MonarchInit/C3PO huggingface dataset:
Compound: Amphistin
SMILES: O=C(O)C(NCCC(N)C(=O)O)CNC(C(=O)O)CC=1NC=NC1
Compound: Thailanstatin B
SMILES: ClC[C@@]1(O)[C@H](O)[C@H](O[C@@H](C1)CC(=O)O)/C=C/C(=C/C[C@@H]2O[C@@H]([C@H](NC(=O)/C=C\[C@@H](OC(=O)C)C)C[C@@H]2C)C)/C
Compound: Resinacein K
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)C)/C(=C\C(=O)CC(C(=O)O)C)/C)C
Compound: Strobilol L
SMILES: OC1(C(=C)CO)[C@@H]2[C@@H](O)C(=CC[C@H]2[C@H](C)C[C@@H]1O)C
Compound: 5-chlorounguinolic acid
SMILES: ClC1=C(O)C=C(OC2=C(O)C(=C(O)C=C2/C(=C/C)/C)C)C(=C1C)C(=O)O
Compound: Thiocladospolide F
SMILES: S([C@@H]1C(=O)O[C@@H](CCCCC[C@@H](C(C1)=O)O)C)[C@@H]2C(=O)O[C@@H](CCCCC[C@@H](C(C2)=O)O)C
Compound: Omphalotin D
SMILES: O=C1N([C@H](C(=O)N([C@@H](OC(=O)C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N(CC(=O)N2C3NC=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@H](CC)C)=O)C(C)C)C)C)[C@@H](CC)C)C)C(C)C)C)[C@H]([C@@H](OC(=O)C)C)C)C
Compound: Pyrenolide A
SMILES: O=C1O[C@@H]([C@@H]2O[C@@H]2C=CC(C=C1)=O)C
Compound: Resinacein L
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1O)C)/C(=C/C(=O)CC(C(=O)O)C)/C)C
Compound: N-acetyl-L-methionine
SMILES: CSCC[C@H](NC(C)=O)C(O)=O
Compound: Cystargolide B
SMILES: O=C1OC(C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C1C(C)C
Compound: 7-carboxyfolipastatin
SMILES: O=C1OC2=C(C(=C(C(=O)O)C(=C2C)O)C(=CC)C)OC3=C1C(C(=CC)C)=CC(=C3C)O
Compound: Thiocladospolide G
SMILES: S([C@@H]1C(=O)O[C@@H](CCCCC[C@@H](C(C1)=O)O)C)C[C@@H](O)C(=O)O
Compound: Belactosin C
SMILES: O=C1O[C@@H](C(=O)NCCC[C@H](NC(=O)[C@@H](N)C)C(=O)O)[C@@H]1[C@H](CC)C
Compound: Chlorocyclinone C
SMILES: ClC1=C(OC)C2=C3C(=O)C4=C(C(O)=C([C@@H](OC(=O)CO)C)C(=C4)C(=O)OC)C(C3=C(O)C=C2C=C1C)=O
Compound: Resinacein M
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)/C(=C/C(=O)C(O)C(C(=O)O)C)/C)C)[C@@H](O)CC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Hawaiinolide C
SMILES: O=C1O[C@@H]2C[C@H]3[C@@H](C(=C)CC[C@@H]3[C@@]4([C@@]2([C@@]1([C@H](O)CC4)C)O)C)C=C
Compound: 4,7-dichlorounguinol
SMILES: ClC1=C(O)C(=C2OC(=O)C=3C(OC2=C1/C(=C/C)/C)=C(Cl)C(O)=CC3C)C
Compound: Chrysorrhelactone
SMILES: O=C1OC=C2C1=CC3=C(CC(C3)(C)C)[C@@H](C2)C
Compound: Thiocladospolide H
SMILES: S([C@@H]1C(=O)O[C@@H](CCCCCCC(C1)=O)C)C[C@@H](O)C(=O)O
Compound: (-)-7-Geranylindolactam V
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1C(C)C)C)C=CC3C/C=C(/CCC=C(C)C)\C)CO
Compound: Resinacein N
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)/C(=C/C(=O)C(O)C(C(=O)O)C)/C)C)[C@@H](O)CC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Nidurufin-2'-(4-O-methyl)-beta-D-glucopyranose
SMILES: O=C1C2=C(O)C3=C(O[C@@]4(CC[C@H]([C@H]3O4)O[C@@H]5O[C@@H]([C@@H](OC)[C@@H]([C@H]5O)O)CO)C)C=C2C(=O)C=6C1=C(O)C=C(O)C6
Compound: 7-bromounguinol
SMILES: BrC1=C(O)C(=C2OC(=O)C3=C(OC2=C1/C(=C/C)/C)C=C(O)C=C3C)C
Compound: Thiocladospolide I
SMILES: S([C@@H]1C(=O)O[C@@H](CCCCC[C@@H](C(C1)=O)O)C)C[C@@H](O)C(=O)O[C@@H](CCCCCC[C@H](O)C=CC(=O)O)C
Compound: Takakiamide
SMILES: O=C1N[C@H](C(=O)NC2=C1C=CC=C2)CC=3C4=C(C=CC=C4)N(C3)CC=C(C)C
Compound: Resinacein O
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)C(O)C(C(=O)OC)C)C)C)[C@@H](O)CC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Oscillapeptilide 97-A
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)C)CCC2)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=C(OC)C=C4)C)=O)CC5=CC=CC=C5)C3=O)O)CC(C)C)C
Compound: 2-chloro-7-bromounguinol
SMILES: BrC1=C(O)C(=C2OC(=O)C3=C(OC2=C1/C(=C/C)/C)C=C(O)C(=C3C)Cl)C
Compound: GE 2270 C2a
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)CO)CC(=O)NC)=O)=CS6)C=CC(=N5)C=8SC=C(N8)C=9OCC(N9)C(=O)N%10C(C(=O)N)CCC%10)C(O)C%11=CC=CC=C%11
Compound: Guignardin E
SMILES: Cl[C@@H]1C(=O)C2=C(O)C=CC=C2C3([C@@H]1O)OC=4C=5C(C=CC4)=CC=CC5O3
Compound: Thiocladospolide J
SMILES: S([C@@H]1C(=O)O[C@@H](CCCCC[C@@H](C(C1)=O)O)C)C[C@@H](O)C(=O)O[C@@H](CCCCC[C@H](O)[C@H]2OC(=O)C=C2)C
Compound: Splenocin I
SMILES: O=C1O[C@H]([C@H](OC(=O)C2=CC=CC=C2)[C@@H](CC3=CC=CC=C3)C(O[C@@H]([C@@H]1NC(=O)C4=C(O)C(NC=O)=CC=C4)C)=O)C
Compound: Resinacein P
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)C)[C@@](O)(CC(=O)CC(C(=O)OC)C)C)C
