C(O)C(O)/C=C/C
Compound: Xylarinic acid B
SMILES: O=C(O)/C(=C/C(CC(CC)C)C)/C
Compound: (1R,3S,9S,23S,24R)-23-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione
SMILES: S1S[C@@]23N4[C@@H]5[C@@H](OC(=O)C=6C=CC(=C(OC=7C=C([C@@H]([C@]1(N(C)C2=O)C4=O)O)C=CC7OC)C6)OC)C=COC=C5C3
Compound: Cyclipostin G
SMILES: [P@]1(=O)(OC(=C2C(=O)OC[C@@H]2CO1)C)OCCCCCCCCCCCCC(=O)CCC
Compound: (+)-delta-araneosene
SMILES: C1(=CCCC(=CC[C@@]2(C(CC1)=C(C(C)C)CC2)C)C)C
Compound: 3-methoxy-5-methylnaphthalene-1-carboxamide
SMILES: O=C(N)C=1C=2C(=C(C=CC2)C)C=C(C1)OC
Compound: Bafilomycin H
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@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)OC)C(C)C)OC)C)C
Compound: Balgacyclamide A
SMILES: S1C2=NC(=C1)C(=O)N[C@@H](C=3O[C@H](C)[C@H](N3)C(=O)N[C@H](C4=N[C@H](C(N[C@@H]2[C@H](CC)C)=O)[C@H](O4)C)C(C)C)C
Compound: Kutzneride 8
SMILES: ClC1=C(Cl)C=CC2=C1N[C@H]3N4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(NCC(C5)Cl)C([C@@H](OC([C@H](NC([C@@H]4C[C@@]23O)=O)C6(CC6)C)=O)C(C)(C)C)=O)COC)[C@H](O)CC(=O)O
Compound: (2E)-2-[(5E)-5-[2-(2-hydroxyethylamino)-2-oxo-1-phenylethylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetic acid
SMILES: O=C(O)\C(\C1=CC=CC=C1)=C/2\OCO\C2=C(/C3=CC=CC=C3)\C(=O)NCCO
Compound: 16-O-(2'',3'',4'',6'-tetra-O-acetyl-beta-cellobiosyl)-2-hydroxydecanoic acid
SMILES: O=C(O)C(O)CCCCCCCCCCCCCCO[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@@H]([C@H]2OC(=O)C)OC(=O)C)CO)[C@@H]([C@H]1O)O)COC(=O)C
Compound: Neohydroxyaspergillic acid
SMILES: O=C1N(O)C(=CN=C1CC(C)C)[C@@H](O)C(C)C
Compound: Katorazone
SMILES: O=C1C2=C(O)C=3C(C=C(C)NC3C)=C(C2=CC=C1)N=NC4=C(C(=O)OC)C=CC=C4
Compound: Epothilone H2
SMILES: O=C1C([C@@H](O)CC(=O)O[C@H](/C(=C/C=2N=C(C)OC2)/C)CC=C(CCC[C@@H]([C@@H]([C@H]1C)O)C)C)(C)C
Compound: Vulgaredilone
SMILES: O=C1OC(CC2=C1C=C3OC(=O)C(C3=C2)CCCCCCCCCCCC)CCC(C)C
Compound: Zhankuic acid E
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CC[C@H]([C@H]3C)O)C)[C@@H]4CC[C@@H]([C@]4([C@H]1O)C)[C@@H](CCC(=C)C(C(=O)OCC)C)C
Compound: Ambewelamide A
SMILES: S1S[C@]23N([C@@H]4[C@H]5O[C@H]5[C@H](C=C4C2)OC(=O)C)C([C@]16N([C@@H]7[C@H]8O[C@H]8[C@H](C=C7C6)OC(=O)CCC)C3=O)=O
Compound: Ymf 1029E
SMILES: O=C1C2=C3C(O[C@@]45C=6C(=C(O)C=CC6O[C@@]3(O4)[C@H]7[C@@]1(O)CCC7)[C@@H](O)[C@@H]8[C@H]5O8)=CC=C2
Compound: Galiellalactone
SMILES: O=C1O[C@@H]2CC[C@H]3C2(C1=C[C@H](C3)C)O
Compound: Scabichelin
SMILES: O=C1N(O)CCC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC)CCCN(O)C(=O)[C@@H](NC(=O)[C@@H](NC)CCCN(O)C=O)CO)CCCN
Compound: 15-Deoxo-7,32-O-didesmethyl-rapamycin
SMILES: O=C1[C@H](O)[C@H](O)C(=C[C@H](C(=O)C[C@@H](OC(=O)[C@H]2N(C(=O)C[C@@]3(O[C@@H](C[C@@H](C(=CC=CC=C[C@H](C[C@H]1C)C)C)O)CC[C@H]3C)O)CCCC2)[C@@H](C[C@H]4C[C@H](OC)[C@H](O)CC4)C)C)C
Compound: Teraspiridole A
SMILES: O=C1OC([C@@H]2C[C@H](OC(=O)C)[C@@]3([C@@H]([C@]2(C=C1)C)CC[C@]4([C@H]3C[C@@]5(C6=C(C=CC=C6)N7[C@@H]5N[C@@H](C)C7=O)O4)C)C)(C)C
Compound: Dendroamide B
SMILES: S1C2=NC(=C1)C(=O)N[C@@H](C=3OC(C)=C(N3)C(=O)N[C@@H](C4=NC(C(N[C@@H]2CCSC)=O)=CS4)C)C
Compound: Paecilonic acid B
SMILES: O=C(O)CCCCC[C@H]1O[C@]2([C@H](O)CC[C@@H]1O2)CCCCCCCCCCCC
Compound: Nikkomycin So(x)
SMILES: O=C1N(C=C(N1)C=O)C2OC3C(O)C(O)C(OC3C2O)C(=O)O
Compound: 10-epi-hamigeran K
SMILES: BrC1=C(O)C=2C(=O)[C@H](O)[C@@]3(CC[C@@H]([C@@H]3C2C=C1C)C(C)C)C
Compound: 3-Isobutylpropanamide-2-cyclopenten-1-one
SMILES: O=C1C=C(CCC(=O)NCC(C)C)CC1
Compound: Ganosineniol A
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)[C@@H](CO)C)C)[C@@H](O)CC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: (2Z,4E)-5-{3-[(2E)-4-hydroxy-4-methylpent-2-en-1-yl]-3-methyloxiran-2-yl}-3-methyl-1-(1H-pyrrol-2-yl)penta-2,4-dien-1-one
SMILES: O=C(C=1NC=CC1)/C=C(\C=C\C2OC2(C/C=C/C(O)(C)C)C)/C
Compound: Tuberculariol D
SMILES: O1[C@@]2([C@@H](O)[C@@H]3[C@](O)(C)CC[C@H]3[C@]1(CC[C@@H]2C)C)C
Compound: Nodulisporic acid A
SMILES: O=C1C2=C3C(C=4C[C@H]5[C@](C4N3[C@H]1C(=C)C)([C@@]6([C@H]([C@](/C=C/C=C(/C(=O)O)\C)([C@@H](O)CC6)C)CC5)C)C)=CC7=C2[C@@H](O)[C@@H]8C(OC(C=C78)(C)C)(C)C
Compound: Drazepinone
SMILES: O=C1N[C@]2(OC3=CC4=CC=CC=C4C=C3[C@H]2[C@@H](C=C1C)C)C
Compound: (25S,3'S)-(+)-12alpha-hydroxy-3alpha-(3'-hydroxy-4'-methoxycarbonyl-3'-methylbutyryloxy)-24-methyllanosta-8,24(31)-dien-26-oic acid
SMILES: O=C(O)[C@H](C(=C)CCC([C@@H]1[C@@]2([C@@](C3=C([C@@]4(C(C([C@H](OC(=O)CC(O)(CC(=O)OC)C)CC4)(C)C)CC3)C)C[C@@H]2O)(C)CC1)C)C)C
Compound: Monankarin C
SMILES: O=C1OC2=C(C(=C(C)C(=C2C)O)C(C(O)C)C)C=C1C=3OC(CC(C3)=O)C
Compound: Colobetaolactone II
SMILES: O=C1O[C@@H]([C@H]([C@@H]2[C@@]3([C@@](C4=C([C@]5([C@H](O)C[C@H](O)C([C@@H]5CC4)(C)C)C)CC3)(C)CC2)C)C)CC=C1C
Compound: (4Z)-annimycin
SMILES: O=C1C(NC(=O)C[C@H](O)\C=C/C=C/C(=C/C=C/CC)/C)=C(O)CC1
Compound: Radiosumin
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)C)/C=C\1/C=C[C@H](N)CC1)C=C2CCC(NC(=O)C)CC2
Compound: 14-deoxy-oxacylododecindione
SMILES: ClC1=C(O)C=C(O)C2=C1CC(=O)OC(C(C)CCC=C(C2=O)C)C
Compound: Scorpinone
SMILES: O=C1C2=C(OC)C=C(OC)C=C2C(=O)C3=C1C=NC(=C3)C
Compound: Xylaranol A
SMILES: O[C@]1([C@@H]2[C@@H]([C@H](C)CC2)C[C@H](CC1)C(=C)CO)C
Compound: A88696C
SMILES: O=C1O[C@@]23[C@@](C=C(C)[C@@H](C2)CC)(CCC[C@H](C[C@@H](CC1=C3O)C)C)C
Compound: Nobilamide D
SMILES: O=C/1O[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C)CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(N[C@H](C(N\C1=C/C)=O)C)=O)C
Compound: Tenellic acid A
SMILES: O=C(O)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C=O)[C@@H](OC)CC(C)C
Compound: Luminacin F
