MonarchInit/C3PO huggingface dataset:
Compound: Falconensin A
SMILES: ClC1=C(OC)C(Cl)=C(C)C(=C1OC)C(=O)O[C@]2(C(=O)C=C3C=C(/C=C/C)OC[C@H]3[C@@H]2O)C
Compound: Antrodin E
SMILES: O[C@@]12C=C(C)[C@H]3C1([C@@](O)(C)CC2)CC(C)(C)C3
Compound: Kiamycin C
SMILES: O1[C@H]2C3=C(C(OC)=CC=C3)[C@H]([C@]4([C@@H]1CC=5C=C(C)C=C(C5[C@@H]24)O)O)O
Compound: Bipolarol D
SMILES: O=C1OC=2C(OC)=CC(=C3C2C1=C(O)C4=C3O[C@@](C4(C)C)(O)C)C
Compound: Cylindrocarpone C
SMILES: O=C1O[C@H](O)C=2C(O)=C(O)C(=C3C2C1=C(O)C=C3C)O
Compound: Bamylocin A
SMILES: S(CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(OC(=O)[C@@H](NC([C@H](NC([C@H]2N(C([C@@H](NC1=O)CC(C)C)=O)CCC2)=O)CC(C)C)=O)CC(C)C)CCCCCCCCCC)CCC(=O)O)CC(C)C)C
Compound: Geoxantether A
SMILES: O1C2=C(C=C(C)C=C2COC)CC3=C1C=CC(=C3)C
Compound: Cardinalin-6
SMILES: O=C1C2=C(C(=O)C3=C1[C@H](O[C@H](C3)C)C)C=C(OC)C4=C2OC=5C(=O)C=6C(O)=C7C[C@H](C)O[C@@H](C7=C(C6C(C45)=O)O)C
Compound: N-(1-cinnamoylpyrrolidin-2-yl)cinnamamide
SMILES: O=C(N1[C@@H](NC(=O)/C=C/C2=CC=CC=C2)CCC1)/C=C/C3=CC=CC=C3
Compound: Stereumamide A
SMILES: O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)[C@H](O)C)C(O)(C)C3C1=CC(C)(C)C3
Compound: Bipolarenic acid
SMILES: O=C1O[C@@H](O)[C@H](C(C)C)[C@@H]2[C@@]1(CC=C(CCC3=C(C(=CC2)C(=O)O)CC[C@@H]3C)C)C
Compound: Mollemycin A
SMILES: O=C1O[C@H]([C@H](NC(=O)C(O)(C2(OC(C(C(=O)C(O)(CC)C)CC2)CC)O)C)C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](COC)C(N4C(C(N5[C@H](C(N([C@H]1CC)O)=O)[C@](O)(CC5)C)=O)C=C(O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H]([C@@H](O)[C@H](C7)OC)C)[C@H](C6)OC)C)CN4)=O)C(C)C
Compound: Epicocconigrone B
SMILES: O=C1C2=C(C(O)=C(O)C(=C2C)O)C[C@@]3([C@]1(O)C(=O)C(C)=C3C)C
Compound: 3-O-formyl inonotic acid A
SMILES: O=C(O)C(CCC=C([C@@H]1C[C@H](OC=O)[C@@](O)(C)CC1)C)C
Compound: 8-((1R,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl)octanoic acid
SMILES: O=C1C=C[C@@H]([C@H]1CCCCCCCC(=O)O)CCCCC
Compound: Stereumamide B
SMILES: O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)[C@H](CC)C)C(O)(C)C3C1=CC(C)(C)C3
Compound: 3-epi-merulin A
SMILES: O=C1[C@]2(OO[C@@H]3[C@@H](O)CC[C@@]2(C(C)(C)CC1)C3)C
Compound: (3Z,6S)-3-benzylidene-6-(2S-but-2-yl)piperazine-2,5-dione
SMILES: O=C/1N[C@H](C(=O)N\C1=C/C2=CC=CC=C2)[C@H](CC)C
Compound: Micropeptin DR1006
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CCC(=O)N)C(=O)N[C@H](C(=O)N[C@H]3CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC4=CC=CC=C4)C)=O)CC(C)C)C3=O)O)CC(C)C)C
Compound: Neopolyoxin B
SMILES: O=C1N(C=C(N1)C(=O)O)[C@@H]2O[C@H]([C@H](NC(=O)[C@@H](N)[C@@H]([C@H](O)C3=NC=C(O)C=C3)C)C(=O)O)[C@H]([C@H]2O)O
Compound: Stereumamide C
SMILES: O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)C(C)C)C(O)(C)C3C1=CC(C)(C)C3
Compound: Aspvanicin A
SMILES: O=C1C2=C(O)C=C(OC)C(=C2[C@H](OC)[C@@H](C1)CC(=O)C)O
Compound: (3S,6R,7S)-zingiberenol
SMILES: O[C@@]1(C=C[C@@H]([C@H](CCC=C(C)C)C)CC1)C
Compound: Apratoxin F
SMILES: S1C2=NC(C1)C=C(C(=O)N[C@H](C(=O)N([C@H](C(=O)N(C)[C@H](C(N([C@H](C(O[C@@H](C[C@H](C[C@@H]([C@@H]2C)O)C)C(C)(C)C)=O)C)C)=O)[C@H](CC)C)C)C)CC3=CC=C(OC)C=C3)C
Compound: PF1018
SMILES: O=C/1N2[C@@H](CCC2)C(\C1=C(\O)/C=C/[C@H]3[C@@]4(C=C([C@H](C)[C@]5([C@H]([C@@H]3C(=C5)C)C(=C4)C)C)C)C)=O
Compound: Aeruginosamide
SMILES: S1C(=NC(=C1)C(=O)OC)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N(CC=C(C)C)CC=C(C)C)C(CC)C)C(C)C)CCC2
Compound: Stereumamide D
SMILES: O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)CC=3C4=C(C=CC=C4)NC3)C(O)(C)C5C1=CC(C)(C)C5
Compound: Aspvanicin B
SMILES: O=C1C2=C(O)C=C(OC)C(=C2[C@@H](OC)[C@@H](C1)CC(=O)C)O
Compound: Terretonin G
SMILES: O=C1[C@@H](O)[C@@]2([C@@H](C(=O)OC)[C@@](C(=C)C[C@H]2[C@]3([C@H]1C(C(=O)CC3)(C)C)C)(C(=O)[C@](O)(C(=O)OC)C)C)C
Compound: Fusaricidin D
SMILES: O=C1OC([C@H](NC(=O)CC(O)CCCCCCCCCCCCN=C(N)N)C(=O)N[C@@H](C(=O)NC(CC2=CC=C(O)C=C2)C(N[C@@H](C(N[C@@H](C(N[C@@H]1C)=O)CCC(=O)N)=O)[C@@H](O)C)=O)C(C)C)C
Compound: Plastin B
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)CCCN=C(N)N)=O)CC2=CC=C(O)C=C2)CC(C)C)CC(C)C
Compound: ECO-0501
SMILES: O=C1C(NC(=O)/C(=C/C=C/C=C/C=C/C=C/C(C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]2O)O)/C(=C/C(CCC/C=C/C(C/C=C/CCCN(C(=N)N)C)C)C)/C)C)/C)=C(O)CC1
Compound: Cytoskyrin C
SMILES: O=C1C2=C(OC)C=C(O)C=C2C(O)=C3[C@]14[C@H]5C(=O)C6=C(O)C=7C(O)=CC(=CC7C([C@@]86[C@@H]([C@H]4[C@H](O)[C@@H]8C3=O)[C@@H]5O)=O)OC
Compound: Fusopoltide A
SMILES: O=C1O[C@H]([C@H](O)C2=C1[C@@H]3[C@@H](C(=O)CC3)[C@H]2OC)C
Compound: 5,6-dimethoxymellein
SMILES: O=C1O[C@H](CC=2C1=C(O)C=C(OC)C2OC)C
Compound: Ralfuranone I
SMILES: O=C1OC(C(=O)O)=C(C1=CC2=CC=CC=C2)C3=CC=CC=C3
Compound: Rhytidchromone B
SMILES: O=C1C2=C(OC(=C1)C)C(=C(OC)C=C2O)[C@H](OC)C[C@@H](OC)C(=O)OC
Compound: 3-methoxy-2-methyl-4-pyrone
SMILES: O=C1C(OC)=C(OC=C1)C
Compound: Penitanzchroman
SMILES: O=C(O)/C=C/C=C/C1=C2C(=CC=C1C[C@@H]3O[C@H](CC=4C3=C(OC)C=C(O)C4C)C)C[C@@H](C)C[C@H]2C
Compound: Fusosteride A
SMILES: O=C1C(=C2[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC2)(C)CC1)CC(=O)O
Compound: Piericidin B5 N-oxide
SMILES: O(C1=[N+]([O-])C(=C(C)C(=C1OC)O)C/C=C(/C/C=C/C(=C/[C@@H]([C@H](OC)/C(=C/CC)/C)C)/C)\C)C
Compound: Mangrovamide A
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[C@@H](C7)C)C3)C
Compound: Micropeptin MZ939B
SMILES: S(=O)(=O)(O[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@H](OC)CC2)CCCN=C(N)N)CO)O
Compound: Pestalasin B
SMILES: O=C1OC2=C(OC)C=C(OC)C=C2C=C1C(O)C(O)C
Compound: Tanzawaic acid Y
SMILES: O=C(O)/C=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)[C@H](O)[C@@H](C)C[C@H]2C
Compound: Violaceimide A
SMILES: S(C[C@H](O)C(=O)O)C[C@@H](N1C(=O)[C@H](C)CC1=O)C(=O)OC
Compound: Desacetylmicrocolin B
SMILES: O=C1N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](C[C@@H](CCCC)C)C)C)CC(C)C)[C@H](O)C)C)C(C)C)CCC2)[C@@H](C)C=C1
Compound: Mangrovamide B
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@]17[N+]([O-])(C[C@@H](C7)C)C3)C
Compound: Violaceimide B
SMILES: S(C[C@H](O)C(=O)OC)C[C@@H](N1C(=O)[C@H](C)CC1=O)C(=O)OC
Compound: Nodulisporic acid D3
SMILES: O=C1[C@@](/C=C/C=C(/C(=O)O)\C)([C@H]2[C@]([C@]3(C=4NC=5C=C6C[C@@H]7C(OC(C=C7C6=CC5C4C[C@@H]3CC2)(C)C)(C)C)C)(C)CC1)C
Compound: Tanzawaic acid Z