Compound: Fascicularone J
SMILES: O=C1[C@@]2([C@]3(O)[C@H]([C@H]4[C@@H]2CC4(C)C)O[C@H]([C@@H]1O)[C@H]3C)C
Compound: 7-bromofolipastatin
SMILES: BrC1=C(O)C(=C2OC(=O)C3=C(OC2=C1C(=CC)C)C(=C(O)C=C3C(=CC)C)C)C
Compound: Pestalopyrone A
SMILES: O=C1OC(=CC2=C1CC3C(C([C@@H](O)C)C)COC3(O2)C(CC)C)C
Compound: Concanamycin D
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H](C)[C@@H]([C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)O)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@H](/C=C/C)[C@@H](C)[C@@H](C2)OC3OC(C(O)C(C3)O)C)O)C)C
Compound: Resinacein Q
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)C)[C@@H](CC(=O)C(O)C(C(=O)OC)C)C)C
Compound: Phomoxide
SMILES: O1[C@H]2[C@H](O)C(/C=C/C=C/CCC)=C([C@@H]([C@@H]12)O)CO
Compound: 6,8-diprenylnaringenin
SMILES: CC(C)=CCc1c(O)c(CC=C(C)C)c2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1
Compound: N-acetyl-L-proline
SMILES: CC(=O)N1CCC[C@H]1C(O)=O
Compound: Pestalopyrone B
SMILES: O=C1OC(=C(C)C2=C1CC3C(C([C@@H](O)C)C)COC3(O2)C(CC)C)C
Compound: Graphislactone F
SMILES: O=C1OC2=C(O)C(OC)=CC(=C2C=3C1=C(O)C=C(O)C3)O
Compound: 5-bromoagonodepside B
SMILES: BrC1=C(O)C(=C(O)C(=C1/C(=C/C)/C)C(=O)OC2=C(C(O)=C(C(=O)O)C(=C2)/C(=C/C)/C)C)C
Compound: Graphenone
SMILES: O=C1OC(=O)C(=C1/C=C/C=C/C=C(\C(=O)C)/C)C
Compound: Resinacein R
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)C(O)C(C(=O)OC)C)C)C)CCC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Muscarinic receptor antagonist 2
SMILES: O=C([C@@H](NC(=O)C)CCCN=C(N)N)CCCCCCCCN=C(N)N
Compound: Phomactin M
SMILES: O=C1C2=C[C@@H](O)[C@H](C)[C@]([C@@]2(O)C)(CCC(=C)[C@@H](CC[C@]3([C@H]1O3)C)O)C
Compound: Pestalopyrone C
SMILES: O=C1OC(=CC2=C1C[C@H]3[C@H](C(C(O)C)C)CO[C@]3(O2)C(CC)C)C
Compound: Unguidepside A
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1)C(=CC)C)C)C2=C(O)C=C(O)C=C2C
Compound: Cycloepoxylactone
SMILES: O=C1O[C@@H](CC2=C1[C@@H](O)[C@@H]3O[C@@H]3[C@H]2O)CCC
Compound: Resinacein S
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)C(O)C(C(=O)O)C)C)C)CCC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Coibanol C
SMILES: O=C1C2=C(O[C@]3(CC[C@H]([C@H]3C2)C(=C)C)C)[C@@H]4C[C@@]1(O)CO4
Compound: 1,5-dihydroxy-3-hydroxyethyl-6-methoxycarbonylxanthone
SMILES: O=C1C2=C(OC3=C1C=CC(=C3O)C(=O)OC)C=C(CCO)C=C2O
Compound: 3-bromounguidepside A
SMILES: BrC1=C(O)C(=C(C)C=C1O)C(=O)OC2=C(C(O)=C(C(=O)O)C(=C2)C(=CC)C)C
Compound: (4S,5S,6S)-5,6-epoxy-4-hydroxy-3-methoxy-5-methyl-cyclohex-2-en-1-one
SMILES: O=C1C=C(OC)[C@H](O)[C@]2([C@@H]1O2)C
Compound: Ilicicolinal I
SMILES: O=CC1=C2O[C@@]([C@@H](O)CC2=C(O)C=C1C)(CC/C=C(/CCCC(O)(C)C)\C)C
Compound: Pestalopyrone D
SMILES: O=C1OC(=C(C)C2=C1C[C@H]3[C@H](C(C(O)C)C)CO[C@]3(O2)C(CC)C)C
Compound: Samroiyotmycin A
SMILES: O=C1O[C@@H]([C@@H](CCC=CC=C(C(=O)O[C@@H]([C@@H](CCC=CC=C1C)C)CC=2OC=NC2)C)C)CC=3OC=NC3
Compound: Decarboxyunguidepside A
SMILES: O=C(OC1=C(C(O)=CC(=C1)C(=CC)C)C)C2=C(O)C=C(O)C=C2C
Compound: 11,12-epoxy-12beta-hydroxy-1-tremulen-5-one
SMILES: O=C1[C@H]([C@@H]2C(CC(C2)(C)C)=C3[C@@H](C1)[C@H](OC3)O)C
Compound: Carbamidocyclophane V
SMILES: ClC(Cl)CCC[C@@H]1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCC[C@H](CCCC(Cl)Cl)C3=C(C=C(C[C@H](CCCC1)C)C=C3O)O)C)C=C2O
Compound: Ilicicolinic acid G
SMILES: O=C(O)C1=C(O)C(=C(O)C=C1C)C/C=C(/CCC[C@@](O)(CCCC(O)(C)C)C)\C
Compound: Corollosporine
SMILES: O=C1O[C@@](O)(CCCCCC)C=2C1=C(O)C=CC2
Compound: Lyngbyabellin H
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(C)C)SC3)=O)SC2)C
Compound: 3-methoxyporriolide
SMILES: O=C1O[C@@H](OC)C2=C1C=C(O)C(=C2OC)C
Compound: Carbamidocylindrofridin A
SMILES: ClC(Cl)CCCC(Cl)CCCC[C@@H]([C@@H](OC(=O)N)C1=CC(O)=C(C(CCCC(Cl)Cl)CCCC[C@@H]([C@@H](OC(=O)N)C2=CC(O)=CC(=C2)O)C)C(=C1)O)C
Compound: Glaciapyrrole C
SMILES: O=C(C=1NC=CC1)/C=C(\C=C\C2OC2(CCC=C(C)C)C)/C
Compound: Aurachin K
SMILES: O1C=2C=3C([N+]([O-])=C(C2CC[C@]1(/C=C/C=C(/CCC=C(C)C)\C)C)C)=CC=CC3
Compound: Ilicicolinol
SMILES: ClC1=C(O)C(=C(O)C=C1C)C/C=C(/CCC[C@@](O)(CCCC(O)(C)C)C)\C
Compound: Rubiginosic acid
SMILES: O=C(O)/C(=C/C=C/CCCCCCCCC)/C
Compound: N-acetyl-L-tyrosine
SMILES: C([C@H](CC1=CC=C(C=C1)O)NC(C)=O)(=O)O