SMILES: O=C(C1=C(O)C(=C(O)C(=C1)CC(C)C)C=O)C(C2O[C@@H](O)C3(O[C@H]3CCC)[C@@H](C2)O)CCC
Compound: Calocerin D
SMILES: Cl/C=C\1/OC2=C(C=C(C(=O)O)C=C2)C=CO1
Compound: Juvenimicin C
SMILES: O=C1C=C[C@@]2(O[C@H]2[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]([C@H](C[C@H]1C)CC)O[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3O)O)C)C)O)CC)C)C
Compound: Anhydrowaraterpol C
SMILES: OC1=C(C(=C)CCC[C@@H](CO)C)C=CC(=C1)CO
Compound: Decarboxyhypothamnolic acid
SMILES: O=C(OC1=C(O)C(=C(O)C=C1C)C)C2=C(O)C(=C(OC)C=C2C)C(=O)O
Compound: Retipolide C
SMILES: O=C1OCCC2=CC(OC3=CC=C(C[C@]14OC(=O)C(=C4C=5C=COC(CC5)=O)O)C=C3)=C(O)C=C2
Compound: 5-aminosalicylaldehyde
SMILES: [H]C(=O)c1cc(N)ccc1O
Compound: Agariblazeispirol A
SMILES: O1[C@]23C=CC=4C(=C(OC)C=CC4[C@]2(CC[C@@H]3[C@@H]([C@@]15OC(C)(C)[C@H]([C@H]5O)C)C)C)C
Compound: Cylindrol A4
SMILES: ClC1=C(O)C(=C(O)C(=C1C)C=O)C/C=C(/[C@H](OC(=O)CC(C)C)C[C@@]2([C@H](C(=O)CC[C@H]2C)C)C)\C
Compound: Neomethynolide
SMILES: O=C1OC(C(C=CC(=O)C(CC(C(C1C)O)C)C)C)C(O)C
Compound: Lyngbyabellin E
SMILES: ClC(Cl)(CCC[C@@H]1OC(=O)C=2N=C([C@H](OC(=O)C[C@@H](OC(=O)C)[C@@H](NC(=O)CCC)CC(C)C)COC(C=3N=C([C@@H](OC([C@H]1C)=O)C(O)(C)C)SC3)=O)SC2)C
Compound: Lolitrem E
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](O)[C@H](O7)C(OCC=C(C)C)(C)C)C)O)C=C2)C[C@@H]9[C@@H]1C(OC9(C)C)(C)C
Compound: CJ-13,104
SMILES: O=C1OC(CCCCCCCCCCCCC(O)C)C=2C1=C(OC)C=C(OC)C2
Compound: Scabronine H
SMILES: O=C(OCC1=C[C@H](O)[C@@]2(CC[C@@]3(C([C@H]2C[C@@H]1O)=C([C@H](CO)C)CC3)C)C)C4=CC=CC=C4
Compound: NBRI23477 A
SMILES: ClC(Cl)(C(CC(C(=O)C=1C(=O)NC(OC)=C(C1O)OC)C)C)C
Compound: 3-hydroxy-2-(hydroxymethyl)-4-(14-methylpentadecanoyl)-2H-furan-5-one
SMILES: O=C1O[C@@H](CO)C(=C1C(=O)CCCCCCCCCCCCC(C)C)O
Compound: mesalaminate(1-)
SMILES: Nc1ccc(O)c(c1)C([O-])=O
Compound: Bioxalomycin beta2
SMILES: O=C1C(OC)=C(C(=O)C2=C1C3N4C([C@@H]5C[C@@H]6C7N(C2C4C6N5C)CCO7)OC3)C
Compound: 4,8-Dihydroxyfuran
SMILES: O1C=C2[C@H](O)[C@@H]([C@H]3CC(C[C@H]3[C@@H](C2=C1)O)(C)C)C
Compound: Actinomycin G6
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C3N=C4C(=C(C(=O)C(=C4C(=O)OC[C@H](O)[C@@H]5NC(=O)[C@@H](N(C(=O)CN(C)C([C@H]6N(C([C@H](NC5=O)C(C)C)=O)CCC6)=O)C)C)N)C)OC3=C(C)C=C2)C(=O)N[C@@H](C(=O)N7[C@@H](C)C[C@@H]([C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)O)C(C)C)C
Compound: Ganosinensin A
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC[C@H](O)C(O)(COC(=O)/C(=C\C(=O)C5=C(O)C=CC(=C5)O)/CCC=C(CCC=C(CO)C)C)C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Enniatin M1
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1C(C)C)C)=O)[C@H](CC)C)=O)C(C)C)C)C(C)C)C(C)C)C)[C@](O)(CC)C
Compound: Ascolactone B
SMILES: O=C1O[C@@](C(=O)[C@@H](CC)C)(C)C=2C1=C(O)C(=C(O)C2)C(=O)O
Compound: Musacin C
SMILES: O=C(OCC(C(O)C(=O)OC)CO)C=CC(O)C(O)C=CC
Compound: Isofusidienol A
SMILES: O=C1C=2C(C(=O)OC)=COC=CC2OC3=C1C(O)=CC(=C3)C
Compound: 12-epi-fischerindole W nitrile
SMILES: Cl[C@H]1[C@@](C=C)([C@@H](C#N)C=2C3=C(NC4=C3C=CC=C4)C(=CC2C1)C)C
Compound: Lomaiviticin E
SMILES: O=C1C2=C(C(O)=C3C(=[N+]=[N-])C4=C(C3=C2O)C(=O)[C@@H]([C@@](O[C@@H]5O[C@H]([C@H](OC)[C@H](C5)OC)C)(CC)[C@@H]4O[C@H]6O[C@H]([C@H](N(C)C)[C@H](C6)O)C)[C@H]7C(O)=C8C9=C(O)C%10=C(C(=O)C=CC%10=O)C(=C9C=C8[C@H]([C@]7(O[C@@H]%11O[C@H]([C@H](OC)[C@H](C%11)OC)C)CC)O[C@H]%12O[C@H]([C@H](N(C)C)[C@H](C%12)O)C)O)C(=O)C=C1
Compound: 5-bromouracil
SMILES: Brc1c[nH]c(=O)[nH]c1=O
Compound: 6'-O-demethylnigerone
SMILES: O=C1C=2C(OC(=C1)C)=C(C3=C4OC(=CC(C4=C(O)C=5C3=CC(OC)=CC5O)=O)C)C6=CC(OC)=CC(=C6C2O)OC
Compound: Pyrrolizixenamide A
SMILES: O=C1C=C(NC(=O)CCCCC)N2[C@H]1CCC2
Compound: 12-Methyltetradecan-2-one
SMILES: O=C(CCCCCCCCC[C@H](CC)C)C
Compound: Velleral
SMILES: O=CC=1C(=C[C@@H]2CC(C)(C)C[C@@H]2[C@H](C1)C)C=O
Compound: Oidiodendrolide B
SMILES: O=C1O[C@H](OC)[C@@]23O[C@@H]2[C@H]4OC([C@@]5([C@H]4[C@@]([C@]3(C1)O)(CCC5)C)C)=O
Compound: Mevalagmapeptide
SMILES: O=C(N([C@H](C(=O)N[C@H](C(=O)NCCCCN=C(N)N)C(C)C)C(C)C)C)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C)C)C(C)C
Compound: Inonotsutriol C
SMILES: OC([C@@H]1[C@H](O)[C@@H]([C@@H]2[C@@]3([C@@](C=4C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)=CC3)(C)CC2)C)CC1)(C)C
Compound: Truncateol F
SMILES: O1[C@@H]2[C@@]3(O[C@@H]3[C@H](O)[C@H](C2)C#CC(=C)C)C[C@@H]1C(O)(C)C
Compound: isosilybin A
SMILES: [H][C@@]1(OC2=C(O[C@@H]1CO)C=C(C=C2)[C@@]1([H])OC2=C(C(O)=CC(O)=C2)C(=O)[C@@H]1O)C1=CC(OC)=C(O)C=C1
Compound: Deoxy-PF1140
SMILES: O=C1NC=CC2=C1[C@H]3[C@@](C[C@H](C)C[C@@H]3C)(C)[C@H](O2)C
Compound: 5-bromouridine
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O
Compound: Talapolyester F
SMILES: O=C1O[C@H](CC(=O)O[C@@H](CC(=O)O[C@H](CC(=O)O[C@H](C)CC=2C(C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(O)C3)C)=O)C)=O)=C(O)C=C(O)C2)C)C)C
Compound: Bisordariol D
SMILES: O([C@H](/C=C/C1=C(C(O)=CC=C1)CO)[C@@H](O)C)CC2=C(O)C=CC=C2/C=C/[C@@H](O)[C@@H](O)C
Compound: Paecilomycin E
SMILES: O=C1O[C@H](CCC[C@H](O)[C@@H](O)[C@H](CC=CC=2C1=C(O)C=C(OC)C2)O)C
Compound: A-108836
SMILES: S(=O)(=O)(O[C@@H]1C([C@H]2[C@](C=3C([C@H]4[C@]([C@@H]([C@@H](CCC(=C)C(C)C)C)CC4)(C)[C@H](C3)OC)=CC2)(C)C[C@H]1O)(C)C)O
Compound: Rubiginone D2
SMILES: O=C1C2=C3C(=O)[C@@H](O)[C@@H](C)[C@H](C3=CC=C2C(=O)C4=C1C=CC=C4OC)O
Compound: CJ-13,136
SMILES: O=C1C2=C(NC(=C1C)C/C=C(/CCC=C(C)C)\C)C=CC=C2
Compound: Nocarsin A
SMILES: O=C1N2C=3N(C=CC3C=C2)C(N1)=O
Compound: Pradimicin-T2
SMILES: O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](OC5OC(C(O)C(C5O)O)C)[C@H](C3C=C2C(=O)C6=C1C=C(OC7OCC(O)C(C7O)O)C=C6O)O)C(=O)NCC(=O)O