SMILES: O=C(O)/C=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)C[C@@H](C(=O)OC)C[C@H]2C
Compound: Cylindrocarpol
SMILES: O=CC1=C(O)C(=C(O)C=C1C)C/C=C(/CC/C=C(/CC[C@H](O)C(O)(C)C)\C)\C
Compound: Guignardin F
SMILES: O=C1C2=C(O)C=CC=C2C3(OC=4C=5C(C=CC4)=CC=CC5O3)[C@H]6[C@@H]1O6
Compound: Violaceimide C
SMILES: S(CC(=O)O)C[C@@H](N1C(=O)[C@H](C)CC1=O)C(=O)OC
Compound: Pyrrolomycin I
SMILES: ClC1=C(OC)C(C(=O)C=2NC(Cl)=C(C2)Cl)=CC(=C1)Cl
Compound: Phomopsichalasin E
SMILES: O=C1N[C@H](CC2=CC=CC=C2)[C@@H]3[C@]14[C@@H](O)C=C[C@@](O)(C[C@@H](CC=C[C@@H]4C=C(C(=O)O)[C@@H]3C)C)C
Compound: AM-4299-A
SMILES: O=C(O)C1OC1C(=O)NC(C(=O)NCCCCCO)CC(C)C
Compound: Alteryulactone
SMILES: O=C1OCC=2C=C(O)C(=CC2C=3C1=C(O)C=C(O)C3)O
Compound: (+)-eurotiumide A
SMILES: O=C1O[C@H]([C@H](OC)C=2C1=C(O)C(=CC2O)CC=C(C)C)CCCCC
Compound: Violaceimide D
SMILES: S(CC(=O)OC)C[C@@H](N1C(=O)[C@H](C)CC1=O)C(=O)OC
Compound: Pityrialactone
SMILES: O=C1OC(C=2C3=C(C=CC=C3)NC2)=C(C1=O)C=4C5=C(C=CC=C5)NC4
Compound: Penicimenolidying
SMILES: O=C(OC)NC1=C(C=CC(=C1)NC(=O)OC)COC(=O)C(C)(C)C
Compound: Epothilone C5
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
Compound: rel-(8S,19S)-19,20-dihydro-9,19,20-trihydroxy-8-methoxy-9-epi-fumitremorgin C
SMILES: O=C1N2[C@@H](C(=O)N3[C@@]1(O)[C@H](OC)C=4C5=C(C=C(OC)C=C5)NC4[C@H]3[C@@H](O)C(O)(C)C)CCC2
Compound: (+)-eurotiumide B
SMILES: O=C1O[C@H]([C@@H](OC)C=2C1=C(O)C(=CC2O)CC=C(C)C)CCCCC
Compound: Violaceimide E
SMILES: S(SC[C@@H](N1C(=O)[C@H](C)CC1=O)C(=O)OC)C[C@@H](N2C(=O)[C@H](C)CC2=O)C(=O)OC
Compound: Phomapyrrolidone A
SMILES: O=C1[C@@H]2[C@@]3(C(=C(C)[C@@H]4[C@H]2[C@@H](OC5=CC=C(C[C@H]6[C@H]1C(=O)NC6=O)C=C5)[C@H]7[C@@H](C[C@@H](C[C@H]47)C)C)[C@@H](C)C(=C3)C)C
Compound: Penostatin A
SMILES: O=C1C=C2[C@@H](C[C@H](C2)O)[C@H]3[C@H]1O[C@H](C(C)=C3)/C=C/CCCCCCC
Compound: 16alpha,25-dihydroxyeburiconic acid
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H](C(C(=O)O)CCC(=C)C(O)(C)C)[C@@H](C4)O)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Penicimenolidyu A
SMILES: O=C(OCCC(=O)OC)C1=C(O)C=C(O)C=C1C
Compound: (-)-eurotiumide B
SMILES: O=C1O[C@@H]([C@H](OC)C=2C1=C(O)C(=CC2O)CC=C(C)C)CCCCC
Compound: Confluenine A
SMILES: O=C(N(O)[C@@H](C(=O)N)[C@H](CC)C)[C@H](CC)C
Compound: Sabetaafrin B
SMILES: O=C1C=C2C(=COC(=C2)CC(O)C)[C@@H]3[C@]1(OC(=O)[C@@H]3C(=O)/C=C(\O)/C=C/C=C/C(CC)C)C
Compound: Lystabactin B
SMILES: O=C1OC[C@@H](NC(=O)C[C@H](O)[C@@H](N)CCCCNC(=O)C2=C(O)C(O)=CC=C2)C(=O)N[C@@H](CCCN(O)C=O)C(N[C@@H](C(N[C@H]1CCCN(O)C=O)=O)CC(=O)N)=O
Compound: Penicimenolidyu B
SMILES: O=C(OCC[C@H](O)C(=O)OC)C1=C(O)C=C(O)C=C1C
Compound: Enniatin L
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)C(C)C)C)C(C)C)C(C)C)C)[C@](O)(CC)C
Compound: (+)-eurotiumide C
SMILES: O=C1O[C@H]([C@H](OC)C=2C1=C(O)C(=CC2O)CC=C(C)C)CC/C=C/C
Compound: Confluenine B
SMILES: O=C(N(O)[C@H](C(=O)N)[C@H](CC)C)[C@H](CC)C
Compound: Nigrospoxydon C
SMILES: O=C1C(=C[C@@H](O)[C@@H]([C@H]1OC(=O)C2=CC(O)=CC=C2)O)CO
Compound: Septocylindrin A
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)NC(CNCCO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)O)(C)C)(C)C)C(C)C)CCC1)C(NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]3N(C(=O)C(NC(=O)C)(C)C)CCC3)(C)C)C)(C)C)C)CCC(=O)N)(C)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: 1-[(2R,3R,3aR,6S,7R,7aS)-2,6,7-trihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-yl]-3-methylbutan-1-one
SMILES: O=C([C@@]1(O[C@@H]2[C@@H](O)[C@](O)(C)CC[C@@H]2[C@H]1C)O)CC(C)C
Compound: 23672 RP
SMILES: O=C1O[C@@H]([C@@H]([C@H](OC(=O)[C@H](O)C(C)C)[C@H](C(=O)[C@](O)(C)C[C@@H]([C@@H](C([C@@H]([C@H]1C)O[C@@H]2O[C@H]([C@H](O)[C@@](C2)(O)C)C)C)O[C@@H]3O[C@@H](CC([C@H]3O)=O)C)C)C)C)[C@H](CO[C@@H]4O[C@@H]([C@@H](O)[C@H]([C@H]4OC)OC)C)C
Compound: (-)-eurotiumide C
SMILES: O=C1O[C@@H]([C@@H](OC)C=2C1=C(O)C(=CC2O)CC=C(C)C)CC/C=C/C
Compound: Confluenine C
SMILES: O=C(N(O)[C@@H](C(=O)NO)[C@H](CC)C)[C@H](CC)C
Compound: (2S,3R,3aR,6S,7R,7aS)-2-[(1R)-1-hydroxy-3-methylbutyl]-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-1-benzouran-6,7-diol
SMILES: O1[C@@H]2[C@@H](O)[C@@](O)(CC[C@@H]2[C@H]([C@H]1[C@H](O)CC(C)C)C)C
Compound: Pichiacin B
SMILES: O=C(OCCC1=CC=CC=C1)CCCO
Compound: Aeruginosin GE686
SMILES: BrC1=C(O)C(Cl)=CC(=C1)C[C@@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)O)C[C@H]2C(=O)NCCCCN=C(N)N)[C@H](CC)C
Compound: Trichobotryside A
SMILES: O=C1O[C@@H](CC[C@@H](O)C=CC(=O)O[C@@H](CC[C@H](C=C1)O)C[C@@H](O)C)C[C@@H](O)C
Compound: (+)-eurotiumide D
SMILES: O=C1O[C@H]([C@@H](OC)C=2C1=C(O)C(=CC2O)CC=C(C)C)CC/C=C/C
Compound: Confluenine D
SMILES: O=C(N(O)[C@H](C(=O)NO)[C@H](CC)C)[C@H](CC)C
Compound: (3S,4R)-Ketose 1-phosphate
SMILES: OCC(O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O
Compound: Chetracin B
SMILES: S1S[C@@]2(N(C)C([C@]3(S1)N([C@H]4NC=5C=CC=CC5[C@]4([C@@H]3O)C67C8=C(C=CC=C8)N[C@@H]6N9C(=O)[C@]%10(CO)SS[C@@]9([C@H]7O)C(=O)N%10C)C2=O)=O)CO
Compound: Petchiether B
SMILES: O=C(O)C1=CCC2=C(OC([C@H](O)CCC(=CCC1)C)(C)C)C=CC(=C2)O
Compound: (2S,3aR,6S,7R,7aS)-2-[(1R)-1-hydroxy-3-methylbutyl]-6-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-1-benzouran-6,7-diol
SMILES: O1[C@@H]2[C@@H](O)[C@@](O)(CC[C@@H]2C([C@H]1[C@H](O)CC(C)C)=C)C
Compound: Confluenine E
SMILES: O=C(N(O)[C@@H](C(=O)OCC)[C@H](CC)C)/C(=N\O)/[C@H](CC)C
Compound: Soudanone B
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2C)CCCCCCC(=O)O
Compound: (-)-eurotiumide D
SMILES: O=C1O[C@@H]([C@H](OC)C=2C1=C(O)C(=CC2O)CC=C(C)C)CC/C=C/C
Compound: Preubetaiafuran A
SMILES: O=C(O)C1=C(C(O)=C2OC=3C(C2=C1C)=C(O)C4=C(COC4)C3C)CO
Compound: Confluenine F
SMILES: O=C(N(O)[C@H](C(=O)OCC)[C@H](CC)C)/C(=N\O)/[C@H](CC)C
Compound: Cytochalasin Z
SMILES: O=C1[C@@]23C(=O)NC([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3C=CC[C@@H](CC([C@H]5[C@H]1O5)=O)C)O4)C)CC=6C7=C(C=CC=C7)NC6
Compound: Cerrenin A
SMILES: O=C1[C@]2([C@@H](O)C[C@@]1([C@@H](O)[C@@H]3[C@H]2CC(C)(C)C3)C)C
Compound: Oidiolactone D
SMILES: O=C1O[C@@H](O)[C@@]23O[C@@H]2[C@H]4OC([C@@]5([C@H]4[C@@](C3=C1)(CCC5)C)C)=O
Compound: (+)-eurotiumide E
SMILES: O=C1O[C@@H](/C=C/CCC)[C@@H](OC)C=2C1=C(O)C(=CC2O)CC=C(C)C
Compound: SCH 27899