Compound: 7-methoxyporriolide
SMILES: O=C1OCC=2C1=C(OC)C(O)=C(C)C2OC
Compound: Ochrindole C
SMILES: O(C1=C(C(O)=C(O)C(=C1CC=C(C)C)C=2C3=C(C=CC=C3)NC2)C=4C5=C(C=CC=C5)NC4)C
Compound: 1-hydroxy-3-methoxy-8-methyl-2-O-beta-D-glucopyranosylnaphthaline
SMILES: O1[C@@H](OC2=C(O)C=3C(=CC=CC3C)C=C2OC)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Polluxochrin
SMILES: S(C1=C(C(=C(OC)C=C1O)C(=O)C2=C(O)C=C(C)C=C2O)C(=O)OC)C3=C(C(=C(OC)C=C3O)C(=O)C4=C(O)C=C(C)C=C4O)C(=O)OC
Compound: Ilicicolinal B
SMILES: ClC1=C(O)C2=C(O[C@H](C2)[C@](O)(CC/C=C(/CCC=C(C)C)\C)C)C(=C1C)C=O
Compound: Gibellulin C
SMILES: O1C2=C(OC3=C1C(=CC(=C3OC)O)C)C=C(C)C=C2O
Compound: Staphyloamide A
SMILES: O=C1N[C@@H](C(=O)N2[C@@]1(O)CCC2)C(CC)C
Compound: MKN-004B
SMILES: O=C1O[C@@H](C)[C@@H]([C@H]1CCC(C)C)O
Compound: Maculalactone G
SMILES: O=C1O[C@@]2([C@@H](C3=CC=CC=C3)C[C@@H]([C@]([C@]42[C@@]1(O4)CC5=CC=CC=C5)(O)C6=CC=CC=C6)O)CC7=CC=CC=C7
Compound: Gibellulin D
SMILES: O1C2=C(OC3=C1C(=CC(=C3O)OC)C)C=C(C)C=C2O
Compound: Rufoschweinitzin
SMILES: O=C(C1=C(O)C2=C(OC)C=C(OC)C=C2C(=C1C)C=3C=4C(C(O)=C(C3C)C(=O)C)=C(OC)C=C(C4)OC)C
Compound: Ilicicolinal C
SMILES: ClC1=C(O)C(=C(O)C(=C1C)C=O)C[C@@H]2[C@@](O)(CC[C@@H]2/C(=C/CC=C(C)C)/C)C
Compound: Ustusol A
SMILES: O=C1C=C([C@](O)(CO)[C@@]2([C@@H]1C([C@@H](O)CC2)(C)C)C)C
Compound: FR900452 B
SMILES: S(CC1NC(=C2C(=O)CCC2)C([C@H](C3C(=O)N(C)C4=C3C=CC=C4)C)NC1=O)C
Compound: Xeromphalinone B
SMILES: O=C1C(=C)[C@@]2(C=O)[C@H]3[C@H](CC(C3)(C)C)C[C@]42[C@@H]1O4
Compound: 1,7-Hydroxy-3-methylxanthone
SMILES: O=C1C2=C(OC3=C1C=CC=C3)C=C(C)C=C2O
Compound: Salinilactone D
SMILES: O=C1OCC2C1(C(=O)CC)C2
Compound: Ilicicolinal D
SMILES: ClC1=C(O)C(=C(O)C(=C1C)C=O)C[C@@H]2[C@@](O)(CC[C@@H]2C(=C)CCC=C(C)C)C
Compound: Micropeptin MM932
SMILES: S(=O)(=O)(OC[C@@H](O)C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H](CC3=CC=CC=C3)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@H](CC)C)=O)CC4=CC=C(O)C=C4)C)=O)[C@H](O)CC2)CC(C)C)O
Compound: Zorbamycin B
SMILES: S1C(=NC(=C1)C(=O)NCCC(=N)N)C=2N=C(CCNC(=O)[C@@H](NC(=O)C(C(O)C(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](OC4OC(C(O)C(C4OC5OC(C(O)C(C5O)OC(=O)N)CO)O)C)C=6NC=NC6)CCO)C)C(O)C)SC2
Compound: N-acetyl-L-valine
SMILES: O=C(O)[C@@H](NC(=O)C)C(C)C
Compound: FR900452 C
SMILES: S(CC1NC(=C2C(=O)C=CC2)C([C@H](C3(O)C(=O)N(C)C4=C3C=CC=C4)C)NC1=O)C
Compound: Salinilactone E
SMILES: O=C1OCC2C1(C(=O)C(C)C)C2
Compound: Ganocin A
SMILES: O=CC1=C[C@]23OC(C)(C)[C@@H]4[C@]2([C@](CC4)(C)OC5=C3C=C(O)C=C5)CC1
Compound: Ilicicolinal E
SMILES: ClC1=C(O)C(=C(O)C(=C1C)C=O)C[C@@H]2[C@@](O)(CC[C@@H]2/C(=C\CC=C(C)C)/C)C
Compound: Tsavoenone A
SMILES: O=C1C(=CC(=O)[C@@]2([C@@]13OC=4C(=C(C)C=C(C4[C@H]3O)O)C(=O)OC)OC=5C(=C(O)C(=C(C5C2)C)C(=O)OC)C)C
Compound: Berkedienolactone
SMILES: O=C/1O[C@H](/C=C/C=C)C\C1=C/CC
Compound: Jiangrine E
SMILES: O=C(NCCCCCN1C(=CC=C1)C=O)C
Compound: Salinilactone F
SMILES: O=C1OCC2C1(C(=O)CCC)C2
Compound: Dehydroaltenusinic acid
SMILES: O=C1C(O)=C[C@@](O)(C)C(=C1)C2=C(C(O)=CC(=C2)OC)C(=O)O
Compound: Ilicicolinal F
SMILES: ClC1=C2O[C@@]([C@@H](O)CC2=C(O)C(=C1C)C=O)(CC/C=C(/CCC=C(C)C)\C)C
Compound: Tsavoenone B
SMILES: O=C1C(=CC(=O)[C@@]2([C@@]13OC=4C(=C(C)C=C(C4[C@@H]3O)O)C(=O)OC)OC=5C(=C(O)C(=C(C5C2)C)C(=O)OC)C)C
Compound: A-D-Mannopyranosyl-(1->2)-a-D-glucopyran
SMILES: O=C(O)C(O[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)O)CO)CO
Compound: Aigialomycin F
SMILES: O=C1O[C@H]([C@H](O)C=2C1=C(O)C=C(OC)C2)C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@@H](O)C
Compound: Salinilactone G
SMILES: O=C1OCC2C1(C(=O)CCCCC)C2
Compound: Tsavoenone C
SMILES: O=C1C(=CC(=O)[C@]2([C@@]13OC=4C(=C(C)C=C(C4[C@@H]3O)O)C(=O)OC)OC=5C(=C(O)C(=C(C5C2)C)C(=O)OC)C)C
Compound: Ilicicolinal G
SMILES: O=CC1=C(O)C2=C(O[C@@](CC/C=C(/CCC=C(C)C)\C)(C)[C@H](C2)O)C=C1C
Compound: Cattienoid B
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@](C(=O)CC4)(C)CCC3C=C2C=C1)C)(C)C
Compound: 16,17-didehydro-8-desmethoxy-isomigrastatin
SMILES: O=C1O[C@@H](/C(=C/[C@@H](C(=O)/C=C/CC2CC(=O)NC(C2)=O)C)/C)[C@H]([C@H](O)[C@@H](O)C=CCCC=C1)C
Compound: Bendigole E
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H]([C@@H](C(=O)C)C)CC4)(C)[C@H](C3)O)[C@@H](C2)O)(C)C=C1