Compound: Amidepsine H
SMILES: O=C(OC1=CC(O)=C(C(=O)N[C@H](C(=O)O)C)C(=C1)C)C2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3OC(=O)C)O)CO)C=C(OC(=O)C4=C(OC)C=C(OC)C=C4C)C=C2C
Compound: 16-hydroxyroridin E
SMILES: O=C1OC[C@@]23[C@@]4([C@@]5(OC5)[C@H](O[C@@H]2C=C(CO)CC3)C[C@H]4OC(=O)C=CC=C[C@@H](OCCC(=C1)C)[C@H](O)C)C
Compound: Epothilone I2
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@@H](C)CC(CCCC=CC2)C)C)(C)C)\C)C
Compound: Corynechromone L
SMILES: O=C1C2=C(OC(=C1)C)C=C(O)C=C2CC(=O)OCC(C)C
Compound: Acrocarpunilactone
SMILES: O=C1O[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC1
Compound: Argyrin H
SMILES: S1C2=NC(=C1)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(NC(C(N(CC(NC2)=O)C)=O)=C)=O)C)CC=3C4=C(OC)C=CC=C4NC3)CC=5C6=C(C=CC=C6)NC5
Compound: Acetylstachyflin
SMILES: O=C1NCC2=C1C=C(O)C3=C2O[C@]45[C@]([C@H](CC[C@H]4C([C@@H](OC(=O)C)CC5)(C)C)C)(C)C3
Compound: B-norviridiol lactone
SMILES: O=C1OC=C2[C@@H](O)[C@@H](OC)[C@H]([C@]3(C2=C1C4=C3C=CC5=C4CCC5=O)C)O
Compound: Bacillamide C
SMILES: S1C(=NC(=C1)C(=O)NCCC=2C3=C(C=CC=C3)NC2)[C@H](NC(=O)C)C
Compound: Rickenyl A
SMILES: O(C1=C(OC)C(=C(O)C(=C1C2=CC=C(OC)C=C2)O)C3=CC=C(OC)C=C3)C
Compound: (R)-(+)-7,8-dihydro-6-hydroxy-3-methoxy-1,7,7,8-tetramethyl-5H-furo[2',3':5,6]naphtho[1,8-bc]furan-5-one
SMILES: O=C1OC=2C(OC)=CC(=C3C2C1=C(O)C4=C3O[C@@H](C4(C)C)C)C
Compound: 1'-(beta-Glucopyranosyloxy) di-O-demethylspirilloxan thin
SMILES: O1[C@@H](OC(C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/CC(O)(C)C)\C)\C)\C)/C)/C)/C)(C)C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Aspochalasin V
SMILES: S([C@H]1C(=O)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C)CCCC(C1)=O)C)CC(C)C)C
Compound: Guignardone Q
SMILES: O=C1C2=C(O[C@@]3(CCC([C@@H]3C2)=C(C)C)C)[C@@H]4C[C@@]1(O)CO4
Compound: Phaeolschidin C
SMILES: O=C1OC(=CC(=C1C(C=2C(=O)OC(/C=C/C3=CC(O)=C(O)C=C3)=CC2O)CCC(=O)O)O)/C=C/C4=CC(O)=C(O)C=C4
Compound: Vermilutin
SMILES: O=C1C2=C(OC3=C1C(=CC(=C3)C)C=O)C(=CC=C2O)/C=C/C(C)C
Compound: Chaetopenoid A
SMILES: O=C1C=C2C=C[C@H](OC(=O)/C=C/C=C/[C@H](CC)C)[C@@H]([C@@]2(C)C[C@@]1(O)C(C(=O)O)=C)C
Compound: Applanatine A
SMILES: O([C@H]1C2=C(C(=C(CCOC)C(=C2)C)C)C[C@]1(CO)C)C
Compound: Fusarin F
SMILES: O=C1N[C@]2(O[C@H]2[C@@]1(O)C(=O)/C(=C/C=C/C(=C/C(=C/C(/C(=O)OC)=C\C)/C)/C)/C)CCO
Compound: Peniopholide
SMILES: O=C1OC[C@H]2[C@]1(O)CC[C@@H]3[C@@]2(CCCC3(C)C)C
Compound: 1-methylthio-2,3-di-O-(3',7',11',15'-tetramethylhexadecyl)glycerol (diphytanylglyceryl methylthioether)
SMILES: SCC(OCCC(CCCC(CCCC(CCCC(C)C)C)C)C)COCCC(CCCC(CCCC(CCCC(C)C)C)C)C
Compound: Lactariamide A
SMILES: O=C(NC([C@@H]1O[C@@H]1CCCCCCCCCCCCCC)CO)C(O)CCCCCCCCCCCCCCCCCCCCCC
Compound: Macrolactin X
SMILES: O=C1O[C@H](CCC[C@@H](O)C=C[C@@H]2O[C@@H]2C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O)C
Compound: Blazeispirol Z
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)C=CC2[C@]1(CCC(=O)C)C)CC4
Compound: Conocenol C
SMILES: O1[C@@]2(OC)[C@@H]([C@H]3C(CC(C3)(C)C)=C([C@@H](C1)C2)CO)C
Compound: Isovaleryl 6-deoxy-alpha-L-talopyranoside
SMILES: O=C(O[C@@H]1O[C@H]([C@@H](O)[C@H]([C@H]1O)O)C)CC(C)C
Compound: salinipyrone B
SMILES: CCC(O)C(C)\C=C(\C)/C=C/C1=C(C)C(O)=C(C)C(=O)O1
Compound: Agrocybyne A
SMILES: O=C(N)C#CC#CCCC
Compound: Paeciloketal B
SMILES: O=C(C1=C2C(O[C@]3(C2)O[C@](OC)(CCCCCCCC)C=4C3=C(O)C=CC4)=CC=C1)CCCCCCCC
Compound: AAL Toxin Tb2
SMILES: O=C(O)C(CC(=O)OC(C(O)CC(CCCCCCC(O)CC(O)CN)C)C(CC)C)CC(=O)O
Compound: methyl 4,10-dimethyldodecanoate
SMILES: O=C(OC)CCC(CCCCCC(CC)C)C
Compound: Citreopyrone F
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C/C(=O)C
Compound: Torrubiellone A
SMILES: O=C1N(O)C=C(C2(O)CCC(O)CC2)C(=C1C(=O)/C=C/C=C/C=C/[C@H](CO)CC)O
Compound: Emerixanthone D
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)C[C@H](OC(=O)C)C(O)(C)C
Compound: 2-hydroxymethyl-chroman-4-one
SMILES: O=C1C2=C(O[C@H](C1)CO)C=CC=C2
Compound: Viridoxin A
SMILES: O=C1C(=C(OC(=C1C)C)OC)C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H]([C@]3(CCC=C(C)C)C)OC(=O)[C@H](O)[C@H](CC)C)C
Compound: Tricinonoic acid
SMILES: O=C(O)CCC(/C=C/[C@H](C(C)C)CCC(=O)C)=C
Compound: Semiplenamide A
SMILES: O=C(NCCO)/C(=C/CC/C=C/CCCCCCCCCCCCC)/C
Compound: tetracosan-2-ol
SMILES: CCCCCCCCCCCCCCCCCCCCCCC(C)O
Compound: tetracosan-3-ol
SMILES: CCCCCCCCCCCCCCCCCCCCCC(O)CC
Compound: tetracosan-4-ol
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)CCC
Compound: tetracosan-5-ol
SMILES: CCCCCCCCCCCCCCCCCCCC(O)CCCC
Compound: tetracosan-6-ol
SMILES: CCCCCCCCCCCCCCCCCCC(O)CCCCC
Compound: tetracosan-7-ol
SMILES: CCCCCCCCCCCCCCCCCC(O)CCCCCC
Compound: tetracosan-8-ol
SMILES: CCCCCCCCCCCCCCCCC(O)CCCCCCC
Compound: tetracosan-9-ol
SMILES: CCCCCCCCCCCCCCCC(O)CCCCCCCC
Compound: tetracosan-10-ol
SMILES: CCCCCCCCCCCCCCC(O)CCCCCCCCC
Compound: tetracosan-11-ol
SMILES: CCCCCCCCCCCCCC(O)CCCCCCCCCC
Compound: tetracosan-12-ol
SMILES: CCCCCCCCCCCCC(O)CCCCCCCCCCC
Compound: Sporulaminal B
SMILES: O=C1N[C@]2(OC[C@]3(C2)[C@@H]4C(=C)CC[C@H]3C4)C[C@@H]1C
Compound: (6,8-dihydroxy-3-methyl-1-oxoisochromen-4-yl)methyl 3-methylbutanoate
SMILES: O=C1OC(=C(COC(=O)CC(C)C)C=2C1=C(O)C=C(O)C2)C
Compound: 6,8-dihydroxy-5-methoxy-3-methylisochromen-1-one
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O)C2OC)C
Compound: 6-hydroxy-8-methoxy-3,4-dimethylisochromen-1-one
SMILES: O=C1OC(=C(C)C=2C1=C(OC)C=C(O)C2)C
Compound: 6-hydroxy-4-[(1S)-1-hydroxyethyl]-8-methoxyisochromen-1-one
SMILES: O=C1OC=C([C@@H](O)C)C=2C1=C(OC)C=C(O)C2