SMILES: ClC1=C(OC)C(=C(C)C(=C1O)Cl)C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H]([C@H](OC)[C@](C3)([N+](=O)[O-])C)C)C[C@H](O[C@H]4[C@H](O)C[C@@]5(O[C@@]6([C@H](O)[C@H](O[C@H]7[C@@H](OC)[C@H](O[C@H]([C@@H]7O)O[C@H]8[C@H](O)[C@H](OC)[C@H](O[C@@H]9OC[C@@H]%10O[C@@]%11(O[C@H]%10[C@H]9O)OC[C@@H](OC(=O)C%12=C(O)C=C(O)C=C%12C)[C@H]%13[C@H]%11OCO%13)O[C@@H]8COC)C)O[C@@H]([C@H]6O5)C)C)O[C@@H]4C)O[C@@H]2C
Compound: Eupenicilazaphilone A
SMILES: ClC=1C(=O)[C@](O)([C@H](O)[C@H]2C1C=C(OC2)/C=C/[C@](O)([C@H](O)[C@H](CC)C)C)C
Compound: Cerrenin B
SMILES: O=C1C=C2[C@@]3(O)[C@H](CC(C3)(C)C)[C@@H]([C@]2([C@@H]1C)C)O
Compound: Cycloaspeptide C
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N([C@H](C(NC2=C1C=CC=C2)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C
Compound: (-)-eurotiumide E
SMILES: O=C1O[C@H](/C=C/CCC)[C@H](OC)C=2C1=C(O)C(=CC2O)CC=C(C)C
Compound: 7alpha,14-Dihydroxy-6beta-p-nitrobenzoylconfertifolin
SMILES: O=[N+]([O-])C1=CC=C(C(=O)O[C@@H]2[C@@H](O)C=3C(=O)OCC3[C@@]4([C@@H]2[C@](CCC4)(CO)C)C)C=C1
Compound: Truncateol G
SMILES: Cl[C@@H]1[C@@]2(O)[C@@H](O[C@H](C2)C(O)(C)C)CC([C@@H]1O)=C=CC(=C)C
Compound: Expansol A
SMILES: O(C1=CC(O)=C(CC2=CC(O)=C([C@@](OC)(CCCC(C)C)C)C=C2)C(=C1)C)C3=CC(O)=CC(=C3)C
Compound: Eupenicilazaphilone B
SMILES: ClC=1C(=O)[C@](O)([C@H](O)[C@@H]2C1C=C(OC2)/C=C/[C@](O)([C@H](O)[C@H](CC)C)C)C
Compound: 11-(Methylthiono)canthin-6-one
SMILES: S(C1=C2C(N3C(=O)C=CC=4C3=C2C=CN4)=CC=C1)C
Compound: Polanrazine F
SMILES: O=C1N[C@](O)(C(=O)N[C@@]1(O)C(C)C)CC=2C3=C(C=CC=C3)NC2
Compound: Cerrenin C
SMILES: O=C1C(=C2[C@@]3(O)[C@H](CC(C3)(C)C)[C@@H]([C@]2(C1)C)O)C
Compound: Truncateol H
SMILES: Cl[C@@H]1[C@@]2(O)[C@@H](O[C@H](C2)C(O)(C)C)CC([C@H]1O)=C=CC(=C)C
Compound: SMA-76a
SMILES: O=C1C=C(O)C2=C(O)C3=C(O)C=4C(=CC(=CC4OC3=CC2=C1)O)C
Compound: Eupenicilazaphilone C
SMILES: ClC=1C(=O)[C@](O)([C@H](OC(=O)C)[C@@H]2C1C=C(OC2)/C=C/[C@](O)([C@H](O)[C@H](CC)C)C)C
Compound: Ophiocerin D
SMILES: O=C(O[C@@H]1[C@H](O)[C@@H](O)CO[C@@H]1C)/C=C\C
Compound: (-)-spirocochlealactone A
SMILES: O=C1OC2=C(C=C(O)C=C2)[C@@]3([C@]1(CC(=O)C4=C(O)C=CC(=C4)O)CC/C=C(/CCC=C(C)C)\C)OC(=O)C(=C3)CC/C=C(/CCC=C(C)C)\C
Compound: Curcutetraol
SMILES: OC1=C(C=CC(=C1)CO)[C@@](O)(CCCC(O)(C)C)C
Compound: 1-methylguanine
SMILES: Cn1c(N)nc2[nH]cnc2c1=O
Compound: 12-O-acetyl-AGI-B4
SMILES: O=C1C2=C(OC3=C1[C@@H](C(=O)OC)[C@H](O)C=C3)C=C(COC(=O)C)C=C2O
Compound: alpha-Ribf-(1->2)-alpha-Ribf-(1->3) -alpha-Ribf
SMILES: O1[C@H](O[C@H]2[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O[C@H]3O[C@H](CO)[C@H]([C@H]3O)O)[C@@H]([C@H]1CO)O
Compound: 18alpha-Oleanane
SMILES: [C@@]12([C@]3(C([C@H]4[C@@](CCC(C4)(C)C)(C)CC3)CCC1[C@@]5(C(C(CCC5)(C)C)CC2)C)C)C
Compound: Eupenicillin A
SMILES: O=C1O[C@@H](CC=2C1=C(OC)C=C(O)C2)CO
Compound: VM-44857
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](C(=CC)C)[C@@H](C)CC3)O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](O)[C@H]5OC4)C)O)C)C
Compound: (+)-spirocochlealactone A
SMILES: O=C1OC2=C(C=C(O)C=C2)[C@]3([C@@]1(CC(=O)C4=C(O)C=CC(=C4)O)CC/C=C(/CCC=C(C)C)\C)OC(=O)C(=C3)CC/C=C(/CCC=C(C)C)\C
Compound: Orthosporinin
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O)C2)/C=C/C
Compound: Tricycloalternarene M
SMILES: O=C1C2=C(O[C@@]3(CC=C([C@@H]3C2)[C@H](CCC(=O)C(=C)C)C)C)CC[C@H]1O
Compound: CJ-12954
SMILES: O=C1O[C@H](CCCCCC[C@H]2O[C@@]3(OC(C)CC3)CC2)C=4C1=C(OC)C=C(OC)C4
Compound: 5′beta-hydroxyzearalenone
SMILES: O=C1O[C@H](CCCC(=O)[C@@H](O)CCC=CC=2C1=C(O)C=C(O)C2)C
Compound: Sulphureuine F
SMILES: O=C1OC[C@H]2[C@H]1[C@@]3([C@H](C([C@H](O)CC3)(C)C)CC2)C
Compound: Nocardicyclin A
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](O)[C@](C5)(N(C)C)C)C)OC)C3)C(OC)=CC=C2O
Compound: (-)-spirocochlealactone B
SMILES: O=C1OC2=C(C=C(O)C=C2)[C@]3([C@]1(CC(=O)C4=C(O)C=CC(=C4)O)CCC=C(C)C)OC(=O)C(=C3)CC/C=C(/CCC=C(C)C)\C
Compound: Tricycloalternarene N
SMILES: O=C1C2=C(O[C@@]3(CC=C([C@@H]3C2)[C@H](CC/C=C(/C(=O)O)\C)C)C)CC[C@H]1O
Compound: Roritoxin A
SMILES: O=C1OC[C@@]23[C@@]4(C5(OC5)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=C[C@@]67[C@@H](C(=C1)CCO6)OC(O)C7O)C
Compound: 7'beta-hydroxyzearalenone
SMILES: O=C1O[C@H](CC[C@@H](O)C(=O)CCCC=CC=2C1=C(O)C=C(O)C2)C
Compound: Parmosidone B
SMILES: O=C1OC2=C(C(=C(O)C(=C2C)C(=O)O)CO)OC3=C1C(=CC(=C3O)O)C
Compound: 2,4,6,8,10,12-tetradeca-1,14-hexenedial
SMILES: O=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O
Compound: (+)-spirocochlealactone B
SMILES: O=C1OC2=C(C=C(O)C=C2)[C@@]3([C@@]1(CC(=O)C4=C(O)C=CC(=C4)O)CCC=C(C)C)OC(=O)C(=C3)CC/C=C(/CCC=C(C)C)\C
Compound: Cheimonophyllon E
SMILES: O=C([C@H]1O[C@@H]2[C@@H](O)[C@](O)(C)CC[C@@H]2C1=C)CC(C)C
Compound: Vertilecanin A Methy ester
SMILES: O=C(OC)C1=NC=C([C@H](O)C2=CC=CC=C2)C=C1
Compound: 9′alpha-hydroxyzearalenone
SMILES: O=C1O[C@H]([C@@H](O)CCC(=O)CCCC=CC=2C1=C(O)C=C(O)C2)C
Compound: Janthinopolyenemycin A
SMILES: O=C(O)/C=C/C=C/C=C/C=C/[C@@]1([C@@H](C(=C[C@H]2[C@H]1CC[C@@H]([C@@H]2O)C)C)/C(=C/C)/C)C
Compound: (-)-spirocochlealactone C
SMILES: O=C1OC2=C(C=C(O)C=C2)[C@]3([C@]1(CC(=O)C4=C(O)C=CC(=C4)O)CC/C=C(/CCC=C(C)C)\C)OC(=O)C(=C3)CCC=C(C)C
Compound: GR135402
SMILES: O=C(O[C@@H]1[C@H](OC)[C@H](O[C@H]([C@H]1O)OCC23C4(C(C(C)C)=CC2C[C@]4(C=O)[C@@H]5CC[C@H]([C@H]5C3)C)C(=O)O)C)\C(=C/C=C/C)\C
Compound: methyl 3,5-dichloro-4-hydroxybenzoate
SMILES: ClC1=C(O)C(Cl)=CC(=C1)C(=O)OC
Compound: Aurantimycin C
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@](O)([C@]2(O[C@H]([C@H](CC(C)C)CC2)C)O)C)C(=O)N3N=CCC[C@@H]3C(=O)N(O)[C@@H](COC)C(NCC(N4[C@H](C(N([C@@H]1C)O)=O)CCC=N4)=O)=O)C(C)C
Compound: Fusahydronaphthalene
SMILES: O=C([C@]1([C@H](C=C[C@@H]2[C@@H]1CC[C@@H](C2)C)/C=C/C)C)C
Compound: (+)-spirocochlealactone C
SMILES: O=C1OC2=C(C=C(O)C=C2)[C@@]3([C@@]1(CC(=O)C4=C(O)C=CC(=C4)O)CC/C=C(/CCC=C(C)C)\C)OC(=O)C(=C3)CCC=C(C)C
Compound: (10S,12S)-10-hydroxy-12-methyloxacyclododecane-2,5-dione
SMILES: O=C1O[C@H](C[C@@H](O)CCCCC(CC1)=O)C
Compound: Janthinopolyenemycin B
SMILES: O=C(O)/C=C/C=C/C=C/C=C/[C@@]1([C@@H](C(=C[C@H]2[C@H]1CC[C@@H]([C@@H]2O)C)CO)/C(=C/C)/C)C
Compound: (2S,3R)-5-hydroxy-6,8-dimethoxy-2,3-dimethyl-2,3-dihydro-4H-naphtho[2,3-b]-pyran-4-one
SMILES: O=C1C2=C(O)C3=C(OC)C=C(OC)C=C3C=C2O[C@H]([C@H]1C)C
Compound: Marinocyanin F
SMILES: BrC=1C(=O)C2=NC3=C(C=CC=C3)N(C2=CC1)CC4=C(CC(C)(C)C[C@@H]4O)C