Compound: Holrhizin A
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCC)C(C)C)CC1=CC=CC=C1)CCC(=O)O)[C@H](CC)C)C)[C@H](CC)C
Compound: Salinilactone H
SMILES: O=C1OCC2C1(C(=O)CCC(CC)C)C2
Compound: Palmarumycin B1
SMILES: O=C1C=C[C@H](O)[C@]23[C@]1(O2)C4(OC=5C=6C(C=CC5)=CC=CC6O4)[C@H](O)[C@@H](O)[C@@H]3O
Compound: Ilicicolinal H
SMILES: ClC1=C(O)C2=C(O[C@@](CC/C=C(/CCC=C(C)C)\C)(C)[C@H](C2)O)C(=C1C)C=O
Compound: (Z)-pseudoxylallemycin F
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1CC2=C(O)C=C(OC/C=C\C)C=C2)=O)CC(C)C)C)CC3=CC=C(OCC=C=C)C=C3)CC(C)C)C
Compound: Mycenarubin C
SMILES: O=C1C(=O)C=2NC=C3C2C4=C1CNCCCN4[C@H](C(=O)O)C3
Compound: Mairetolide F
SMILES: O=C1O[C@@H]2C[C@]3(O)[C@H](O)CC[C@@H]([C@]3(CC2=C1C)C)C
Compound: Sesquiterpenoid 2
SMILES: O1C(O[C@H]2[C@@H]1[C@@H]3[C@](O)(CC[C@@H]4[C@H]([C@@H]3[C@@H]2C)[C@]4(CO)C)C)(C)C
Compound: Ilicicolinic acid E
SMILES: ClC1=C(O)C(=C(O)C(=C1C)C(=O)O)C/C=C(/CCC[C@@](O)(CCCC(O)(C)C)C)\C
Compound: Brabetaicicene U
SMILES: O=C1[C@]2(C(C[C@H](O)[C@H](C)[C@H]3C(=C2)[C@](O)(CC3)COC)=C(C1)C(C)C)C
Compound: Benastatin C
SMILES: O=C1C2=C(O)C=3C(=C4C(O)=CC(CCCCC)=CC4=CC3)C=C2C(C)(C)C=5C1=C(O)C=C(O)C5
Compound: Terpenibactin A
SMILES: O=C1N(O)CCCC[C@H]1NC(=O)C(C(OC(=O)[C@@H](NC(=O)[C@H]2N=C(C3=C(O)C=CC=C3)O[C@@H]2C)CCCCN(O)C=O)CCCCCCCCCCCCCCC)C
Compound: Versicamide G
SMILES: O=C1NC2=C(C(=O)C[C@@H]3N(C=CC1(C)C)C(=O)C=4N(CCC4)C3=O)C=CC5=C2C=CC(O5)(C)C
Compound: 2-methoxy pinselin
SMILES: O=C1C2=C(C(OC)=CC=C2OC3=C1C(O)=CC(=C3)C)C(=O)OC
Compound: Seriniquinone
SMILES: S1C=2C(=O)C3=C(C=CC=C3)C(C2C4=C1C(=O)C5=C(C=CC=C5)C4=O)=O
Compound: Brabetaicicene Q
SMILES: O=C1C2=C([C@H]([C@@H](O)CC=3[C@@](C2)(CCC3C(C)C)C)C)CC1
Compound: 5''-Dihydromethoxyhygromycin A
SMILES: O=C(NC1[C@H](O)[C@@H](O)C(OC)[C@H]([C@@H]1O)O)/C(=C/C2=CC(O)=C(O[C@@H]3O[C@H]([C@@H](O)C)[C@H]([C@@H]3O)O)C=C2)/C
Compound: Terpenibactin B
SMILES: O=C1N(O)CCCC[C@H]1NC(=O)C(C(OC(=O)[C@@H](NC(=O)[C@H]2N=C(C3=C(O)C=CC=C3)O[C@@H]2C)CCCCN(O)C=O)CC/C=C\CCCCCCCCCCCCC)C
Compound: Terezine C
SMILES: O=C1N[C@](O)(C(OC)=N[C@@]1(OC)C(C)C)[C@H](O)C2=CC=CC=C2
Compound: Xanthoquinodin B6
SMILES: O=C1C2=C(O)C3=C(O)C=C(C)C=C3[C@@H]([C@]24C=C[C@H]1C5=C6O[C@@](C(=O)OC)([C@H]7OC(=O)CC7)CC(C6=C(O)C=C5C4)=O)O
Compound: Cladosin A (minor tautomer)
SMILES: O=C/1NC(=C(C)C)C(\C1=C(/N)\C[C@@H](OC)C[C@@H](O)C)=O
Compound: Brabetaicicene R
SMILES: O=C1C(=C2C[C@H](O)[C@H](C)[C@H]3C(=C[C@]2([C@@H]1O)C)[C@](O)(CC3)COC)C(C)C
Compound: Cinnabaramide G
SMILES: S(C(=O)[C@@]1(NC(=O)[C@@H]([C@@]1(O)C)CCCCCC)[C@@H](O)[C@@H]2C=CCCC2)C[C@H](NC(=O)C)C(=O)OC
Compound: Terpenibactin C
SMILES: O=C1N(O)CCCC[C@H]1NC(=O)C(C(OC(=O)[C@@H](NC(=O)[C@H]2N=C(C3=C(O)C=CC=C3)O[C@@H]2C)CCCCN(O)C=O)CCCCCCCCCCCCCCCCC)C
Compound: Xanthoquinodin B7
SMILES: O=C1C2=C(O)C3=C(O)C=C(C)C=C3[C@@H]([C@]24C=C[C@H]1C5=C6O[C@](C(=O)OC)([C@H]7OC(=O)CC7)CC(C6=C(O)C=C5C4)=O)O
Compound: Aeruginosin 103-A
SMILES: O=C(N[C@@H]1[C@@H](OCC)N(C(=N)N)CCC1)C2N(C(=O)[C@H](NC(=O)[C@H](O)CC3=CC=C(O)C=C3)CC4=CC=C(O)C=C4)C5CC(O)CCC5C2
Compound: 5alpha,8alpha-Epidioxycholesta-6,9(11),22-trien-3beta-ol
SMILES: O1O[C@@]23C=C[C@]14C(=CC[C@]5([C@H]4CC[C@@H]5[C@@H](/C=C/CC(C)C)C)C)[C@]2(CC[C@@H](C3)O)C
Compound: Brabetaicicene S
SMILES: O=C1C(=C2C[C@H](O)[C@H](C)[C@H]3C(=C[C@]2([C@H]1O)C)[C@](O)(CC3)COC)C(C)C
Compound: Hyphodiscorubrin
SMILES: O=C1OC2=C(C=C3C(C2=C1C(=O)C=CC=CC=CC)=C(O[C@@H]3OC=O)C)C
Compound: Xanthoquinodin B8
SMILES: O=C1C2=C(O)C=C(C)C=C2[C@H](O)[C@]34[C@]1(O)C(=O)[C@H](C=5C=6O[C@@](C(=O)OC)([C@H]7OC(=O)CC7)CC(C6C(=CC5C3)O)=O)C=C4
Compound: 27-deoxylyngbyabellin A
SMILES: ClC(Cl)(CCC[C@@H]1OC(=O)C=2N=C([C@@H](NC(=O)CNC(C=3N=C([C@@H](OC(C1(C)C)=O)C(C)C)SC3)=O)[C@H](CC)C)SC2)C
Compound: Sch 601253
SMILES: O=C1[C@H](O)C=C(CC[C@@H]2[C@@H]([C@@H]1CO)CC2(C)C)C
Compound: Multiforisin E
SMILES: O=C1OC(=C(C=O)C(=C1COC)OC)/C=C/C
Compound: Xyloneside A
SMILES: O=C1O[C@@]2(O)CC[C@]3([C@H](C2=C1)CC[C@@H]3[C@@H](/C=C/[C@@H](C(O[C@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)CO)(C)C)C)C)C
Compound: Brabetaicicene T
SMILES: O=C1C(=O)[C@@]2(C=C3[C@](O)(CC[C@H]3[C@H]([C@H](CC2=C1C(C)C)O)C)COC)C