Compound: (3R)-3-[(4R)-4,5-dihydroxypentyl]-8-hydroxy-3,4-dihydroisochromen-1-one
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=CC2)CCC[C@@H](O)CO
Compound: (3R)-5,6-dihydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
SMILES: O=C1O[C@@H](CC2=C1C=CC(=C2O)O)CCC[C@@H](O)C
Compound: 5-hydroxy-7-methoxy-2-methyl-1-benzouran-3-carboxylic acid
SMILES: O=C(O)C=1C2=C(C(OC)=CC(=C2)O)OC1C
Compound: 1-(5-hydroxy-7-methoxy-1-benzouran-3-yl)ethanone
SMILES: O=C(C=1C2=C(C(OC)=CC(=C2)O)OC1)C
Compound: Chromosulfine
SMILES: S([C@H]1[C@](O)(C=2OC=3C=C(C)C=C(C3C(C2C1)=O)O)C(=O)OC)C[C@H](O)C(=O)OC
Compound: Pseuboydone A
SMILES: O=C1C=C2[C@H](CC[C@H]3[C@@H]([C@H]2[C@H]1C)[C@@]3(CO)C)C
Compound: Pseuboydone B
SMILES: O=C1C=C2[C@H](CC[C@@H]3[C@H]([C@H]2[C@H]1C)[C@@]3(CO)C)C
Compound: Pseuboydone C
SMILES: S([C@]1(NC(=O)[C@](O)(CC2=CC=CC=C2)NC1=O)CC3=CC=CC=C3)C
Compound: Penicimutamide A
SMILES: O=C1O[C@@]23C4=C(C=CC=C4)N=C2C(C)(C)[C@@H]5[C@](N1)(C(=O)N6[C@H](CCC6)C5)C3
Compound: Penicimutamide B
SMILES: O=C1O[C@@]23C4=C(C=CC=C4)N=C2C(C)(C)[C@@H]5[C@](N1)([C@@H](O)N6[C@H](CCC6)C5)C3
Compound: Penicimutamide C
SMILES: O=C1O[C@@]23C4=C(C=CC=C4)N=C2C(C)(C)[C@@H]5[C@](N1)(CN6CCC[C@@H]6C5)C3
Compound: (1S,3S)-3,6,8-trihydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
SMILES: O=C1OC2=C([C@@H](C)C[C@@H]2O)C=3C1=C(O)C=C(O)C3
Compound: (1S)-6,8-dihydroxy-1-methyl-1,2-dihydrocyclopenta[c]isochromene-3,5-dione
SMILES: O=C1OC2=C([C@@H](C)CC2=O)C=3C1=C(O)C=C(O)C3
Compound: (1R,2S,3S)-2,3,6,8-tetrahydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
SMILES: O=C1OC2=C([C@@H](C)[C@@H]([C@@H]2O)O)C=3C1=C(O)C=C(O)C3
Compound: (3aR)-1,6-dihydroxy-8-methoxy-3a-methyl-3H-cyclopenta[c]isochromene-2,5-dione
SMILES: O=C1O[C@]2(C(=C(O)C(C2)=O)C=3C1=C(O)C=C(OC)C3)C
Compound: (3S,3'S,4'R)-3',4',7-trihydroxy-5-methoxy-1'-methylspiro[2-benzouran-3,5'-cyclopentene]-1-one
SMILES: O=C1O[C@@]2(C(=C[C@@H]([C@H]2O)O)C)C=3C1=C(O)C=C(OC)C3
Compound: Tetrocarcin N
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=CC3[C@@]4(OC(=O)C(C4=O)=C([C@@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](OC(=O)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O[C@@H]%10O[C@H]([C@H](O)CC%10)C)[C@@H](C9)O)C)CC8)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)C[C@H](CO)C[C@@H]3O)C)C)C
Compound: Tetrocarcin O
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=CC3[C@@]4(OC(=O)C(C4=O)=C([C@@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](OC(=O)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O)[C@@H](C9)O)C)CC8)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)C[C@H](CO)C[C@@H]3O)C)C)C
Compound: Penicimutalidine
SMILES: O=C1O[C@@H](C=2C(O)=CC(=C3C2C1=C(O)C=C3C)O)C(=O)OC
Compound: Bacillosporin C
SMILES: O=C1OCC=2C(O)=C3[C@@]45C6=C(C(=O)OC4)C(O)=CC(=C6C(C[C@@]5(OC3=C7C2C1=C(O)C=C7C)O)=O)C
Compound: Scedogiine A
SMILES: O=C1C=C2[C@](O)(CC[C@H]3[C@@H]([C@H]2[C@H]1C)C3(C)C)C
Compound: Scedogiine B
SMILES: O=C1C=C2[C@@](O)(CC[C@@H]3[C@H]([C@H]2[C@H]1C)C3(C)C)C
Compound: Scedogiine C
SMILES: O=C1C=C2[C@@](O)(CC[C@@H]3[C@H]([C@H]2[C@H]1C)[C@@]3(CO)C)C
Compound: Scedogiine D
SMILES: O=C1C=C2[C@H](CC[C@H]3[C@@H]([C@H]2[C@H]1C)[C@@]3(COC(=O)C)C)C
Compound: Scedogiine E
SMILES: O=C1C=C2[C@H](C[C@@H](O)[C@H]3[C@@H]([C@H]2[C@H]1C)C3(C)C)C
Compound: Scedogiine F
SMILES: O=C1C(=C2[C@H](O)C(=O)[C@@H]([C@@H]2[C@@H]3[C@H](C1)C3(C)C)C)C
Compound: Scedogiine G
SMILES: O=C1OC(=C(C)C(=C1C)O)C(CC(CC(CC(CC)C)C)C)C
Compound: Asperolide D
SMILES: O=C1C=C[C@@]2(C(=O)O[C@H]3[C@@H]2[C@]1([C@]4(O)C(=C3)COC(C4)=O)C)C
Compound: Asperolide E
SMILES: O=C1OCC2=C[C@H]3OC([C@@]4([C@H]3[C@@]([C@H]2C1)([C@H](O)C=C4)C)C)=O
Compound: Tratenopyrone
SMILES: O=C1O[C@@H](CC=2C1=C(OC)C=CC2)CCC(=O)O
Compound: Turbomycin C
SMILES: O(C1=CC=C(C(C=2C3=C(C=CC=C3)NC2)C=4C5=C(C=CC=C5)NC4)C=C1)CCCC
Compound: Turbomycin D
SMILES: O(C1=CC=C(C(C=2C3=C(C=CC=C3)NC2)C=4C5=C(C=CC=C5)NC4)C=C1)CCC
Compound: Turbomycin E
SMILES: O(C1=CC=C(C(C=2C3=C(C=CC=C3)NC2)C=4C5=C(C=CC=C5)NC4)C=C1)CC
Compound: Turbomycin F
SMILES: O=[N+]([O-])C1=C(OC)C([N+](=O)[O-])=CC(=C1)C(C=2C3=C(C=CC=C3)NC2)C=4C5=C(C=CC=C5)NC4
Compound: Trisindolal
SMILES: O=CC=1NC=2C=CC=CC2C1C(C=3C4=C(C=CC=C4)NC3)C=5C6=C(C=CC=C6)NC5
Compound: 4-(1H-indol-3-yl-sulfanyl)phenol
SMILES: S(C1=CC=C(O)C=C1)C=2C3=C(C=CC=C3)NC2
Compound: 2-(indol-3-ylmethyl)-indol-3-ylethanol
SMILES: OCCC=1C2=C(C=CC=C2)NC1CC=3C4=C(C=CC=C4)NC3
Compound: Thalabetaospiramide A6
SMILES: O=C1N([C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CC2=CC=C(O)C=C2)C(C)C)CO)C(C)C)CC3=CC=C(O)C=C3)C)C(C)C)C
Compound: Thalabetaospiramide A7
SMILES: O=C1N([C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CC2=CC=CC=C2)C(C)C)CO)C(C)C)CC3=CC=C(O)C=C3)C)C(C)C)C
Compound: Thalabetaospiramide A8
SMILES: O=C1N([C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)C(C)C)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C)C
Compound: Biatriosporin C
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@@H](C1)C[C@@H](O)C
Compound: Thalabetaospiramide A9
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)C(C)C)CO)C(C)C)CC2=CC=CC=C2)C)C(C)C
Compound: Thalabetaospiramide A10
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCC)CO)C(C)C)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Biatriosporin D
SMILES: O=C1C2=C(O)C=C(OC)C=C2C=3OC(=CC3C1=O)C
Compound: Thalabetaospiramide A11
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCCCC)CO)C(C)C)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Biatriosporin E