Compound: Pichiacin A
SMILES: O=C(OCCC1=CC=CC=C1)CCCCO
Compound: P371A2
SMILES: O=C1C2=C(C(=O)C3=C1[C@@]4(O)[C@](O)([C@H](OC(=O)C)C(C)=C[C@@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](C5)OC)C)[C@H]([C@H]3O)OC(=O)C)C(O)=C([C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](NC(=O)N)CC8)C)[C@](C7)(O)C)C)C)C=C2
Compound: Nigirpexin A
SMILES: O=C1O[C@H](/C=C/C=C/C)CC=2C1=C(O)C(=CC2)C
Compound: Croibetaamide
SMILES: O=C1N2[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N4[C@H](C(=O)N[C@H](C(=O)NC(C(N5[C@H](C(N6[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC7=CC=CC=C7)=O)CC(C)C)=O)CC=8C9=C(C=CC=C9)N(C8)C(C=C)(C)C)=O)CCC6)=O)CCC5)=O)C)C)CCC4)CC(C)C)CCC3)CCC2
Compound: Nigirpexin B
SMILES: O1[C@H](/C=C/C=C/C)CC=2C=C(O)C(=CC2C1)C
Compound: Hericenone B
SMILES: O=C1N(CC=2C1=C(O)C(=C(OC)C2)C/C=C(/CC(=O)C=C(C)C)\C)CCC3=CC=CC=C3
Compound: Homo-dehydrorabelomycin E
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3C1C(O)=CC=4C=C(CC)C=C(C34)O
Compound: Ergocladinine
SMILES: S(CC[C@@H]1N2C(=O)[C@@](NC(=O)C3C=C4C5=C6C(NC=C6CC4N(C3)C)=CC=C5)(C(C)C)OC2(O)[C@@H]7CCCN7C1=O)C
Compound: Stereumin R
SMILES: O1[C@@H](OC)C(=C2[C@@H](O)C[C@@H]([C@@H]3[C@@H]2[C@@H]1C(=CC3)C)C)CO
Compound: Amoenamide B
SMILES: O=C1N2[C@]3(C(=O)N[C@]14[C@H](C(C)(C)[C@@]5(C4)NC=6C7=C(OC(C)(C)C=C7)C=CC6C5=O)C3)CCC2
Compound: Wailupemycin L
SMILES: O=C1C(C2=C3C(C=C(OC3=C1)C[C@H](O)CC(=O)O)=CC=C2)=C(O)C
Compound: F-10863B
SMILES: O=C(O)[C@@]1(O)[C@@]2(O[C@@](CCCC(OC(=O)C)C(C/C=C/C3=CC=CC=C3)C)(O[C@H]1C(=O)OC)[C@H]([C@@H]2OC(=O)CCCCCC/C=C/C4=CC=CC=C4)O)C(=O)O
Compound: Nigirpexin C
SMILES: O=C1C2=C(C[C@@H](/C=C/C=C/C)OC2)C[C@@H]([C@]1(O)C)O
Compound: Spirogliotoxin
SMILES: S1[C@]2(NC(=O)[C@](SC)(CO)NC2=O)CC=3[C@H]1[C@@H](O)C=CC3
Compound: Geomycin C
SMILES: O=C1C=C(OC)[C@]2(OC=3C=C(C)C=C(C3C2=O)OC(=O)C4=C(OC5=C(OC)C=C(O)C=C5C(=O)OC)C=C(C)C=C4O)C(=C1)C(=O)OC
Compound: (10R)-xylariterpenoid B
SMILES: O=C1C=C([C@H]2[C@@]([C@@H]1C2)(CC[C@@H](O)C(O)(C)C)C)C
Compound: Nigirpexin D
SMILES: O=C1C=C2C=C(OC[C@@H]2[C@H]([C@@]1(O)C)O)/C=C/C(O)C(O)C
Compound: Borrelidin L
SMILES: O=C1O[C@H]([C@H]2[C@H](C(=O)O)CCC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@@H](C[C@@H]([C@@H]([C@@H]([C@H](C1)O)C)O)C)C
Compound: Leptosphaerin
SMILES: O=C1O[C@H]([C@H](O)CO)C=C1NC(=O)C
Compound: (1R,3E,7E,11E)-3,7,11,16-tetramethyl-1-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]heptadeca-3,7,11-triene-1,15,16-triol
SMILES: O1[C@@](CCC=C(C)C)(C)[C@H]1[C@H](O)C/C(=C/CC/C(=C/CC/C(=C/CCC(O)C(O)(C)C)/C)/C)/C
Compound: (10S)-xylariterpenoid A
SMILES: O=C1C=C([C@H]2[C@@]([C@@H]1C2)(CC[C@H](O)C(O)(C)C)C)C
Compound: Nigirpexin E
SMILES: O[C@@H]1[C@@H](C(=C2CC(C)(C)C[C@H]2[C@H](C1)C)CO)CO
Compound: Cinerubin B
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C4=C([C@@H](C(=O)OC)[C@@](O)(CC)C[C@@H]4O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@H]7O[C@@H]8O[C@@H](C)C(C[C@@H]8O[C@H]7C6)=O)C)[C@H](C5)N(C)C)C)C3)C(O)=CC=C2O
Compound: Emericelactone A
SMILES: O=C1O[C@H]2C(C)(C)C([C@@]1([C@@]2(/C=C/C=C/C=C(\C=C(\[C@@H](O)/C(=C/C)/C)/C)/C)C)C)=O
Compound: Nodulisporiviridin D
SMILES: O=C1C2=C(C=CC3=C2CCC3=O)[C@](O)(C)C4=C1OC=C4[C@@H](O)CCO
Compound: Nambinone C
SMILES: O=C1C=C2[C@]([C@H](C[C@H]([C@@H]2O)O)C)(C)[C@@H]3[C@H]1C3(C)C
Compound: Divergolide C
SMILES: O=C1O[C@@H](C=C(C)C)[C@@H](O)C=C[C@@H](CCC(C=2C=3C(C=4[C@]1(C=CC(=O)NC4C(=O)C3C=C(C)C2O)C)=O)=O)CC
Compound: Ganoleucoin AA
SMILES: O=C1C2=C3[C@@](O)([C@@H](OC(=O)C)[C@]4([C@]2(C(=O)C[C@@H]4[C@@H](CCC=C(C(=O)O)C)C)C)C)C5CC([C@@](C(C1)[C@@]35C)(CO)C)=O
Compound: Antrocamol LT3
SMILES: O=C1C(OC)=C(OC)[C@H](O)[C@@H]([C@H]1C)C/C=C(/CC/C=C(/C/C=C/C(O)(C)C)\C)\C
Compound: Emericelactone B
SMILES: O=C1O[C@H]2C(C)(C)C([C@@]1([C@@]2(/C=C/C=C/C=C(/[C@@H]3[C@H](C(=O)[C@]([C@H]3C)(O)C)C)\C)C)C)=O
Compound: (E)-4-[(1R,5R,6R)-4-(acetyloxymethyl)-3-[(E)-hept-1-enyl]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
SMILES: O=C1C(=C([C@@H](O)[C@@H]2[C@]1(O2)C/C=C(/C(=O)O)\C)COC(=O)C)/C=C/CCCCC
Compound: Hirsutellone D
SMILES: O=C1[C@H]2[C@H](C=C[C@@H]3[C@@H]2[C@@H](OC4=CC=C(C[C@H]5[C@H]1C(=O)NC5=O)C=C4)[C@@H]6CC[C@H](C[C@@H]36)C)/C=C\C
Compound: Divergolide I
SMILES: O=C1O[C@@H](C=C[C@@H](CCC(C=2C=3C(C=4[C@@]1(C=CC(=O)NC4C(=O)C3C=C(C)C2O)C)=O)=O)CC)[C@@H](O)C=C(C)C
Compound: Chlorohydroaspyrone A
SMILES: Cl[C@H](C=1C(=O)O[C@H](C)[C@H](C1)O)[C@@H](O)C
Compound: Ganoleucoin T
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@@]3(CO)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1O)C)[C@@H](C[C@H](O)/C=C(/C(=O)O)\C)C)C
Compound: Emericelactone C
SMILES: O=C1O[C@H]2C(C)(C)C([C@@]1([C@@]2(/C=C/C=C\C=C(\[C@@H]3[C@H](C(=O)[C@]([C@H]3C)(O)C)C)/C)C)C)=O
Compound: L-fucopyranose
SMILES: C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
Compound: Bostrycin
SMILES: O=C1C2=C(C(=O)C3=C1[C@H](O)[C@@H](O)[C@](C3)(O)C)C(O)=C(OC)C=C2O
Compound: Divergolide J
SMILES: O=C1O[C@@H](C=C(C)C)[C@@H](O)C=C[C@@H](CCC(C=2C=3C(C=4[C@]1(CCC(=O)NC4C(=O)C3C=C(C)C2O)C)=O)=O)CC
Compound: 1-epi-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: (E)-2-pentadecylheptadec-2-enal
SMILES: O=C/C(=C/CCCCCCCCCCCCCC)/CCCCCCCCCCCCCCC
Compound: Ganoleucoin U
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@@]3(CO)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)[C@@H](C[C@H](O)/C=C(/C(=O)O)\C)C)C
Compound: Emericelactone D
SMILES: O=C1O[C@H]2C(C)(C)C([C@@]1([C@@]2(/C=C/C=C/C=C(\[C@@H]3[C@H](C(=O)[C@]([C@H]3C)(O)C)C)/C)C)C)=O
Compound: Xylaric acid C
SMILES: O=C(O)/C(=C/[C@H]1[C@H](C(=O)OC)[C@@](O)(CC[C@@H]1C(C)C)COC)/CO
Compound: Divergolide K
SMILES: O=C1O[C@H]([C@@H](O)C=C[C@@H](CCC(C=2C=3C(C=4[C@]1(CCC(=O)NC4C(=O)C3C=C(C)C2O)C)=O)=O)CC)CC(O)(C)C
Compound: FE35A
SMILES: O=C1OC=2C=3C(C(OC)=CC2C4=C1C=C(C=C)C=C4OC)=C(O)C=CC3C5OC(C(O)C(C5O)N(C(=O)C)C)C
Compound: Desferrioxamine P1
SMILES: O=C1N(O)CC(=O)NCCNC(=O)CCC(=O)N(O)CCCCCNC(CCC(N(CCCCCNC(CC1)=O)O)=O)=O
Compound: Ganoleucoin V
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@@]3(CO)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1O)C)C(C(O)CC=C(C(=O)O)C)C)C
Compound: Hypocrellutin A
SMILES: O=C1N(O)C=CC2=C1[C@@H]3[C@H](C[C@H](C)C[C@@](O2)(C)[C@@H]3C)C
Compound: (E)-N-acetyl-MY336-A