Compound: Xanthoquinodin A10
SMILES: O=C1C2=C(O)C=C(C)C=C2[C@H](O)[C@]34[C@]1(O)C(=O)[C@H](C=5C(O)=C6C(=O)C[C@](OC6=CC5C3)(C(=O)OC)[C@H]7OC(=O)CC7)C=C4
Compound: Berninamycin C
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N/C(/C=3OC(C)=C(N3)C(=O)NC(C(=O)N[C@@H](C(O)(C)C)C(NC(C4=NC(C(NC(C(NC(C5=NC(C6=C2C=CC(=N6)C(=O)NC(C(=O)N)=C)=CO5)=C)=O)=C)=O)=C(O4)C)=C)=O)=C)=C\C)[C@H](O)C
Compound: Fuscoatrol A
SMILES: O([C@H]1C=C([C@@H]2[C@](O)(C(C)(C)C2)[C@H](CC(=C1)C)O)CO)C
Compound: Teucrenone
SMILES: O=C1C=C([C@H]2C[C@@](O)(C(=C)C)CC[C@@]2(C1)C)C
Compound: Pseudoxylaramide A
SMILES: O=C(OC)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C)[C@H](CC)C)C)CC1=CC=CC=C1)[C@H](CC)C)C)CC2=CC=CC=C2
Compound: Brabetaicicene V
SMILES: O(C[C@]1(O)C2=C[C@@]3(C(=C(C(C)C)C[C@H]3O)C[C@@H]([C@@H]([C@@H]2CC1)C)O)C)C
Compound: Spiroxanthoquinodin A
SMILES: O=C1C2=C(O)C=C(C)C=C2[C@H](O)[C@@]3([C@H]1O)C=C[C@H](C(=O)OC)C4=C(C3)C=C5O[C@@](C(=O)OC)([C@H]6OC(=O)CC6)CC(C5=C4O)=O
Compound: 1-Hydroxy-D-788-7
SMILES: O=C1C2=C(O)C3=C([C@@H](OC4OC(C(O)C(C4)N)C)C[C@]([C@@H]3O)(O)CC)C(=C2C(=O)C5=C1C(O)=CC=C5O)O
Compound: Aeruginosin EI461
SMILES: O=C(N)[C@@H]1N(C(=O)[C@H](NC(=O)[C@@H](O)CC2=CC=C(O)C=C2)CC(C)C)[C@@H]3C[C@H](O)CC[C@@H]3C1
Compound: IV A
SMILES: O=C1C2=C(O)C3=C(C(O)[C@@](O)(CC)CC3OC4OC(C(OC5OC(C(OC6OC(C(=O)CC6)C)[C@H](C5)O)C)[C@H](C4)N(C)C)C)C=C2C(=O)C=7C1=C(O)C=CC7
Compound: Pseudoxylaramide B
SMILES: O=C(O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C)[C@H](CC)C)C)CC1=CC=CC=C1)[C@H](CC)C)C)CC2=CC=CC=C2
Compound: Brabetaicicene W
SMILES: O([C@]1(C2=C[C@@]3(C(=C(C(C)C)C[C@@H]3O)C[C@@H]([C@@H]([C@@H]2CC1)C)O)C)COC)C
Compound: Spiroxanthoquinodin B
SMILES: O=C1C2=C(O)C=C(C)C=C2[C@H](O)[C@@]3([C@H]1O)C=C[C@H](C(=O)OC)C4=C(C3)C=C(O)C5=C4O[C@]6(C(C(=O)CC[C@H]6O)=C5O)C(=O)OC
Compound: Rubetauphelin C
SMILES: ClC1=C(OC2=C(O)C(OC3=C(Cl)C=C(O)C=C3Cl)=CC(=C2)O)C(Cl)=CC(=C1)O
Compound: Trichodone A
SMILES: O=C1C=C(CC[C@H]1[C@@H](CC[C@H](O)C(O)(C)C)C)C
Compound: Desmethyldichlorodiaportin
SMILES: ClC(Cl)[C@H](O)CC=1OC(=O)C=2C(O)=CC(=CC2C1)O
Compound: Pseudoxylaramide C
SMILES: O=C(OC)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C)[C@H](CC)C)C)CC1=CC=CC=C1)CC2=CC=CC=C2)C)CC3=CC=CC=C3
Compound: Brabetaicicene X
SMILES: O=C1[C@@]2(C=C3[C@](O)(CC[C@H]3[C@@H](C)[C@H](C[C@@]24O[C@]4(C1)C(C)C)O)COC)C
Compound: Cytosporanthraxanthone
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=C(C)C3)C(=CC=C2O)CC4=CC=5O[C@@](C(=O)OC)([C@H]6OC(=O)CC6)CC(C5C(=C4)O)=O
Compound: Sequoiamonascin A
SMILES: O=C1C2=C(C[C@]3(OC(=O)C=C3)OC2)C[C@H]4[C@]1(OC(=O)[C@@H]4C(O)CCCCCCC)C
Compound: Circumcin A
SMILES: OC1=CC=C(C[C@H](O)[C@@H](O)CC2=CC=CC=C2)C=C1
Compound: Leptosin G1
SMILES: S1S[C@@]2(N(C)C([C@]3(S1)N([C@H]4NC=5C=CC=CC5C4([C@@H]3O)[C@]67C8=C(C=CC=C8)N[C@H]6N9C(=O)[C@@]%10(SSS[C@@]9([C@H]7O)C(=O)N%10C)CO)C2=O)=O)C(C)C
Compound: Terreusterpene A
SMILES: O=C1[C@@H](O)[C@@]2([C@@H](C(=O)OC)[C@@]3(C(=O)[C@](C(=O)OC)(C)O[C@]3(C)C[C@H]2[C@]4([C@H]1C(C(=O)CC4)(C)C)C)C)C
Compound: Xanthoquinodin A7
SMILES: O=C1C2=C(O)C3=C(O)C=C(C)C=C3[C@@H]([C@]24C=C[C@H]1C5=C(O)C6=C(O[C@](C(=O)OC)([C@H]7OC(=O)CC7)CC6=O)C=C5C4)O
Compound: Pseudoxylaramide D
SMILES: O=C(O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C)[C@H](CC)C)C)CC1=CC=CC=C1)CC2=CC=CC=C2)C)CC3=CC=CC=C3
Compound: Antrocinnamomin A
SMILES: O=C1N(OC(=O)C)C(=O)C(=C1C2=CC=C(OCC=C(C)C)C=C2)CC(C)C
Compound: Citrinin hydrate
SMILES: O=C(O)C1=C(O)C2=C([C@@H]([C@@H](C)OC2O)C)C(=C1O)C
Compound: (8S,8a-R)-7-Deacetyl-5-dechloro-1,O8,8,8a-tetrahydro-7-epi-sclerotiorin
SMILES: O=C1C=C2C=C(OC[C@H]2[C@@H]([C@@]1(O)C)O)/C=C/C(=C/[C@H](CC)C)/C
Compound: Xanthoquinodin A8
SMILES: O=C1C2=C(O)C3=C(O)C=C(C)C=C3[C@@H]([C@]24C=C[C@H]1C5=C(O)C6=C(O[C@](C(=O)OC)([C@@H](O)CCC(=O)OC)CC6=O)C=C5C4)O
Compound: Terreusterpene B
SMILES: O=C1O[C@H]2C[C@]3(C([C@]14[C@H]2C([C@@H](OC(=O)C)CC4)(C)C)=C[C@]5(O[C@](C(=O)OC)(C)C([C@@]5(C)[C@H]3C(=O)OC)=O)C)C
Compound: Xylacremolide A
SMILES: O=C1N2[C@H](C(=O)O[C@@H](C[C@H](CC(N[C@@H]1CC3=CC=CC=C3)=O)O)CCC)CCC2
Compound: 8-deoxyophiobolin J
SMILES: O=C1C2=C(CC[C@H]3[C@]4(O[C@@H](C=C(C)C)C[C@@H]4C)CC[C@@]3(C[C@@H]2C(=C1)C)C)CO