SMILES: O=C1C2=C(O)C=C(OC)C=C2C=3OC(=CC3[C@@]1(O)C)C
Compound: Culicinin B
SMILES: O=C(N[C@H](C(=O)NCCC(=O)NC(CNCCO)C)CC(C)C)C(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)CCC)CCC1)CC(CC(O)CC(=O)CC)C)(C)C)C)CC(CCCCCC)C)CC(C)C)(C)C
Compound: Thalabetaospiramide B3
SMILES: O=C1N([C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)C/C=C\CCCCCC)CC2=CC=CC=C2)C(C)C)CO)C(C)C)CC3=CC=C(O)C=C3)C)C(C)C)C
Compound: Biatriosporin F
SMILES: O=C1C2=C(O)C=C(OC)C=C2C=3OC(=CC3[C@@]1(O)COC)C
Compound: Biatriosporin G
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@H]3[C@H]1CO[C@@](C3)(OC)C
Compound: Thalabetaospiramide B4
SMILES: O=C1N([C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)C/C=C\CCCCCC)CC2=CC=C(O)C=C2)C(C)C)CO)C(C)C)CC3=CC=C(O)C=C3)C)C(C)C)C
Compound: 11,12-dihydroxy-1-tremulen-5-one
SMILES: O=C1[C@H]([C@@H]2C(CC(C2)(C)C)=C([C@@H](C1)CO)CO)C
Compound: Biatriosporin H
SMILES: O=C1C2=C(C(O)=CC(=C2)OC)[C@H](O)[C@@H]3[C@@H]1C[C@](OC)(C)OC3
Compound: Thalabetaospiramide B5
SMILES: O=C1N([C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)C(C)C)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C)C
Compound: Botryosphaerin E
SMILES: O=C(O)[C@@]1([C@H]2[C@@]([C@H](C(=C)CC2)CCC(O)(CC(=O)O)C)(CCC1)C)C
Compound: Ganocapenoid C
SMILES: O1C2=C(C=C(O)C(=C2)O)C=C1[C@@H](CO)CC/C=C(\CO)/C
Compound: Guanacastepene B
SMILES: O=C1C2=C[C@@H]3[C@@](O)(C[C@@H](O)C[C@@]3(C)CC[C@]2(C)[C@H](C1)C(C)C)C
Compound: Biatriosporin I
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@H]3[C@@H]1CO[C@H](C3)C
Compound: Thalabetaospiramide C2
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Polyporoid C
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@@H]([C@@](O)([C@H](O)CC(C(C)C)C)C)[C@H](C3)O)(CC[C@@H]2[C@@]4([C@H]1C[C@@H](O)[C@H](C4)O)C)C
Compound: Ganocapenoid D
SMILES: O=C1O[C@H](C2=C(O)C=CC(=C2)O)C=C1CC/C=C(\CO)/C
Compound: Halymecin B
SMILES: O=C(O[C@@H](C[C@@H](O)CC(=O)O)CCCCC)C[C@H](OC(=O)C)C[C@H](OC(=O)C[C@H](O)C[C@H](OC(=O)C[C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)CO)C[C@H](O)CCCCC)CCCCC)CCCCC
Compound: Biatriosporin J
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@H]3C1=CO[C@@H](C)C3
Compound: Thalabetaospiramide E2
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)C(C)C)CO)C(C)C)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Ralfuranone K
SMILES: O=C1O[C@H](O)C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3
Compound: (5S,6S)-5-methyl-6-[(2E,4E,6E)-octa-2,4,6-trien-2-yl]oxane-2,4-dione
SMILES: O=C1O[C@H](/C(=C/C=C/C=C/C)/C)[C@H](C)C(C1)=O
Compound: Dasyscyphin B
SMILES: O(CC1=C(O)C2=C(C[C@H]3[C@@]2(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C(=C1)O)C
Compound: Biatriosporin K
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1[C@@H](O[C@H](C3)C)OC
Compound: Thalabetaospiramide F1
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)C/C=C\CCCCCC)CC2=CC=C(O)C=C2)C(C)C)CO)C(C)C)CO)C(C)C)CC3=CC=C(O)C=C3)C)C(C)C
Compound: Neomycin-LP-I
SMILES: O=C(NC1C(OC2OC(C(O)C(C2N)O)CN)C(OC3OC(CO)C(C3O)OC4OC(C(O)C(C4N)O)CN)C(O)C(C1)N)C
Compound: (5R,6R)-6-[(1E,3E,5E,7E,9E,11E)-9,11-dimethyltetradeca-1,3,5,7,9,11-hexaenyl]-5-methyloxane-2,4-dione
SMILES: O=C1O[C@H](/C=C/C=C/C=C/C=C/C(=C/C(=C/CC)/C)/C)[C@@H](C)C(C1)=O
Compound: CB-182390
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCCCCC(CC)C)CC=2C3=C(C=CC=C3)NC2)CCC(=O)O)CC(=O)N)C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CCCCN)C(N[C@H](C(NCC(N[C@@H](C(NC(C(N[C@H]1C(CC)C)=O)C(CC(=O)O)C)=O)CC(=O)N)=O)=O)CC(=O)O)=O)CC(=O)O)C)C)C
Compound: Biatriosporin L
SMILES: O=C1C2=C(C(=O)C=3C1=C(OC3)[C@H](O)C)C(O)=CC(=C2)OC
Compound: Thalabetaospiramide F2
SMILES: O=C1N([C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)C/C=C\CCCCCC)CC2=CC=C(O)C=C2)C(C)C)CO)C(C)C)CO)C(C)C)CC3=CC=C(O)C=C3)C)C(C)C)C
Compound: Phomactin B2
SMILES: O=C1C=2C(=C)[C@]([C@H](C)[C@H](C2)O)(CCC(C)=CCC[C@@]3([C@@H]1O3)C)C
Compound: 12-deoxytrichodermin
SMILES: O=C(O[C@H]1[C@]2(C(=C)[C@@H](C1)O[C@H]3[C@@]2(CCC(=C3)C)C)C)C
Compound: Biatriosporin M
SMILES: O=C1O[C@@H](C[C@H]2C1=C(O)C=C[C@H]2O)C
Compound: FR225654
SMILES: O=C1[C@@](O)([C@@H]([C@@](C(=O)/C=C\O)(C)C2[C@@H]1C[C@@](O)(C)C[C@H]2C)[C@H](COC(=O)C/C(=C/C(=O)O)/C)CC)C
Compound: 5-hydroxyculmorin
SMILES: O[C@H]1C([C@@H]2[C@@H](O)[C@]3(C[C@H]([C@@H]2[C@@]3(CC1)C)O)C)(C)C
Compound: Thalabetaospiramide F3
SMILES: O=C1N([C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)C/C=C\CCCCCC)CC2=CC=CC=C2)C(C)C)CO)C(C)C)CO)C(C)C)CC3=CC=C(O)C=C3)C)C(C)C)C
Compound: Nectriatone C
SMILES: O=C1[C@@H]([C@@](/C=C/C(=O)C)([C@H](C)CC1)C)C
Compound: Fattiviracin FV-13
SMILES: O=C1OCC2OC(OC(CC(=O)OCC3OC(OC(C1)CCCCCCCCCCCC(OC4OC(C(O)C(C4O)O)CO)CCCCCCCC(O)C)C(O)C(O)C3O)CCCCCCCCCCCCCC(OC5OC(C(O)C(C5O)O)CO)CCCCCCCCCC(O)C)C(O)C(C2O)O
Compound: Thalabetaospiramide H
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Citreothiopyrane A
SMILES: S1C(=C(C(=O)C[C@@H]1C)C(=O)C)C
Compound: Asnovolin B
SMILES: O=C1OC([C@@H]2CC[C@@H]([C@@]3([C@]2(CC1)C)OC4=C(C(=O)[C@H]([C@@H]([C@]4(C3)CO)C)C(=O)OC)C)C)(C)C
Compound: Nectriatone B
SMILES: O=C1C=C[C@@H](C)[C@@]([C@H]1C)(/C=C/C(=O)C)C
Compound: N-Acetylloline
SMILES: O=C(N([C@@H]1[C@@H]2N3CC[C@@H]2O[C@@H]1C3)C)C
Compound: (1R,3R,5R,6S,9S,10R)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
SMILES: O=C1C2=C([C@]34CCCC([C@@]4([C@@]1(OC3)O)O)(C)C)[C@H](O)C[C@@]([C@@H]2OC)(C=C)C
Compound: Thalabetaospiramide H1
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCC)CO)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Nectriatone A