SMILES: O=C(N1[C@H](C2=C(C=C(C)C(=C2C)OC)C[C@H]1CO)CO)C
Compound: [2-amino-1-(2-methyloxiran-2-yl)-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate
SMILES: O=C(OC(C(=O)N)C1(OC1)C)C=2C=3C(=C(C=CC3)C)C=C(C2)OC
Compound: 8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol
SMILES: OC1C=C(CCC2=C(CCC(CC=C(C1)CO)C2(C)C)C)C
Compound: Phomamide
SMILES: O=C1N[C@H](C(=O)N[C@H]1CO)CC2=CC=C(OCC=C(C)C)C=C2
Compound: Ganoleucoin W
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@H]([C@@]3(CO)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1O)C)[C@@H](CCC=C(C(=O)O)C)C)C
Compound: Hypocrellutin B
SMILES: O=C1NC=CC2=C1[C@@H]3[C@H](C[C@H](C)C[C@@](O2)(C)[C@@H]3C)C
Compound: 2,3-dihydro-5,8-dihydroxy-2,2-dimethylchromen-4-one
SMILES: O=C1C2=C(OC(C1)(C)C)C(O)=CC=C2O
Compound: 2-methylfervenulone
SMILES: O=C1N=C2C(=O)N(C(=O)N(C2=NN1C)C)C
Compound: Guignardone D
SMILES: O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(=C)C)C)[C@@H](OC)C[C@@H]1O
Compound: Agropyrenol
SMILES: O=CC1=C(O)C=CC=C1C=C[C@@H](O)[C@H](O)C
Compound: Hypocrellutin C
SMILES: O=C1C2=C(O[C@]3(C[C@H](C[C@@H]([C@@H]2[C@H]3C)C)C)C)NC=C1
Compound: Ganoleucoin X
SMILES: O=C1C2=C([C@]3(CCC(C([C@@H]3C1)(C)C)=O)C)[C@H](O)C[C@]4([C@]2(CC[C@@H]4[C@@H](CCC(O)C(O)(CO)C)C)C)C
Compound: Pestalpolyol I
SMILES: O=C/C(=C/[C@H]([C@@H](O)/C=C/[C@H]([C@@H](O)/C(=C/[C@H]([C@@H](O)/C(=C/[C@H](CO)C[C@@H](CC)C)/C)C)/C)C)C)/C
Compound: Alterporriol O
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1[C@H]([C@@H](O)[C@]([C@@H]3O)(O)C)[C@@H]4C=5C(=O)C6=C(O)C=C(OC)C=C6C(C5[C@@H](O)[C@@]([C@@H]4O)(O)C)=O
Compound: Diaporthichalasin
SMILES: O=C1N[C@@](O)(CC2=CC=C(O)C=C2)[C@H]3[C@@]14C(=O)[C@@H]5[C@@H]6[C@@](C[C@@H](C)CC6)(C)C=C([C@@H]5[C@@]4(C=C(C)[C@@H]3C)C)C
Compound: Colletotrichumine A
SMILES: O=C/1NC=2C=CC=CC2\C1=C/C3=NC(=C(C)N=C3C)C
Compound: Hypoxylide
SMILES: O=C1O[C@@H](CCC[C@@H]2C[C@](C1)(O)[C@@H]3C(=O)C4=C(O)C=C(O)C=C4[C@]2(C3=O)O)C
Compound: Ganoleucoin Y
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H]([C@@]3(COC(=O)C[C@@](O)(CC(=O)O)C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1O)C)[C@@H](CCC=C(C(=O)O)C)C)C
Compound: Norpestaphthalide A
SMILES: O=C1O[C@H]([C@@H](O)C)C=2C1=C(O)C=C(O)C2
Compound: Decaspirone F
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14C=C[C@H](O)[C@H]5[C@H]4[C@H](O)C=C[C@@H]5O
Compound: Mycoediketopiperazine
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@H]5O[C@H]5[C@H](C4)O)[C@@H]6[C@H]7O[C@H]7[C@H](C=C6C2)O)C
Compound: Isochromophilone VI
SMILES: ClC1=C2C(C(=O)[C@](C1=O)(OC(=O)C)C)=CN(CCO)C(=C2)/C=C/C(=C/[C@H](CC)C)/C
Compound: Flavichalasine N
SMILES: O=C1[C@@H](O)CC(=O)O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H]1O)C)C)CC(C)C
Compound: 5-(3-hydroxybutan-2-yl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
SMILES: O=C1C(OC)=C(OC)C(=O)C=C1C(C(O)C)C
Compound: Ganoleucoin Z
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H]([C@@]3(COC(=O)C[C@@](O)(CC(=O)O)C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)[C@@H](CCC=C(C(=O)O)C)C)C
Compound: Adametizine A
SMILES: Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34SS[C@@H](C5=C(O)C(OC)=C(OC)C=C5)[C@H](C(N3O2)=O)N(C4=O)C
Compound: Phomactin J
SMILES: O=C1C2=C[C@H](O)[C@@H](C)[C@@]([C@]2(O)C)(CC[C@@]3(C)[C@H](CC[C@@]4([C@@H]1O4)C)O3)C
Compound: Pyrenocine K
SMILES: O=C1OC2=C(CO[C@H](C2)CC(=O)C)C(=C1)OC
Compound: Flavichalasine O
SMILES: O=C1[C@@H](O)CNO[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H]1O)C)C)CC(C)C
Compound: 11(R)-hydroxymonocerin
SMILES: O=C1O[C@@H]2[C@@H](O[C@@H](C2)[C@H](O)CC)C=3C1=C(O)C(OC)=C(OC)C3
Compound: Terrusnolide A
SMILES: O=C(CC1=CC(=C(O)C=C1)CC=C(C)C)CC2=CC=C(O)C=C2
Compound: Cinnabaramide A
SMILES: O=C1N[C@]2(C(=O)O[C@]2([C@H]1CCCCCC)C)[C@@H](O)[C@@H]3C=CCCC3
Compound: Isopenicillide
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)[C@@H](O)CC(O)(C)C
Compound: Trefoliol B
SMILES: O[C@@]12[C@@H](C=C(C)CC1)[C@@H]([C@@H](O)C[C@H]2C)C(C)C
Compound: Sterin A
SMILES: O1C2=C(C=C(OC3OC(CO)C(C3O)O)C=C2)C=CC1(C)C
Compound: MC-WL
SMILES: O=C1N[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CC(C)C)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CC=3C4=C(C=CC=C4)NC3)C
Compound: Terrusnolide B
SMILES: O=C1O[C@@H](OC)C(=C1C2=CC=C(O)C=C2)CC3=CC4=C(OC(C)(C)C(C4)O)C=C3
Compound: Phlebiachrysoic acid E
SMILES: O=C1C(OC)=CC(=O)C(=C1CCCCCCCCCCCCCC/C=C/C(=O)O)O
Compound: Trefoliol C
SMILES: O=C1[C@]2(C(=C(CO)CC2)[C@@H]3[C@H]1CC(C)(C)C3)C
Compound: Versixanthone A
SMILES: O=C1C2=C(O)C(C3=C4O[C@@]5(C(C(=O)C[C@@H]([C@H]5O)C)=C(C4=C(O)C=C3)O)C(=O)OC)=CC=C2O[C@](C1)(C(=O)OC)[C@@H]6OC(=O)C[C@@H]6C
Compound: Frenolicin D
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@]3([C@]1(O)[C@H](O[C@@H](C3)CC(=O)O)CCC)O
Compound: Nannozinone B
SMILES: O=C1NC(=C(C(=O)C)N2C1=CC=C2)CC3=CC=CC=C3
Compound: Terrusnolide C
SMILES: O=C1O[C@@H](OC)C(=C1C2=CC=C(OC)C=C2)CC3=CC4=C(OC(C)(C)C(C4)O)C=C3
Compound: Dahliane A
SMILES: O1[C@H]2C=3[C@](CC[C@]4([C@@H]2[C@H](O)[C@H](O)[C@@H]4C(C)C)C)(CC[C@@H](C3C1)O)C
Compound: 12-keto-10,11-dehydrocurvularin
SMILES: O=C1C2=C(O)C=C(O)C=C2CC(=O)O[C@@H](C)CCC(C=C1)=O
Compound: Cyanopeptolin 954
SMILES: ClC1=C(O)C=CC(=C1)C[C@@H]2N(C(=O)[C@H](N3C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC([C@H]([C@@H](OC([C@@H](NC2=O)C(C)C)=O)C)NC(=O)[C@@H](NC(=O)C)CCC(=O)N)=O)CC[C@H]3O)CC4=CC=CC=C4)C
Compound: Tanzawaic acid J
SMILES: O=C(O)/C=C/C=C/[C@@]1(O)C(=C[C@H](O)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C
Compound: (4R)-2,4-dimethyl-5-oxo-2,5-dihydrofuran-3-carboxylic acid
SMILES: O=C1O[C@H](C)C(=C1C)C(=O)O
Compound: Terrusnolide D
SMILES: O=C1O[C@@H](OC)C(=C1C2=CC=C(O)C=C2)CC3=CC4=C(OC(C4)C(O)(C)C)C=C3
Compound: Dahliane B
SMILES: O1[C@H]2C=3[C@](CC[C@]4([C@@H]2[C@H](O)[C@H](O)[C@@H]4C(CO)C)C)(CC[C@@H](C3C1)O)C
Compound: Calbistrin G
SMILES: O=C(O[C@@H]1[C@@H]2[C@@](C(=O)C(O)CO)([C@H](C=C[C@H]2C[C@H](C1)C)C)C)[C@H]([C@@H](O)/C(=C/C=C/[C@H](O)[C@H](O)C)/C)C
Compound: Curtisin
SMILES: [S@](=O)(C=1C=2NC=C(O)C=3C2N(C4=CC(=O)C=CC34)C(C1)=O)C
Compound: Pysarone A
SMILES: O=C1O[C@H]([C@@H](O)C2=C1[C@@H]3[C@@H](C(=O)CC3)[C@H]2OC)C
Compound: Preubetaomerin M
SMILES: O=C1C2=C(O)C=CC3=C2[C@@]4(OC=5C=CC=C6C5[C@@](O3)([C@H](OC)CC6=O)O4)[C@@H](C1)O