Compound: Cordyanhydride B
SMILES: O=C1OC(=O)C(=C1/C=C/CC)CC(CC=2C(=O)OC(C2CC(CC=3C(=O)OC(C3CCC(=O)O)=O)CC)=O)CC
Compound: Xanthoquinodin A9
SMILES: O=C1C2=C(O)C3=C(O)C=C(C)C=C3[C@@H]([C@]24C=C[C@H]1C5=C(O)C=6C(O)=C7C(=O)CC[C@@H]([C@]7(C(=O)OC)OC6C=C5C4)O)O
Compound: Infectopyrone A
SMILES: O=C1OC(C(=CC(=CC(=O)O)C)C)=CC(=C1CO)OC
Compound: Terreusterpene C
SMILES: O=C1[C@@H](O)[C@]2([C@@H](CC(=C)[C@@]3([C@H]2C(=O)OC3(O)[C@](O)(C(=O)OC)C)C)[C@]4([C@H]1C(C(=O)CC4)(C)C)C)C
Compound: (22E)-23-methylergosta-5, 7-22-trien-3beta-ol
SMILES: O[C@@H]1CC2=CC=C3[C@H]4[C@]([C@@H]([C@@H](/C=C(/[C@@H](C(C)C)C)\C)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC1
Compound: Xylacremolide B
SMILES: O=C1N2[C@H](C(=O)O[C@@H](C[C@H]([C@@H](C(N[C@@H]1CC3=CC=CC=C3)=O)C)O)CCC)CCC2
Compound: Stephacidin A
SMILES: O=C1N2C3(C(=O)NC14C(C(C=5NC6=C(C5C4)C=CC7=C6C=CC(O7)(C)C)(C)C)C3)CCC2
Compound: Cytosporolide A
SMILES: O=C1OO[C@@]2([C@H]([C@@H](OC)C=C(CO)[C@@H]3[C@]([C@H](C2)O)(O)C(C3)(C)C)[C@@H]4C5=C(C1=C(O)C=C5C[C@@H](CCCCCC)O4)C)C
Compound: (5S,8S,9S,12R)-20-chloro-5,9-dihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione
SMILES: ClC1=CC=2NC(=O)C[C@H](O)C(=C[C@@H]([C@@H](O)CC([C@@H](C=CC=C(CC(=C1)C2)C)OC)=O)C)C
Compound: Palustrisoic acid H
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)C[C@@](O)(CC(=O)OC)C)CC4)(C)C)CC3)C)CC2)(C)C[C@H]1O)C)CCC(=C)C(C)C
Compound: Terreusterpene D
SMILES: O=C1[C@@]2(OC(=O)[C@H]3[C@@]2([C@@H](CC(=C)[C@]3(C(=O)[C@](O)(C(=O)OC)C)C)[C@]4([C@H]1C(C(=O)CC4)(C)C)C)C)O
Compound: Benvitimod
SMILES: OC1=C(C(O)=CC(=C1)/C=C/C2=CC=CC=C2)C(C)C
Compound: Tenacibactin A
SMILES: O=C(OC)CCC(=O)NCCCCCN(O)C(=O)CC(C)C
Compound: Ganodermic acid R
SMILES: O=C(O)/C(=C/CC[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@H](OC(=O)C)CC4)(C)C)CC3)C)=CC2)(C)[C@H](C1)OC(=O)C)C)C)/C
Compound: (5S,8S,9S,12R)-21-chloro-5,9-dihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione
SMILES: ClC1=C2NC(=O)C[C@H](O)C(=C[C@@H]([C@@H](O)CC([C@@H](C=CC=C(CC(=C2)C=C1)C)OC)=O)C)C
Compound: 7-hydroxy-10-ethoxydehydrodihydrobotrydial
SMILES: O1[C@H](OCC)C2=C(C=CC3=C2[C@@](C1)([C@H](O)C3(C)C)C)C
Compound: 3-acetonylidene-7-prenylindolin-2-one
SMILES: O=C1NC=2C(=CC=CC2C1=CC(=O)C)CC=C(C)C
Compound: Dermacozine I
SMILES: O=C(N)C1=C2N(C3=C(C(C(=O)N)=CC=C3)NC2=C(C(=O)C4=CC=CC=C4)C=C1)C
Compound: 2(S)-2-acetamido-3-phenylpropylacetate
SMILES: O=C(OC[C@@H](NC(=O)C)CC1=CC=CC=C1)C
Compound: Palustrisolide A
SMILES: O=C1O[C@@H](C[C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@H](OC(=O)C[C@@](O)(CC(=O)OC)C)CC5)(C)C)CC4)C)C[C@@H]3O)(C)CC2)C)C)C(=C1C)C
Compound: (5S,8S,9S,12R)-21-bromo-5,9-dihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione
SMILES: BrC1=C2NC(=O)C[C@H](O)C(=C[C@@H]([C@@H](O)CC([C@@H](C=CC=C(CC(=C2)C=C1)C)OC)=O)C)C
Compound: Ganorbiformin E
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@@H](OC(=O)C)CC=C(C(=O)O)C)C)CC4)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C
Compound: Butrepyrazinone
SMILES: O=C1NC(=C(C)N=C1CC2=CC=CC=C2)C
Compound: 3-butylphenol
SMILES: OC1=CC(=CC=C1)CCCC
Compound: Palustrisolide B
SMILES: O=C1O[C@@H](C[C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@H](OC(=O)C[C@@](O)(CC(=O)O)C)CC5)(C)C)CC4)C)C[C@@H]3O)(C)CC2)C)C)C(=C1C)C
Compound: Aigialomycin G tautomer
SMILES: O=C1O[C@H]([C@H](O)C=2C1=C(O)C=C(OC)C2)C[C@H](O)[C@H](O)C(=O)CCC[C@@H](O)C
Compound: (5S,8S,9S,12R)-21-chloro-5,9,20-trihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione
SMILES: ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)C(=O)C[C@@H]([C@H](C=C([C@H](CC(NC1=C2)=O)O)C)C)O)C
Compound: 3-(oximinoacetamido)acrylamide
SMILES: O=C(N/C=C/C(=O)N)/C=N\O
Compound: Oosporein
SMILES: O=C1C(O)=C(C(=O)C(=C1C2=C(O)C(=O)C(C)=C(C2=O)O)O)C
Compound: Palustrisolide C
SMILES: O=C1O[C@@H](C[C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@H](OC(=O)C[C@@](O)(CC(=O)OC)C)CC5)(C)C)CC4)C)C[C@@H]3O)(C)CC2)C)C)C(=C1C)CO
Compound: 2,8-dihydroxy-9-oxo-9H-xanthene-6-carboxylic acid
SMILES: O=C1C2=C(OC3=C1C=C(O)C=C3)C=C(C(=O)O)C=C2O
Compound: YM-181741
SMILES: O=C1C2=C3C(=O)C[C@@H](CO)CC3=CC=C2C(=O)C4=C1C=CC=C4O