SMILES: O=C1[C@@H](OCC=2[C@@H]1C(CCC2)(C)C)C=3C(=O)CC[C@@](C3)(C=C)C
Compound: Urauchimycin A
SMILES: O=C1OC(C(O)C(CC(CC)C)C(OC(C1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: ethyl 9,9-dimethoxynonanoate
SMILES: O=C(OCC)CCCCCCCC(OC)OC
Compound: Asnovolin C
SMILES: O=C1C(=C2O[C@@]3([C@]([C@H](C(O)(C)C)CC[C@@H]3C)(CCC(=O)OC)C)C[C@]2(C)[C@H]([C@@H]1C(=O)OC)C)C
Compound: 8beta,9alpha-dihydroganoderic acid C
SMILES: O=C1C([C@H]2[C@]([C@H]3C(=O)C[C@@]4([C@@H]([C@@H](CC(=O)CC(C(=O)O)C)C)CC([C@]4([C@@H]3C(C2)=O)C)=O)C)(C)CC1)(C)C
Compound: Thalabetaospiramide H2
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)CO)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Maculansline C
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2)C[C@H](O)CCC
Compound: Decarboxy-2′-O-methylnorimbricaric acid
SMILES: O=C(OC1=CC(OC)=CC(=C1)CCC)C2=C(O)C=C(O)C=C2CCCCC
Compound: Communesin A
SMILES: O=C(N1[C@@H]2N3[C@@H](C=4C=CC=C5C4[C@@]6([C@]2(C7=C(N[C@@H]6N5C)C=CC=C7)CC1)CC3)C8OC8(C)C)C
Compound: Asnovolin D
SMILES: O=C1C(=C2O[C@@]3([C@]([C@H](C(O)(C)C)CC[C@@H]3C)(CCC(=O)O)C)C[C@]2(C)[C@H]([C@@H]1C(=O)OC)C)C
Compound: Thalabetaospiramide H3
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)C(C)C)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: JBIR-31
SMILES: O=C1N[C@@H](C[C@H]2C(=O)NC=3C2=C(N([C@H]1C(C)C)C)C=CC3C(C=C)(CCC=C(C)C)C)CO
Compound: Flavoside A
SMILES: O=C1C2=C(OC(=C1)C3=CC(OC)=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C(=C3)OC)C=C(O)C=C2O
Compound: Ganorbiformin G
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H]([C@@H](OC(=O)C)CC=C(C(=O)O)C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Crocacin D
SMILES: O=C(N/C=C\CCCC(=O)NCC(=O)OC)/C=C(/C=C/[C@@H]([C@H](OC)[C@@H]([C@@H](OC)/C=C/C1=CC=CC=C1)C)C)\C
Compound: Asnovolin F
SMILES: O=C1C(=C2O[C@@]3([C@]([C@H](C(=C)C)CC[C@@H]3C)(CCC(=O)OC)C)C[C@]2(C)[C@H]([C@@H]1C(=O)OC)C)C
Compound: Crabetailin
SMILES: O=C(OCCCCCCCCC(C)C)C1=C(NC(=O)C)C=CC(=C1)O
Compound: 6-O-alpha-D-ribosylasperentin
SMILES: O=C1O[C@H](CC=2C1=C(O)C=C(O[C@H]3O[C@H](CO)[C@H]([C@H]3O)O)C2)C[C@@H]4O[C@H](CCC4)C
Compound: 5-hydroxycamphor
SMILES: CC1(C)C2CC(=O)C1(C)CC2O
Compound: Thalabetaospiramide I
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)C(C)C)CO)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Asnovolin G
SMILES: O=C1OC[C@@]23[C@@]4(O[C@]56O[C@@]7(OC([C@H]([C@@H]([C@]5(C4)C)C)[C@@H]7O6)=O)C)[C@H](CC[C@H]2C(O[C@H]3C1)(C)C)C
Compound: FS-3
SMILES: O=C1C=C(CC[C@@]1([C@@]2(C(=CC(C2)=O)CO)C)C)C
Compound: TAN-1518 A
SMILES: O=C1C2=C(O)C3=C(O)C(=CC=C3C(C2CC4C1(O)C(O)=C(C(=O)C4OC(=O)C5=C(O)C=CC=C5)C(=O)N)(OC)C)C6OC(C(OC(=O)/C(=C\C)/C)C(C6)O)C
Compound: (S)-2,5-dihydroxy-2-methyl-1,2,3,4-tetrahydroanthracene-9,10-dione
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1CC[C@@](C3)(O)C
Compound: 2,4-dimethoxy-3,6-diphenylphenol
SMILES: O(C1=C(O)C(C2=CC=CC=C2)=CC(=C1C3=CC=CC=C3)OC)C
Compound: Thalabetaospiramide I1
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCC)CO)C(C)C)CO)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Floricolin J
SMILES: O=C1C=C(C2=CC=CC=C2)[C@@]3(OC4=C([C@H]1C3(OC)OC)C=C(O)C=C4)O
Compound: Nocardione B
SMILES: O=C1C2=C(OC)C=CC=C2C=3O[C@H](CC3C1=O)C
Compound: 4,5-dihydroxy-2-methyl-9H-xanthen-9-one
SMILES: O=C1C2=C(OC3=C1C=CC=C3O)C(O)=CC(=C2)C
Compound: Paracelsin E
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC1=CC=CC=C1)CCC(=O)N)CCC(=O)N)(C)C)C(NC(=O)C(NC(=O)C2N(C(=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)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)C)(C)C)C)(C)C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)(C)C)C)CCC2)C(C)C)(C)C
Compound: Thalabetaospiramide J
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)C(C)C)C(C)C)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Minioluteumide A
SMILES: Cl[C@H]1C=2C(=O)OCC2[C@]3([C@@H](OC(=O)[C@@H](NC(=O)C)C(C)C)CCC([C@@H]3C1)(C)C)C
Compound: Floricolin A
SMILES: O(C1=C(O)C(C2=CC=CC=C2)=CC(=C1C3=CC=C(O)C=C3)O)C
Compound: Microginin 478
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](NC)CCCCCCC)C(C)C)C)C(C)C)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Pseudomonic acid D
SMILES: O=C(OCCCC/C=C/CCC(=O)O)/C=C(/C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@H]([C@@H](O)C)C)[C@H]([C@H]1O)O)\C
Compound: 5-hydroxy-4-oxo-2-(2-oxopropyl)-1,2,3,4-tetrahydronaphthalen-1-yl acetate
SMILES: O=C1C2=C(O)C=CC=C2[C@@H](OC(=O)C)[C@@H](C1)CC(=O)C
Compound: Bicyclic diol
SMILES: O=C1C2=C(C=C(C)OC2)C[C@H]([C@]1(O)C)O
Compound: (2E,10Z)-2-[(Z)-pentadec-6-enyl]nonadeca-2,10-dienal
SMILES: O=C/C(=C/CCCCCC/C=C\CCCCCCCC)/CCCCC/C=C\CCCCCCCC
Compound: Floricolin B
SMILES: O=C1C(OC)=C(C(=O)C=C1C2=CC=CC=C2)C3=CC=C(O)C=C3
Compound: Leupyrrin D
SMILES: O=C1OCC2OC(C=3NC(CC=C(C4C(OC(C=C1CC(C)C)=O)C(C(=O)O4)(CO)C)C)=CC3)=NC2/C=C\5/C(=C(/CCCO)\C)/COC5CC(C)C
Compound: Waol B
SMILES: O=C(OC)C(O)/C=C\1/[C@H](O[C@H]([C@H]1O)/C=C/C)/C=C/C
Compound: 5-hydroxy-2-(2-hydroxypropyl)naphthalene-1,4-dione
SMILES: O=C1C2=C(C(=O)C=C1C[C@@H](O)C)C(O)=CC=C2
Compound: 1-(3,5-dihydroxy-4-methylphenyl)propan-2-one
SMILES: O=C(CC1=CC(O)=C(C)C(=C1)O)C
Compound: Saccharosacrin C
SMILES: O=C1OC23C(C=C(C(OC4OC(C(NC(=O)C)C(C4)(O)C)C)C(C)C=C(C5C(C(=C1C2=O)O)(C6C(C(OC7OC(C(OC8OC(C(OC9OC(C(O)C(C9)O)C)C(C8)O)C)CC7)C)C(C)CC6C)C=C5)C)C)C)C=CC(C3)CC
Compound: Floricolin C
SMILES: O=C1C(OC)=C(C(=O)C=C1C2=CC=CC=C2)C3=C(O)C=CC=C3
Compound: IT-143-B