Compound: Pestalotiopene C
SMILES: Cl[C@@H]1C([C@@]2(O)[C@]([C@@H](C(=O)O)[C@@](OCC3=C(O)C(=C4[C@@H](OC)OC(C4=C3OC)=O)C=O)(C)CC2)(C)CC1)(C)C
Compound: Reveromycin B
SMILES: O=C(O)/C=C(/C=C/[C@H](OC(=O)CCC(=O)O)[C@@]1(OC2(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)CCCC)\C
Compound: (-)-phenylethyl-8-O-alpha-L-rhamnopyranoside
SMILES: O1[C@@H](OCCC2=CC=CC=C2)[C@H](O)[C@H](O)[C@H]([C@@H]1C)O
Compound: Dahliane C
SMILES: O=C1C(=C2C=C3[C@]([C@@H](C(C)C)[C@@H]([C@H]3O)O)(C)CC[C@]2(C)CC1)CO
Compound: 3-demethoxylfusarnaphthoquinone B
SMILES: O=C1C2=C(O)C(=C3C=C(OC3=C2[C@H](O)CC1)C)C
Compound: (6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-one
SMILES: O=C1O[C@@H]2[C@@H](O)[C@](O)(C)CCC2C1C
Compound: Cephalanone E
SMILES: O=C1C2=C(OC(C3=C1C=CC=C3OC=C[C@H](C(=O)O)C)OC)C=C(C)C=C2O
Compound: Indocarbazostatin D
SMILES: O=C1NC(=O)C=2C1=C3C=4N([C@]5(O[C@@H](N6C4C2C7=C6C=CC=C7)C[C@@]5(O)C(=O)OC)C)C=8C3=C(N)C(O)=CC8
Compound: Dahliane D
SMILES: O=C1C(=C2C=C3[C@]([C@@H](C(CO)C)[C@@H]([C@H]3O)O)(C)CC[C@]2(C)CC1)CO
Compound: (2S,3S,4S)-8-dehydroxy-8-methoxyldihydronaphthalenone
SMILES: O=C1C2=C(OC)C=C(OC)C(=C2[C@@H]3[C@H]([C@H]1CO3)CC(=O)C)O
Compound: Niphimycin Ia
SMILES: O=C1O[C@@H]([C@H](C=CC=C[C@@H](O)[C@H]([C@H](O)C[C@@H](O)C[C@H](OC(=O)CC(=O)O)C[C@H]2O[C@](C[C@H]([C@H](CC[C@@H]([C@H]([C@H](C[C@H]([C@H](C=C[C@H]([C@H]1C)O)C)O)O)C)O)C)O)(O)[C@H](O)[C@H](C2)O)C)C)[C@H](C[C@H](CCC/C=C/CCCNC(=NC)N)C)C
Compound: Sphestrin
SMILES: O=C(OCC/C(=C/C=C/C(CCCC(CCCO)C)C)/C)C=1C2=C(C=CC=C2)NC1CO
Compound: Wortmannilactone G
SMILES: O=C1OC([C@H](C(=O)OC)C)[C@@]([C@H]1C)(/C=C/C=C/C=C/C=C(/[C@@H]2O[C@H](C(C)=C[C@]2(O)C)C)\C)C
Compound: Parmoether B
SMILES: O=C(OC)C1=C(O)C(=C(O)C(=C1C)CC2=C(O)C(OC3=C(C(=CC(=C3C=O)O)C)C(=O)OC)=C(C)C=C2O)C=O
Compound: N(2)-methylguanine
SMILES: O=C1N=C(NC=2NC=NC21)NC
Compound: Gypseatriol
SMILES: OC([C@H](O)[C@@H](O)C[C@@H](C1=CC=C(C)C=C1)C)(C)C
Compound: Eurobenzophenone C
SMILES: O=C(O)C1=C(C(O)=CC(=C1)O)C(=O)C2=C(O)C=C(C)C=C2O
Compound: 19-O-malonylniphimycin
SMILES: O=C1O[C@@H]([C@H](C=CC=C[C@@H](O)[C@H]([C@H](O)C[C@@H](O)C[C@H](OC(=O)CC(=O)O)C[C@H]2O[C@](C[C@H]([C@H](CC[C@@H]([C@H]([C@H](C[C@H]([C@H](C=C[C@H]([C@H]1C)O)C)O)O)C)O)C)O)(O)[C@H](O)[C@H](C2)OC(=O)CC(=O)O)C)C)[C@H](C[C@H](CCC/C=C/CCCNC(=NC)N)C)C
Compound: Homorapamycin B
SMILES: O=C1N2[C@H](C(=O)O[C@@H](C(CC3C[C@@H](OC)[C@H](O)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@@H]4O[C@](C1=O)(O)[C@@H](CC4)C)OC)C)CC)C)C)CCCC2
Compound: Xanthoquinodin B2
SMILES: O=C1C2=C(C(O)=C3[C@]14C=C[C@H](C3=O)C5=C(C4)C=C6O[C@]7(C(=O)OC)[C@@H](O)CCC(C7=C(C6=C5O)O)=O)C(O)=CC(=C2)C
Compound: Eurobenzophenone A
SMILES: O=C(OC[C@H](O)CO)C1=C(O)C(=C(O)C=C1C)C(=O)C2=C(O)C=C(O)C=C2C(=O)O
Compound: Chaetothyrin A
SMILES: O=C1OC[C@H]2C1=C(OC)[C@H](O)[C@H]3C(CCC[C@]23C)(C)C
Compound: Curvulamine
SMILES: O1[C@@]2(C=CC3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@H]24)C)C)[C@@H](O)C
Compound: Trichosorbicillin I
SMILES: OC1=C(C=C(C)C(=C1)O)CCC/C=C/C
Compound: Ustilipid E1
SMILES: O=C(O[C@@H]1[C@H](OC(=O)CC)[C@@H](O[C@@H]([C@H]1OC(=O)C)COC(=O)C)OC[C@@H](O)[C@@H](O)CO)CCCCCCCCCCCCCCC
Compound: Eurobenzophenone B
SMILES: O=C(OC[C@H](O)CO)C1=C(O)C(=C(O)C=C1C)C(=O)C2=C(O)C=C(O)C=C2C(=O)OC
Compound: Acarviostatin II23
SMILES: O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@@H]([C@@H](O[C@H]2O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](N[C@H]5O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@@H](O[C@H]7O[C@@H]([C@@H](N[C@H]8O[C@@H]([C@@H](O[C@H]9O[C@@H]([C@@H](O[C@H]%10O[C@@H]([C@@H](O)[C@@H]([C@H]%10O)O)CO)[C@@H]([C@H]9O)O)CO)[C@@H]([C@H]8O)O)CO)[C@@H]([C@H]7O)O)C)[C@@H]([C@H]6O)O)CO)[C@@H]([C@H]5O)O)CO)[C@@H]([C@H]4O)O)C)[C@@H]([C@H]3O)O)CO)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO)[C@H](O)CO
Compound: 11-Keto-9(E),12(E)-octadecadienoic acid
SMILES: O=C(/C=C/CCCCCCCC(=O)O)/C=C/CCCCC
Compound: Chaetothyrin B
SMILES: O=C1[C@]2(O)C(=O)OC[C@@H]2[C@]3(CCCC([C@@H]3C1)(C)C)C
Compound: Pleosporalone D
SMILES: O=C1C=2C(C=C(C=3C(=O)CCCC3C)OC2)=CC([C@@]1(OC(=O)[C@H]([C@@H](OC(=O)C)/C(=C/C)/C)C)C)=O
Compound: Flavicerebroside A
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCC)\C)CO[C@@H]1OC([C@H](O)C(C1O)O)CO)[C@H](O)CCCCCCCCCCCCCCCC
Compound: Euroanthone A
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC(=C3C(=O)OC[C@H](O)CO)C)C=C(O)C=C2O
Compound: Delitpyrone B
SMILES: O=C1OC(=C([C@@H](O)[C@@H](O)CC)C(=C1)OC)C
Compound: Chaetothyrin C
SMILES: O=C1C=2C(=O)OCC2[C@]3(CCCC([C@@H]3C1)(C)C)C
Compound: Stereumin G
SMILES: O1[C@@]2(O)[C@](O)([C@H]3C=C(CC[C@@H]3[C@H](C2)C)C)C(C1)=C
Compound: Iso-notoamide B
SMILES: O=C1N2[C@@]3(C(=O)N[C@@]14[C@H](C(C)(C)[C@]5(C4)C(=O)NC6=C5C=C7C=CC(OC7=C6)(C)C)C3)CCC2
Compound: 3-hydroxy-1-keto-3-methyl-8-methoxy-1,2,3, 4-tetrahydro-benz[alpha]anthracene
SMILES: O=C1C=2C=3C(=CC4=C(OC)C=CC=C4C3)C=CC2C[C@@](C1)(O)C
Compound: Euroanthone B
SMILES: O=C1C2=C(OC3=C1C(C(=O)O)=CC(=C3C(=O)OC[C@H](O)CO)C)C=C(O)C=C2O
Compound: Gilvsin B
SMILES: O=C(O)[C@@]1([C@@H](O)CC[C@]2([C@H]1CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@@H]([C@H](O)CC(=C)C(C)C)C)C)C)C)C
Compound: Fiscalin F
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: 3′-hydroxydelitpyrone D
SMILES: O=C1OC(=C(CC(=O)[C@@H](O)C)C(=C1)OC)C
Compound: Epiroridin acid
SMILES: O=C1OC[C@@]23[C@@]4([C@@]5(OC5)[C@H](O[C@@H]2C=C(C(=O)O)CC3)C[C@@H]4OC(=O)C=CC=C[C@@H](OCCC(=C1)C)[C@@H](O)C)C
Compound: (+)1-O-demethylvariecolorquinone A
SMILES: O=C1C2=C(O)C(=C(C)C=C2C(=O)C=3C1=C(O)C=C(O)C3)C(=O)OC[C@H](O)CO
Compound: Asperic acid
SMILES: O=C(O)C(CC(/C=C(/[C@H]1O[C@@](C(O)C)(C)CC1)\C)C)C
Compound: 6,8a-Seco-6,8a-deoxy avermectin A1a aglycone
SMILES: O=C1OC2CC3(OC(C(C)C=C3)C(CC)C)OC(C2)CC=C(C(O)C(C=CC=C(C4(C1C=C(C(OC)C4)C)O)C)C)C
Compound: (E,13S)-13-hydroxyoctadec-11-en-9-ynoic acid
SMILES: O=C(O)CCCCCCCC#C/C=C/[C@@H](O)CCCCC
Compound: Fontizine A
SMILES: O=C(/C=C/C=1C2=NC=3C(=C(C=CC3)CO)N=C2C=CC1)C
Compound: Pseudoverticin B
SMILES: O=C1NC2=C(O)C(=C3OOC(OCC3=C2)(C)C)C[C@@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C
Compound: Isopropylchaetominine
SMILES: O=C1N(C=NC2=C1C=CC=C2)[C@H]3C(=O)N4[C@H]5N(C([C@@H]4CC(C)C)=O)C6=C([C@]5(C3)O)C=CC=C6