Compound: (5S,8S,9S,12R)-21-chloro-5,9-dihydroxy-12,20-dimethoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione
SMILES: ClC1=C(OC)C=C2CC(=CC=C[C@@H](OC)C(=O)C[C@@H]([C@H](C=C([C@H](CC(NC1=C2)=O)O)C)C)O)C
Compound: Desmethyl dermoquinone
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C=3C1=C(O)C=C(CC(=O)C)C3
Compound: Sterostrein U
SMILES: O[C@@]1([C@@]23[C@H]([C@@H](C)C[C@@H]1CC2)[C@H](O)C(C3)(C)C)C
Compound: 20(21)-dehydrolucidenic acid N
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)C(=C)CCC(=O)O)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Aurachin H
SMILES: O1C=2C=3C([N+]([O-])=C(C2C[C@H]1[C@](O)(CC/C=C(/CCC=C(C)C)\C)C)C)=CC=CC3
Compound: Palustrisolide D
SMILES: O=C1O[C@@H](C[C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@H](OC(=O)CC(=O)O)CC5)(C)C)CC4)C)C[C@@H]3O)(C)CC2)C)C)C(=C1C)C
Compound: (6S,9S,10S,13R)-6,10,21-trihydroxy-13-methoxy-7,9,17-trimethyl-3-oxabicyclo[17.3.1]tricosa-1(22),7,14,16,19(23),20-hexaene-4,12-dione
SMILES: O=C1OCC2=CC(O)=CC(=C2)CC(=CC=C[C@H](C(C[C@@H]([C@H](C=C([C@H](C1)O)C)C)O)=O)OC)C
Compound: Z-coniosclerodinol
SMILES: O=C1C2=C(OC(O)=C3C2=C(C(C)=CC3=O)C(=C1)OC/C=C(\CO)/C)O
Compound: (3R)-methyl-7,8-dimethoxy-6-(hydroxymethyl)dihydroisocoumarin
SMILES: O=C1O[C@@H](CC=2C1=C(OC)C(OC)=C(CO)C2)C
Compound: ZGL1
SMILES: P(=O)(O[C@@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2N)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1O)O)(OC[C@H](NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC)[C@H](O)C(O)CCCCCCCCCCCCCC)O
Compound: Paecilomycin B
SMILES: O=C1O[C@H](CC=C[C@@H](O)[C@H]2O[C@@H](C=3C1=C(O)C=C(OC)C3)[C@H](O)C[C@@H]2O)C
Compound: Palustrisolide E
SMILES: O=C1O[C@@H](C[C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@@H](OC(=O)C[C@@](O)(CC(=O)O)C)CC5)(C)C)CC4)C)C[C@@H]3O)(C)CC2)C)C)C(=C1C)C
Compound: (6S,9S,10S,13S)-6,10,21-trihydroxy-13-methoxy-7,9,17-trimethyl-3-oxabicyclo[17.3.1]tricosa-1(22),7,14,16,19(23),20-hexaene-4,12-dione
SMILES: O=C1OCC2=CC(O)=CC(=C2)CC(=CC=C[C@@H](C(C[C@@H]([C@H](C=C([C@H](C1)O)C)C)O)=O)OC)C
Compound: (3R)-methyl-8-hydroxy-6-(hydroxymethyl)-7-methoxydihydroisocoumarin
SMILES: O=C1O[C@@H](CC=2C1=C(O)C(OC)=C(CO)C2)C
Compound: Botryosphaerihydrofuran
SMILES: O1[C@]23O[C@]2(C[C@]4(C(=C3)C=C[C@H]4C)C)[C@@H](C1)C
Compound: (2S)-4-oxo-1-azabicyclo<3.3.0>octa-5,7-diene-2-carboxylic acid
SMILES: O=C1C=2N(C=CC2)[C@@H](C1)C(=O)O
Compound: Palustrisoic acid A
SMILES: O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C[C@@](O)(CC(=O)O)C)CC4)(C)C)[C@@H](C3)O)C)C[C@@H]2O)(C)CC1)C)C)C
Compound: Pyripyropene B
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C(O)C4C5(C(C(C(OC(=O)C)CC5)(COC(=O)CC)C)CC(C4(O3)C)OC(=O)C)C
Compound: Decanoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
SMILES: O=C(OC[C@@H]1OC(C)(C)OC1)CCCCCCCCC
Compound: (3S,6S,7S,10R)-3,7-dihydroxy-15-[3-hydroxy-5-(hydroxymethyl)phenyl]-10-methoxy-4,6,14-trimethyl-9-oxopentadeca-4,11,13-trienoic acid
SMILES: O=C(O)C[C@H](O)C(=C[C@@H]([C@@H](O)CC(=O)[C@H](OC)C=CC=C(CC1=CC(O)=CC(=C1)CO)C)C)C
Compound: Elmonin
SMILES: O1C=2C=3C(C=C(C2)C)=CC=C(C3[C@]14OCC5=C4C=CC=C5OC)O
Compound: Squalestatin U1
SMILES: O=C(O)[C@@]1(O)[C@@]2(O[C@](CCC(=C)[C@@H](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CC(O)C(CC(CC)C)C)O)C(=O)O
Compound: Palustrisolide F
SMILES: O=C1O[C@@H](C[C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@@H](OC(=O)C[C@@](O)(CC(=O)O)C)CC5)(C)C)[C@@H](C4)O)C)C[C@@H]3O)(C)CC2)C)C)C(=C1C)C
Compound: Aurachin E
SMILES: O=C1C2=C3N(C(=O)NC3=CC=C2)C(=C1C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C
Compound: Norpenicyrone
SMILES: O=C1OC(=C(C)C(=C1)OC)[C@@](O)(/C=C(/C(O)/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)\C)C
Compound: DaCDA3a
SMILES: O=C/1O[C@H]([C@@H](NC(=O)[C@H](N)CO)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C2=CC=C(O)C=C2)C(N[C@@H](C(NCC(N[C@H](C(N[C@@H](C(N\C1=C/C=3C4=C(C=CC=C4)NC3)=O)CCC(=O)O)=O)[C@@H](O)C(=O)N)=O)=O)CC(=O)O)=O)CC(=O)O)CC(=O)O)CC=5C6=C(C=CC=C6)NC5)C
Compound: methyl (2S,6R)-6-[(4R,5R,10S,13R,14R,15R,17R)-15-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@]3(CO)C)=O)C)[C@@]4([C@H](O)C[C@@H]([C@]4(C1)C)[C@@H](CC(=O)C[C@@H](C(=O)OC)C)C)C