SMILES: O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C/C=C/C(=C/C(C(O)/C(=C/C(=C/C)/C)/C)C)/C)\C
Compound: (+)-cochlearoid N
SMILES: O=C(OCC)[C@@]12OC3=C4C(=C(O)C=C3)C=5C=C(O)C=C(C5O[C@]4(C1)[C@H](C(=C)C)CC2)C/C=C(\CO)/CC/C=C(/CCC=C(C)C)\C
Compound: Iqalisetin A
SMILES: O=C/1N[C@@H](C)C(\C1=C(\O)/[C@H]2[C@H]3[C@H](C=C[C@H]2C)C[C@@H](O)CC3)=O
Compound: Terretonin B
SMILES: O=C1C(=O)[C@@]2([C@](O)(CC(=C)[C@]3([C@H]2C(=O)O[C@](C(=O)OC)(C)C3=O)C)[C@@]4([C@]1(O)C(C(=O)CC4)(C)C)C)C
Compound: Pestalasin A
SMILES: O=C1OC2=C(OC)C=C(OC)C=C2C=C1C[C@@H](O)C
Compound: Floricolin D
SMILES: O=C1C(OC)=C(C(=O)C=C1C2=CC=CC=C2)C3=C(O)C=CC(=C3)O
Compound: Botryorhodine B
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3C=O)O)C
Compound: 3-[(2S,5R)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide
SMILES: O=C1N[C@H](C(=O)N[C@@H]1CC(C)C)CCC(=O)NCCC2=CC=CC=C2
Compound: (+)-cochlearoid O
SMILES: O=C(O)/C(=C\CC1=C2O[C@]34C=5C(O[C@@](C3)(C(=O)OCC)CC[C@H]4C(=C)C)=CC=C(C5C2=CC(=C1)O)O)/CC/C=C(/CCC=C(C)C)\C
Compound: Iqalisetin B
SMILES: O=C1[C@@H](O)C[C@H]2[C@H](/C(/O)=C\3/C(=O)N[C@H](C3=O)C)[C@H](C)C=C[C@@H]2C1
Compound: Floricolin E
SMILES: O=C1C(=C(O)C(=O)C2=C1OC=3C=CC(=CC23)O)C4=CC=CC=C4
Compound: Fomitoside D
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O[C@H]5[C@@H](OC[C@H]([C@@H]5O)O)O)CCC(=C)C(C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Tricycloalternarene 6a
SMILES: O=C1C2=C(OC3(CC=C(C3C2)C(CCC(O)C(O)(C)C)C)C)C(O)CC1
Compound: Ravynic acid
SMILES: O=C/1NCC(\C1=C(\O)/C=C/C(=C/C#C/C=C/C)/C)=O
Compound: (+)-cochlearoid P
SMILES: O=C(O)/C(=C\CC1=C(O)C=C2C3=C(O)C=CC4=C3[C@@]5(OC2=C1)[C@@H](C(=C)C)CC[C@@](C5)(C(=O)OCC)O4)/CC/C=C(/CCC=C(C)C)\C
Compound: 6-hydroxyisatin
SMILES: O=C1NC=2C=C(O)C=CC2C1=O
Compound: Floricolin F
SMILES: O=C1C(=C(OC)C(=O)C2=C1OC=3C=CC(=CC23)O)C4=CC=CC=C4
Compound: Oudemansin L
SMILES: O=C(OC)/C(=C/OC)/C(C(OC)/C=C/C1=CC=2OC(C(OC(C=C)(C)C)(C)C)COC2C=C1)C
Compound: Plocamenol A
SMILES: BrC([C@H](O)C/C=C(/[C@@H](O)CBr)\C)(CCl)C
Compound: Hypelcin B-I
SMILES: O=C(N1[C@H](C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)CCC(=O)N)CCC(=O)O)(C)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C)(C)C)CCC2)(C)C)C)(C)C)(C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)(C)C)(C)C
Compound: (-)-cochlearoid N
SMILES: O=C(OCC)[C@]12OC3=C4C(=C(O)C=C3)C=5C=C(O)C=C(C5O[C@@]4(C1)[C@@H](C(=C)C)CC2)C/C=C(\CO)/CC/C=C(/CCC=C(C)C)\C
Compound: 6-hydroxy-5-methoxyisatin
SMILES: O=C1NC=2C=C(O)C(=CC2C1=O)OC
Compound: Eryngiolide A
SMILES: O=C1O[C@@H]2[C@@H](O)[C@@](O)(CC[C@@H]3[C@H](C(=O)O[C@@H]3[C@H]([C@](CC[C@@H]2C1=C)(O)C)O)C)C
Compound: Floricolin G
SMILES: O=C1C(=C(OC)C(=O)C2=C1OC=3C=CC=CC23)C4=CC=CC=C4
Compound: (16R,17S,18S,21S)-6-[(16R,17S,18S,21S)-17-carboxy-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12-hexaen-10-yl]-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12-hexaene-17-carboxylic acid
SMILES: O=C(O)[C@@]1([C@@H](O)CC[C@]2([C@H]1CCC3=C2C=C4C5=C(C=CC=C5)N(C4=C3)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)C)C
Compound: Brevicompanine C
SMILES: O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)N[C@@H]1C(C)C
Compound: Penicilloitin A
SMILES: O=C(OC)CCCC/C=C/C[C@@H](O)CCCCC
Compound: (-)-cochlearoid O
SMILES: O=C(O)/C(=C\CC1=C2O[C@@]34C=5C(O[C@](C3)(C(=O)OCC)CC[C@@H]4C(=C)C)=CC=C(C5C2=CC(=C1)O)O)/CC/C=C(/CCC=C(C)C)\C
Compound: Terrefuranone
SMILES: O=C1C=C(CC(O)C)O[C@]1(/C=C/C=C/CC)C
Compound: Macrosporin-7-O-sulphate
SMILES: S(=O)(=O)(OC1=C(C=C2C(=O)C=3C=C(OC)C=C(C3C(C2=C1)=O)O)C)O
Compound: Floricolin H
SMILES: O1C2=C(O)C(C3=CC=CC=C3)=CC(=C2C=4C=CC=CC4C1)O
Compound: Cyclipostin R
SMILES: P1(=O)(OC(=C2C(=O)OC[C@@H]2CO1)C)OCCCCCCCCCCCCCCC
Compound: Penicilloitin B
SMILES: O=C(OCC(O)CO)CCCCCCCC/C=C/CC(O)CCCC
Compound: (-)-cochlearoid P
SMILES: O=C(O)/C(=C\CC1=C(O)C=C2C3=C(O)C=CC4=C3[C@]5(OC2=C1)[C@H](C(=C)C)CC[C@](C5)(C(=O)OCC)O4)/CC/C=C(/CCC=C(C)C)\C
Compound: Isariotin B
SMILES: O=C1[C@@]2(O)[C@H]3O[C@H]3[C@H]([C@@H]1[C@@H](O)[C@H](C2)NC(=O)/C=C/CCCCCCCCC(=O)O)O
Compound: Pladienolide B
SMILES: O=C1OC(/C(=C/C=C/C(CC2OC2C(C(O)CC)C)C)/C)C(C=CC(OC(=O)C)C(CCC(C1)O)(O)C)C
Compound: Ascotrichol A
SMILES: O=C1O[C@@H]([C@@H](O)C=2C1=C(O)C=CC2)C[C@H](O)C
Compound: Cytochalasin Z18
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@]1(OC(=O)OC)[C@@H](/C=C/C[C@@H](C(=O)C(O)(CC(OC)OC)C)C)[C@@H]4O[C@]4(C)[C@H]3C
Compound: Floricolin I
SMILES: O=C1C(C2=CC=CC=C2)=CC(=O)[C@]3([C@@]1(OC=4C=CC(=CC34)O)OC)O
Compound: (1S,4S,10R,12R)-12-[3-[[(3S,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-5-yl]-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
SMILES: O=C1N2[C@@H](C(=O)N[C@H]1CC=3C4=C(C=CC(=C4)[C@]56C7=C(C=CC=C7)N[C@H]5N8C(=O)[C@@H]9CCCN9C([C@H]8C6)=O)NC3)CCC2
Compound: Trichocladinol D
SMILES: O=C1O[C@@]2(O[C@H]3[C@@]1([C@@H](C=C[C@@H]3O)C)[C@H]2O)C
Compound: (+)-chizhine C
SMILES: O=C1O[C@@H](C(=C)C)CC[C@@]1(O)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Ascotrichol B
SMILES: O=C1O[C@@H]([C@H](O)C=2C1=C(O)C=CC2)C[C@H](O)C
Compound: 5-bromometagenediindole B
SMILES: BrC1=CC2=C(NC([C@]2(O)C3=C4C(NC=C4)=C(O)C=C3)=O)C=C1
Compound: Coralmycin A
SMILES: O=[N+]([O-])C1=CC=C(C(=O)NC2=CC=C(C(=O)N[C@H](C(=O)NC3=CC=C(C(=O)NC4=C(OC(C)C)C(O)=C(C(=O)NC5=C(OC(C)C)C(O)=C(C(=O)O)C=C5)C=C4)C=C3)[C@@H](OC)C(=O)N)C=C2)C=C1
Compound: Puberulic acid
SMILES: O=C1C(O)=C(O)C(O)=C2C(=C1)C(=O)OC2=O
Compound: Shearinine C
SMILES: O=C1NC2=C(C(=O)C[C@H]3[C@]1([C@@]4([C@](O)(C5=CC(=O)[C@@H](C(O)(C)C)O[C@H]5CC4)CC3)C)C)C=C6CC7C(C6=C2)=CC(OC7(C)C)(C)C