Compound: Endophenazine A
SMILES: O=C(O)C=1C2=NC=3C(=CC=CC3CC=C(C)C)N=C2C=CC1
Compound: Geopyxin C
SMILES: O=C1[C@@]2([C@@H]([C@@](C(=O)O)(C)CC1)C[C@H](O)[C@]34[C@H]2CC[C@H](C3)C(C4=O)=C)C
Compound: 3S*,4S*-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydronaphthalen-1(2H)-one
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@H](O)[C@H](C1)OC)CC
Compound: (+)-variecolortin A
SMILES: O=C/1N2[C@@]3(C(=O)C(OC)=CC(C3)=O)[C@@H]4C=5C(=C(O)C=C(C5O[C@@]2(C(=O)N\C1=C/C=6C7=C(C=CC=C7)NC6C(C=C)(C)C)C4)C)C(=O)OC
Compound: Asterriquinol E
SMILES: O(C1=C(OC)C(=C(O)C(=C1C=2C3=C(C=CC=C3)NC2)OC)C=4C5=C(C=CC=C5)NC4)C
Compound: Isoterrelumamide A
SMILES: O=C1N(C(=O)C=2N=C(C(=O)N[C@H](C(=O)NC3=C(C(=O)OC)C=CC=C3)[C@H](O)C)C=NC2N1)C
Compound: LL-BMgamma2
SMILES: O=C1O[C@@H]2CO[C@H]([C@@H]([C@H]2N1)NC(=O)N)O[C@H]3[C@H](O)[C@@H](NC(=O)N)[C@@H](NC(=O)N[C@H]4[C@H](O)[C@@H](N=C(N)N)[C@@H](OC5=CC=C(/C=C/C(=O)NCCCNCCCCN)C=C5)O[C@@H]4C)OC3
Compound: Tricycloalternarene B
SMILES: O=C1C2=C(O[C@]3(CC=C([C@H]3C2)C(CC/C=C(/COC(=O)C)\C)C)C)CC[C@@H]1O
Compound: Asterriquinol F
SMILES: O1C2=C(OC)C(=C(OC)C(=C2[C@@]3([C@@H]1NC=4C=CC=CC34)O)OC)C=5C6=C(C=CC=C6)NC5
Compound: Auxarconjugatin D
SMILES: O=C1OC(=CC(=C1)OC)/C=C/C=C/C=C/C=C/C=2NC=CC2
Compound: (+)-variecolortin B
SMILES: O=C/1N[C@]2(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)C5=C6C(C(=O)C=7C(O)=CC(=CC7[C@]6(O)CC2)OC)=C(O)C=C5C
Compound: 5'-epi-averufanin
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@H]4O[C@@H](CCC4)C
Compound: Shengjimycin A2beta
SMILES: O=C1O[C@@H](CC=CC=CC(OC2OC(C(N(C)C)CC2)C)[C@@H](C[C@@H]([C@@H]([C@H](C(C1)OC(=O)CC)OC)OC3OC(C(OC4OC(C(OC(=O)C(C)C)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: Lindgomycin
SMILES: O=C1NC(CC2=CC=CC=C2)C(C1=C(O)[C@]3([C@H](C(=C[C@@H]4[C@@H]3CC[C@@H](C4)C)C)C(=CC(=O)O)C)C)=O
Compound: Exopisiod B
SMILES: O=C(O)C=1C2=C(C3=C(O[C@@](CO)(C)C=C3)C=C2)NC1
Compound: Asperimide A
SMILES: O=C1NC(=O)C(=C1C2=CC=C(O)C=C2)CC3=CC(=C(O)C=C3)CC=C(C)C
Compound: (-)-variecolortin C
SMILES: O=C/1N[C@]2(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)C5=C(OC)C=C(O)C6=C5[C@](O)(C=7C=C(C)C=C(C7C6=O)O)CC2
Compound: Cytosporone K
SMILES: O=C1OC(C=2C(O)=CC(=CC2C1)O)CCCCCC(OC(=O)C)C
Compound: Albicidin
SMILES: O=C(O)C1=C(O)C(OC)=C(NC(=O)C2=C(O)C(OC)=C(NC(=O)C3=CC=C(NC(=O)[C@@H](NC(=O)C4=CC=C(NC(=O)/C(=C/C5=CC=C(O)C=C5)/C)C=C4)CC#N)C=C3)C=C2)C=C1
Compound: Farylhydrazone C
SMILES: O=C(O)C1=C(N/N=C(\C(=O)C)/C)C=CC=C1
Compound: Glisoprenin C
SMILES: O1C(CC/C=C(/CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC(O)C(O)(C)C)C)C)C)C)\C)\C)(C)C1CC/C(=C/CO)/C
Compound: Asperimide B
SMILES: O=C1NC(=O)C(=C1C2=CC=C(O)C=C2)CC3=CC4=C(OC(C)(C)C=C4)C=C3
Compound: Delitpyrone C
SMILES: O=C1OC(/C(=C\[C@@H](O)CC)/C(=C1)OC)=C
Compound: 23-hydroxyundecylprodiginine
SMILES: O(C=1/C(/N=C(C1)C=2NC=CC2)=C\C=3NC(CCCCCCCCC[C@@H](O)C)=CC3)C
Compound: (2E)-11-(4-aminophenyl)-5,9-dihydroxy-4,6,8-trimethyl-11-oxo-undec-2-enoic acid
SMILES: O=C(O)/C=C/C(C(O)C(CC(C(O)CC(=O)C1=CC=C(N)C=C1)C)C)C
Compound: Aspergillusic acid
SMILES: O=C(O)C1=CC(C#CC(=C)C)=C(OC)C=C1
Compound: Amaurosubresin
SMILES: O=C(OC)/C(=C\C(=O)C1=C(O)C=CC(=C1)O)/CC/C=C(/CCC=C(CO)CO)\C
Compound: Asperimide C
SMILES: O=C1NC(=O)C(=C1C2=CC=C(O)C=C2)CC3=CC4=C(OC(C)(C)[C@H](C4)O)C=C3
Compound: Leucinostatin
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)NCCC(=O)N[C@H](CN(C)C)C)(C)C)(C)C)CC(C)C)CC(C)C)(C)C)[C@H](O)C(C)C)C[C@@H](CC(O)CC(=O)CC)C)C[C@@H](C1)C)/C=C/[C@@H](CC)C
Compound: Erythro(23,24)-5alpha,6alpha-epoxyergosta-8-ene-7-one-3beta,23-diol
SMILES: O=C1C2=C([C@]3(CC[C@@H](C[C@@]43[C@H]1O4)O)C)CC[C@]5(C2CC[C@@H]5[C@@H](C[C@@H](O)[C@@H](C(C)C)C)C)C
Compound: Orinocin
SMILES: O=[N+]([O-])C1=CC=C(/C=C/2\CO[C@H](C2)C=3OC(OC)=C(C)C(C3C)=O)C=C1
Compound: 23-ketoundecylprodiginine
SMILES: O=C(CCCCCCCCCC=1NC(/C=C\2/N=C(C=3NC=CC3)C=C2OC)=CC1)C
Compound: Asperimide D
SMILES: O=C1NC(=O)C(=C1C2=CC=C(O)C=C2)CC3=CC4=C(O[C@H](C4)C(O)(C)C)C=C3
Compound: Delitpyrone A
SMILES: O=C1OC(=C([C@@H](O)CCC)C(=C1)OC)C
Compound: JBIR-15
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCC[C@@H]1NC(=O)/C=C/C=C/C=C/C)C)C(C)C)C
Compound: Rel-(1S,2S,3S)-2,8-dihydroxy-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-xanthen-9(2H)-one
SMILES: O=C1C2=C(OC3=C1[C@@H]([C@@H](O)[C@H](C3)C)C)C=C(OC)C=C2O
Compound: Premarineosin A
SMILES: O1[C@]2(N=C(C=3NC=CC3)C=C2OC)[C@@H]4C=5NC(CCCCCCC[C@H]4C[C@@H]1C)=CC5
Compound: Lodopyridone
SMILES: ClC1=CC=2C(=NC(C=3SC=C(N3)C=4N(C(=C(SC)C(C4OC)=O)C(=O)NCCO)C)=CC2)C=C1
Compound: Emericellin B
SMILES: O[C@]1([C@H]2[C@]3([C@@](C)(CC1)[C@@](C2)(C[C@@H](C3)O)C)C)CO
Compound: (2′-oxodelitpyrone A
SMILES: O=C1OC(=C([C@@H](O)C(=O)CC)C(=C1)OC)C
Compound: Anthcolorin F
SMILES: O=C1N(C=2C=CC=CC2[C@@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@@]([C@@H](O)CC4)(CC[C@H](O)C(O)(C)C)C)CC3)C)C(C=C)(C)C
Compound: Emericellin A
SMILES: O[C@]1([C@H]2[C@]3([C@@](C)(CC1)[C@@](C2)(CCC3)C)C)CO
Compound: Bacillcoumacin A
SMILES: O=C1O[C@H]([C@@H](NC(=O)CO)CC(C)C)CC=2C1=C(O)C=CC2
Compound: Erinaceolactone D
SMILES: O=C1OCC2=C1C=C(OC)C(=C2O)C/C=C(/C[C@H](O)/C=C(/C(=O)O)\C)\C
Compound: 16-ketopremarineosin A
SMILES: O=C1CCC=2NC([C@H]3C4(O[C@H](C[C@@H]3CCCC1)C)N=C(C=5NC=CC5)C=C4OC)=CC2
Compound: 1′,2′-epoxi-delitpyrone A
SMILES: O=C1OC(=C([C@H]2O[C@@H]2CC)C(=C1)OC)C
Compound: N(3')-acetylgentamycin
SMILES: O([C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CO)[C@@H](N)C[C@H]1N)[C@@H]3OC[C@](O)([C@@H](NC(=O)C)[C@@H]3O)[H]
Compound: 15-O-Acetylganolucidate A
SMILES: O=C1C2=C([C@@]3([C@@H](OC(=O)C)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)CC(C(=O)O)C)C)C)CC[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: Cordyol A
SMILES: O1[C@@H](OC2=CC(OC3=CC(O)=CC(=C3)C)=CC(=C2)C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)OC
Compound: Aspergilate A
SMILES: O=C(OC)C(OC)CC(OCC(C(=O)OC)C)C1=C(O)C(C(=O)C)=CC=C1O
Compound: Erinaceolactone E
SMILES: O=C1OCC2=C1C=C(OC)C(=C2O)C/C=C(/C[C@H](OC)/C=C(/C(=O)O)\C)\C
Compound: Cochliomycin E
SMILES: O=C1O[C@H](CC=CC(=O)[C@H](O)[C@H](CC=CC=2C1=C(O)C=C(OC)C2)O)C
Compound: Delitpyrone D
SMILES: O=C1OC(=C(CC(=O)CC)C(=C1)OC)C
Compound: Astraeusin J
SMILES: O1[C@H](OC)C(=CC[C@H]1[C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC4)C)CC3)(C)CC2)C)C)C
Compound: (-)-nonactic acid
SMILES: O=C(O)[C@@H]([C@@H]1O[C@H](C[C@@H](O)C)CC1)C
Compound: Aspergilate B
SMILES: O=C(OC)[C@H](OC)C[C@@H](OCC)C1=C(O)C(C(=O)C)=CC=C1O
Compound: Erinaceolactone F
SMILES: O=C1OCC2=C1C=C(OC)C(=C2O)CCO
Compound: Chartarlactam I
SMILES: O=C1NCC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@@H](O)[C@@H](C5)O)(C)C)CC[C@H]4C)C)C3
Compound: 3beta-(2-methoxyoxalyloxy)-15alpha-ahydroxy-24-methylene-5alpha-lanost-8-en-21-oic acid
SMILES: O=C(O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)C[C@@H]4O)(C)CC3)C)CC2)(C)CC1)(C)C)C(=O)OC
Compound: Actinoallolide D
SMILES: O=C1O[C@@H]([C@@H]([C@H](O)[C@@H](CC(=C[C@@H]([C@@H](O)[C@@H]([C@@H](O)CC)C)C)C)C)C)CC=C(C)CC2(OC(C1)=C(C2=O)CC)C
Compound: Tundrenone
SMILES: O=C1C(O)=C2C=C[C@H]([C@@H]([C@@H]2C1)OC(C(=O)OCC(=C)C(O)C(=O)CCCCC)=C)O
Compound: Aspergilate C
SMILES: O=C(OCC)[C@H](OC)C[C@H](OC)C1=C(O)C(C(=O)C)=CC=C1O
Compound: Eutypellol A
SMILES: OCCC[C@@]1([C@H]2C=C(C)CC[C@@H]12)C
Compound: Chartarlactam J
SMILES: O=C1NCC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)[C@H](C5)O)(C)C)CC[C@H]4C)C)C3
Compound: (+)-peniphenone A
SMILES: O=C1[C@@H]([C@]2(OC3=C(C(O)=C(C(=O)C)C=C3C)C[C@@H]2C)O[C@H](C1)C)C
Compound: 2-[methyl-(3-phenylpropionyl)lamino]-benzoic acid
SMILES: O=C(O)C1=C(N(C(=O)CCC2=CC=CC=C2)C)C=CC=C1
Compound: Eutypellol B
SMILES: OC[C@@]1([C@H]2C=C(C)CC[C@@H]12)C
Compound: (3R,4S,5R)-5-[3-[(3R,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]butyl]-3,4-dihydroxyoxolan-2-one
SMILES: O=C1O[C@H](CCC([C@@H]2C3[C@]([C@@H]4[C@@]([C@]5([C@@H]([C@@]6([C@H](C(CCC6)(C)C)CC5)C)CC4)C)(C)CC3)(C)CC2)C)[C@H]([C@H]1O)O
Compound: Aspergilate D
SMILES: O=C(OC)[C@H](O)C[C@H](OC)C1=C(O)C(C(=O)C)=CC=C1O
Compound: Homodimericin A
SMILES: O=C1C(=C(O)C(=O)[C@@]23[C@@]14C=5C(=O)C[C@@]46C(=O)C(O)=C(C)C([C@H]6[C@@H]2[C@@](O)(/C=C/C=C/C)[C@H](C5)[C@@H]3C)=O)C
Compound: Chartarlactam P
SMILES: O=C1NCC=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
Compound: Bisacremine D
SMILES: O1[C@](C=CC2=CC=C(C)C=C2)(CC[C@@]1(C=CC3=C[C@H](O)[C@@](O)(C)C[C@@H]3O)C)C
Compound: 2-(2-hydroxy-4-methylcyclohex-3-enyl)propanoic acid
SMILES: O=C(O)[C@H]([C@H]1[C@@H](O)C=C(C)CC1)C
Compound: 13-deoxyaustalide Q acid
SMILES: O=C1OCC=2C1=C(OC)C3=C(O[C@]4(CC[C@H]([C@@]([C@H]4C3)(CCC(=O)O)C)C(=C)C)C)C2C
Compound: Aspergilate E
SMILES: O=C(OC)[C@H](OC)C[C@@H](O)C1=C(O)C(C(=O)C)=CC=C1O
Compound: Rhamnosyllactone B2
SMILES: O=C1/C(=C(\O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)/C=C/C)/C(CO)OC1
Compound: Enduracidin A
SMILES: ClC1=C(O)C(Cl)=CC(=C1)C2NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(C(NC(C(NC(C(C(OC(C(NC(C(NC(C(NC(CNC2=O)=O)CC3NC(N)=NC3)=O)C)=O)C4=CC=C(O)C=C4)=O)C)NC(=O)C(NC(=O)/C=C/C=C/CCCCC(CC)C)CC(=O)O)=O)C5=CC=C(O)C=C5)=O)CCCN)=O)C6=CC=C(O)C=C6)C7=CC=C(O)C=C7)C(O)C)CCCNC(=O)N)CC8NC(N)=NC8)C9=CC=C(O)C=C9)CO
Compound: 5′-formyl-2′-hydroxyl-4′-methoxy-(E,E)-sorbophenone
SMILES: O=C(C1=C(O)C=C(OC)C(=C1)C=O)/C=C/C=C/C
Compound: Cralactone A
SMILES: O=C1OC2=C(C=C(C)C(=C2)OC)[C@H]([C@@H]1[C@]3(O)C(=O)O[C@H](C3)C)C
Compound: 17-O-demethylaustalide B
SMILES: O=C1OCC=2C1=C(OC)C3=C(O[C@]4(C[C@@H](O)[C@@]56[C@@]([C@H]4C3)(CC[C@](O5)(O)OC6(C)C)C)C)C2C
Compound: Phomoxanthone F
SMILES: O=C1C(O)=C(OC2=C1C(O)=CC=C2)[C@H]3OC(=O)C[C@@H]3C
Compound: Versipelostatin
SMILES: O=C1C(C2C3(C(O)=C4C(=O)OC5(C4=O)C(C=C(C)C(C5)C)(CCCC([C@@H](C(CC(C=C(C3C(C)=CC2C(C1)O)CC)CO)C)O[C@@H]6O[C@@H]([C@@H](O[C@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](C8)O)C)[C@@H](C7)OC)C)[C@H](C6)O)C)C)C)CC)C
Compound: Caeruleoramularin
SMILES: O=C1O[C@H]2[C@@]3([C@@H](C=4C=5C(=C(O)C=6C(=O)C=CC(C6C5)=O)C(=CC4C3)O)C=C[C@H]2O)[C@H](C=7C1=C(O)C=C(C)C7)O
Compound: Bleomycin A2'-b
SMILES: S1C(=NC(=C1)C(=O)NCCCN)C=2N=C(CCNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)[C@H](NC(=O)[C@@H](NC(=O)C3=NC(=NC(=C3C)N)[C@@H](NC[C@H](N)C(=O)N)CC(=O)N)[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@@H]([C@@H]4O[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@@H]5O)OC(=O)N)CO)O)CO)C=6NC=NC6)C)C)[C@H](O)C)SC2
Compound: Phomoxanthone G
SMILES: O=C1C2=C(O[C@]34[C@]1(O)[C@@H](O)C[C@@]([C@H]3O)(C)OC4)C=CC=C2O
Compound: 2-O-acetylaltersolanol B
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1C[C@@H](OC(=O)C)[C@](C3)(O)C
Compound: 6-Deoxyjacareubin
SMILES: CC1(C)Oc2cc3oc4c(O)cccc4c(=O)c3c(O)c2C=C1
Compound: Cremenolide
SMILES: O=C1OC(C=CC(OC(=O)/C=C/C)C(C(CC1)OC(=O)C)O)C
Compound: Cralactone B
SMILES: O=C1OC2=C(C=C(C)C(=C2)OC)[C@H]([C@@H]1[C@@]3(O)C(=O)O[C@H](C3)C)C
Compound: Sporidesmin E
SMILES: ClC1=C(OC)C(OC)=C2N(C)C3C(C2=C1)(O)C(O)C45SSSC(C(N34)=O)(C)N(C5=O)C
Compound: Enduracidin B
SMILES: ClC1=C(O)C(Cl)=CC(=C1)C2NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(C(NC(C(NC(C(C(OC(C(NC(C(NC(C(NC(CNC2=O)=O)CC3NC(N)=NC3)=O)C)=O)C4=CC=C(O)C=C4)=O)C)NC(=O)C(NC(=O)/C=C/C=C/CCCCC(C)C)CC(=O)O)=O)C5=CC=C(O)C=C5)=O)CCCN)=O)C6=CC=C(O)C=C6)C7=CC=C(O)C=C7)C(O)C)CCCNC(=O)N)CC8NC(N)=NC8)C9=CC=C(O)C=C9)CO
Compound: Phomoxanthone H
SMILES: O=C1C2=C(O[C@]34[C@]1(O)[C@H](O)C[C@@]([C@H]3O)(C)OC4)C=CC=C2O
Compound: Alterporriol U
SMILES: O=C1C2=C(C3=C(O)C=4C(=O)C5=C(C[C@@](O)(C)[C@@H](C5)O)C(C4C=C3OC)=O)C(OC)=CC(=C2C(=O)C6=C1C[C@@](O)(C)[C@@H](C6)O)O
Compound: 3-[(2R,5S)-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: Tenvermectin C
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C([C@@H](O[C@@H]4O[C@H]([C@H](O[C@@H]5O[C@H]([C@H](O)[C@H](C5)OC)C)[C@H](C4)OC)C)[C@H](C=CC=C6[C@]7([C@H]1C=C([C@H](O)[C@H]7OC6)CC)O)C)C)O[C@@H]([C@@H](C)CC3)C
Compound: Saprolmycin D
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](OC5OC(C(=O)CC5)C)(C)C4)O)[C@H]6O[C@H]([C@H](OC7OC(C(OC8OC(C(=O)C=C8)C)CC7)C)[C@H](C6)O)C
Compound: trans-Dihydro-8-hydroxyblennolide H
SMILES: O=C1C2=C(O[C@]3([C@H]1[C@@H](O)C[C@H]([C@@H]3O)C)C(=O)OC)C=CC=C2O
Compound: Alterporriol V
SMILES: O=C1C2=C(C(O)=C(C)C=C2C(=O)C=3C1=C(O)C=C(OC)C3)C4=C(O)C(=CC5=C4C(=O)C6=C(O)C=C(OC)C=C6C5=O)C
Compound: Phomoxanthone I
SMILES: O=C1C2=C(OC3=C1[C@H]([C@@H](O)[C@@H](C3)C)CO)C=CC=C2O
Compound: Pseudodeflectusin
SMILES: O=C1C(OC2=C1C=CC3=C2C(OC(C3)C)O)=C(C)C