Compound: 5-bromometagenediindole C
SMILES: BrC1=CC2=C(NC([C@]2(O)C=3C4=C(C(O)=CC=C4)NC3)=O)C=C1
Compound: Brevione C
SMILES: O=C1C=C([C@H]2CC[C@]3([C@H]([C@@]2(C=C1)C)CC=C([C@@]34OC=5C(=C(C)OC(C5C4)=O)C)C)C)C
Compound: Ascotrichrone A
SMILES: O=C(CC1=CC(O)=CC(=C1)O)C[C@H](OC)C
Compound: 7-hydroxy-5-methyl-2-(2-oxobutyl)-4h-chromen-4-one
SMILES: O=C1C2=C(OC(=C1)CC(=O)CC)C=C(O)C=C2C
Compound: Coralmycin B
SMILES: O=[N+]([O-])C1=CC=C(C(=O)NC2=CC=C(C(=O)N[C@H](C(=O)NC3=CC=C(C(=O)NC4=C(OC(C)C)C(O)=C(C(=O)NC5=C(OC(C)C)C=C(C(=O)O)C=C5)C=C4)C=C3)[C@H](OC)C(=O)O)C=C2)C=C1
Compound: 5-hydroxy-7-(hydroxymethyl)-2-methoxy-6-methylnaphthalene-1,4-dione
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C(CO)C(=C2O)C
Compound: Quadricinctone A
SMILES: O=C1O[C@]([C@@H](O)C)(C)C=2C1=C(OC)C=C(OC)C2C
Compound: Ganolactone B
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)C4(OC(=O)CC4)C)C)[C@@H](O)C[C@@H]5[C@@]2(CC[C@@H](C5(C)C)O)C
Compound: 3′-N-methyl-medermycin
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1[C@H](O[C@H]4[C@@H]3OC(=O)C4)C)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)NC)C
Compound: Peniciphenol
SMILES: OC1=C(C(=CC=C1)/C=C\CO)CO
Compound: Corallocin A
SMILES: O=C1OCC2=C1C=C(OC)C(=C2O)C/C=C(/CC/C=C(/C(=O)O)\C)\C
Compound: Hantupeptin A
SMILES: O=C1O[C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)O[C@H](C(C(N[C@H](C(N([C@H]1[C@H](CC)C)C)=O)C(C)C)=O)C)CCCC#C)C(C)C)C)CCC2)CC3=CC=CC=C3
Compound: Quadricinctone C
SMILES: O=C1O[C@@](O)([C@H](C)C=2C1=C(O)C=C(O)C2C)CO
Compound: Asperdiphenol A
SMILES: O=C1C(O)=C(C2=CC=C(O)C=C2)C(C1C3=CC=C(O)C=C3)(O)C(=O)OC
Compound: Pluraflavin E
SMILES: O=C1C2=C3OC(=CC(C3=C(C(=O)O)C=C2C(=O)C=4C1=C(O)C(=CC4)[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](C6)O)C)[C@H](C5)N(C)C)C)=O)C(O)(C(O)C)C
Compound: Corallocin B
SMILES: O=C1N(CC2=C1C=C(OC)C(=C2O)C/C=C(/CCC=C(C)C)\C)CCC3=CC=C(O)C=C3
Compound: Solanapyrone P
SMILES: O=C1C=C(OCC1)[C@H]2[C@H]3[C@@H](C=C[C@@H]2C)C[C@H](O)CC3
Compound: Trichoether A
SMILES: O([C@@H](/C(=C/C=C/C=C/C)/CO)[C@@H](O)C)CC1=C(O)C=CC=C1CCC
Compound: Quadricinctapyran A
SMILES: O=C(O)C1=CC2=C(O[C@@](CO)(C)C=C2)C=C1
Compound: 6-(2′R-hydroxy-3′E,5′E-diene-1′-heptyl)-4-hydroxy-3-methyl-2H-pyran-2-one
SMILES: O=C1OC(=CC(=C1C)O)C[C@@H](O)/C=C/C=C/C
Compound: Dechlorogreensporone A
SMILES: O=C1O[C@H](CCC(=O)CCC=CC(CC=2C1=C(OC)C=C(O)C2)=O)C
Compound: (18R )-18-O-b-D-Glucopyranoside of murolic acid
SMILES: O=C1O[C@H](CCCCCCCCCCCCC[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)C)[C@H](C1=C)C(=O)O
Compound: Corallocin C
SMILES: O=C1N(CC2=C1C=C(OC)C(=C2O)C/C=C(/CCC=C(C)C)\C)CCC=3C4=C(C=CC=C4)NC3
Compound: Ketodiol7
SMILES: O=C1C2=C(O[C@H](C(O)CCCCCC)CC2)[C@@H](O)CC1
Compound: Quadricinctapyran B
SMILES: O=C(O)C1=CC2=C(O[C@@](COC(=O)C)(C)C=C2)C=C1
Compound: 6-(2′S-hydroxy-5′E-ene-1′-heptyl)-4-hydroxy-3-methyl-2H-pyran-2-one
SMILES: O=C1OC(=CC(=C1C)O)C[C@@H](O)CC/C=C/C
Compound: Fiscalin E
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@](OC)(NC([C@H]2C[C@]4(O)C5=C(C=CC=C5)N6[C@H]4NC(C)(C)C6=O)=O)C(C)C
Compound: Oxosorbicillinol (tautomer)
SMILES: O=C1/C(/C(O)=C(C)C([C@]1(O)C)=O)=C(\O)/C=C/C=C/C
Compound: Quambalarine B
SMILES: O=C1C2=C(O)C(O)=C(C(=O)CCCCC)C(=C2C(O)=CC1=O)O
Compound: Herbarumin III
SMILES: O=C1O[C@@H](C[C@@H](O)C=CCCC1)CCC
Compound: Quadricinctoxepine
SMILES: O=C(O)C1=CC2=C(OC[C@@](C=C2)(O)C)C=C1
Compound: 6-(2′S-hydroxy-1′-heptyl)-4 -hydroxy-3-methyl-2H-pyran-2-one
SMILES: O=C1OC(=CC(=C1C)O)C[C@@H](O)CCCCC
Compound: GE2270 B1
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)=C(S7)C)CC(=O)N)=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: (7E)-7-ethyl-4,9-dihydroxy-7-undecene-3,6-dione
SMILES: O=C(/C(=C/C(O)CC)/CC)CC(O)C(=O)CC
Compound: Speciosin E
SMILES: O1[C@@]2(C#CC(O)CO)[C@@H](O)C=C[C@@H]([C@@H]12)O
Compound: Pestalotioprolide C
SMILES: O=C1O[C@H](CCCCC[C@@H](CC[C@@H](C=C1)O)O)C
Compound: Stachybotrysin H
SMILES: O=C(C[C@H]1OCC=2C1=C3O[C@]4([C@@]5([C@H](C([C@H](O)[C@@H](C5)O)(C)C)CC[C@H]4C)C)CC3=C(O)C2)C
Compound: Quadricinctone B
SMILES: [S@@](=O)(C1=C2OC(CC(C2=CC(=C1)O)=O)(C)C)C
Compound: 7-O-methylnigrosporolide
SMILES: O=C1O[C@H](CCCC=C[C@@H](C=C[C@@H](C=C1)O)OC)C
Compound: Luminacin A1/A2
SMILES: O=C(C1=C(O)C=C(O)C(=C1)C(=O)C(C)C)C(C2O[C@@H](O)C3(O[C@H]3CC)[C@@H](C2)O)CCC
Compound: Applamatine B
SMILES: O([C@@H]1C2=C(C(=C(CCOC)C(=C2)C)C)C[C@]1(CO)C)C
Compound: Myeloconone A2
SMILES: O=C1C2=C(O)C(OC)=C(O)C=3C2=C(C(OC)=CC3O)C(=C1)C
Compound: Quadricinctafuran A
SMILES: O=C(O)C1=CC(=C2O[C@@H](CC2=C1)C(O)(C)C)C
Compound: Stachybotrysin I
SMILES: O=C(C[C@@H]1OCC=2C1=C3O[C@]4([C@@]5([C@H](C([C@H](O)[C@@H](C5)O)(C)C)CC[C@H]4C)C)CC3=C(O)C2)C
Compound: Pestalotioprolide D
SMILES: O=C1O[C@H](CCCC=C[C@@H](C=CC(CC1)=O)OC)C
Compound: AS1387392
SMILES: O=C1N[C@H](C(=O)N2[C@@H](C(=O)N[C@H](C(N[C@]1(CC)C)=O)CCCCCC(=O)[C@H](O)C)CCC2)CC3=CC=CC=C3
Compound: Blastmycetin C
SMILES: O=C1N[C@@H](C[C@]2(O)C(=O)NC=3C2=C(N([C@H]1C(C)C)C)C=CC3)CO
Compound: 5-hydroxyferulic acid
SMILES: OC(C(=CC1=CC(=C(O)C(=C1)O)OC)[H])=O
Compound: Chinikomycin B
SMILES: ClC1=C(O)C(NC(=O)/C(=C/C(=C/[C@@H](CCCC)C)/C)/C)=CC(=C1/C=C/C=C/C=C/C(=O)N=C2C(=O)CCC2=O)O
Compound: Stachybotrin E
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)C
Compound: Quadricinctafuran B
SMILES: O=C(O)C1=CC(=C2O[C@@H](CC2=C1)C(O)(CO)C)C
Compound: Pestalotioprolide E
SMILES: O=C1O[C@H](CCC[C@@H](O)C=CC=C[C@@H](C=C1)O)C
Compound: Maggiemycin
SMILES: O=C1C2=C(O)C3=C(C(C(=O)OC)C(O)(CC)CC3=O)C(=C2C(=O)C=4C1=C(O)C=CC4)O