Compound: 6-methyl-2,4-dihydroxyphenyl 4-O-methyl-beta-D-glucopyranoside
SMILES: O1[C@@H](OC2=C(O)C=C(O)C=C2C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)OC
Compound: Pyripyropene M
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@H]4[C@@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(COC(=O)C)C)C[C@@H]([C@]4(O3)C)OC(=O)CC)C
Compound: Palustrisolide G
SMILES: O=C1C2=C(C=C[C@]3([C@]2(CC[C@@H]3[C@@H](C[C@H]4OC(=O)C(=C4C)C)C)C)C)[C@]5(CC[C@H](C([C@@H]5C1)(C)C)OC(=O)C[C@@](O)(CC(=O)OC)C)C
Compound: Methyl norpenicyrone
SMILES: O=C1OC(=C(C)C(=C1)OC)[C@@](O)(/C=C(/C(OC)/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)\C)C
Compound: DaCDA3b
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@H](N)CO)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C2=CC=C(O)C=C2)C(N[C@@H](C(NCC(N[C@H](C(N[C@@H](C(NC1CC=3C4=C(C=CC=C4)NC3)=O)CCC(=O)O)=O)[C@@H](O)C(=O)N)=O)=O)CC(=O)O)=O)CC(=O)O)CC(=O)O)CC=5C6=C(C=CC=C6)NC5)C
Compound: Malformin B2
SMILES: S1SC[C@H]2NC(=O)[C@@H](NC(=O)[C@H](NC([C@@H](NC([C@@H](C1)NC2=O)=O)C(C)C)=O)C(C)C)CC(C)C
Compound: 2-amino-5-chloro-5-hexenoic acid
SMILES: ClC(=C)CC[C@H](N)C(=O)O
Compound: Saquayamycin A
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H](C(=O)C=C6)C)CC5)C)(C)C4)O)[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@H](C(=O)C=C8)C)[C@@H](C7)O)C
Compound: Methyl penicyrone
SMILES: O=C1OC(=C(C)C(=C1C)OC)[C@@](O)(/C=C(/C(OC)/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)\C)C
Compound: DaCDA4a
SMILES: O=C/1O[C@H]([C@@H](NC(=O)[C@H](N)CO)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C2=CC=C(O)C=C2)C(N[C@@H](C(NCC(N[C@H](C(N[C@@H](C(N\C1=C/C=3C4=C(C=CC=C4)NC3)=O)[C@@H](CC(=O)O)C)=O)[C@@H](O)C(=O)N)=O)=O)CC(=O)O)=O)CC(=O)O)CC(=O)O)CC=5C6=C(C=CC=C6)NC5)C
Compound: Palustrisoic acid B
SMILES: O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C[C@@](O)(CC(=O)O)C)CC4)(C)C)CC3)C)C[C@@H]2O)(C)CC1)C)C)C
Compound: 1-vinyl-beta-carboline-3-carboxylic acid
SMILES: O=C(O)C1=NC(=C2NC3=C(C2=C1)C=CC=C3)C=C
Compound: DaCDA4b
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@H](N)CO)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C2=CC=C(O)C=C2)C(N[C@@H](C(NCC(N[C@H](C(N[C@@H](C(NC1CC=3C4=C(C=CC=C4)NC3)=O)[C@@H](CC(=O)O)C)=O)[C@@H](O)C(=O)N)=O)=O)CC(=O)O)=O)CC(=O)O)CC(=O)O)CC=5C6=C(C=CC=C6)NC5)C
Compound: N,N'-bis[(S)-1-methoxycarbonylethyl]fumaric diamide
SMILES: O=C(N[C@H](C(=O)OC)C)/C=C/C(=O)N[C@H](C(=O)OC)C
Compound: Palustrisoic acid C
SMILES: O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C[C@@](O)(CC(=O)O)C)CC4)(C)C)CC3)C)C[C@H]2O)(C)CC1)C)C)C
Compound: Microdiplane
SMILES: O([C@@H]1CC2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H]([C@@H](CC[C@H](C(C)C)C)C)CC4)(C)CC3)CC2)(C)CC1)CCCCCCCCCCCCCC
Compound: Dhilirolide C
SMILES: O=C1OC([C@@]23O[C@@H]2C[C@]4([C@@]5(C3=C1)[C@@]6(O[C@@]7(O)[C@@](C5)(C)C(C48C(=O)O[C@H](C87O6)C)=C)C)C)(C)C
Compound: N-fumaryl-L-alanine dimethyl ester
SMILES: O=C(OC)/C=C/C(=O)N[C@H](C(=O)OC)C
Compound: (-)-applanatumol P
SMILES: O=C(OC)[C@]1(O[C@@H](C(=C)CO)CC1)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Palustrisoic acid D
SMILES: O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C[C@@](O)(CC(=O)O)C)CC4)(C)C)CC3)C)CC2)(C)CC1)C)CO)C
Compound: Deoxykasumigamide
SMILES: O=C(O)[C@H](NC(=O)[C@H](NC(=O)C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@H](O)CC1=CC=CC=C1)CC=2C3=C(C=CC=C3)NC2)CCCN=C(N)N)CC4=CC=CC=C4
Compound: Decaspirone E
SMILES: O=C1C=CC2(OC=3C=4C(C=CC3)=CC=CC4O2)[C@H]5[C@H]1[C@@H](OC(=O)C)C=C[C@H]5O
Compound: NF00659B1
SMILES: O=C1OC(=C(C)C(=C1CC2C(=C)CCC3C2(CCC4C3(CCC(OC(=O)/C=C/C=C/C(CC)C)C(O4)(C)C)C)C)O)C
Compound: 1-(5-(1-hydroxypentyl)furan-2-yl)propane-1,2-diol
SMILES: O1C(=CC=C1C(O)CCCC)C(O)C(O)C
Compound: Pestalamine A
SMILES: O=C(OCCCC)C1=C(N)C=CC=C1/C=C\[C@@H](O)[C@H](OC(=O)C=2OC=CC2)C
Compound: Oblongolide M
SMILES: O=C(OC[C@@H]1C[C@@H]2C=C[C@@H]3CO[C@@]([C@@]3([C@H]2CC1)C)(O)C(=O)C)C
Compound: 2,5-Dimethyl-N-(2-phenylethyl)pyrrole
SMILES: N1(C(=CC=C1C)C)CCC2=CC=CC=C2
Compound: Palustrisoic acid E
SMILES: O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)C[C@@](O)(CC(=O)O)C)CC4)(C)C)CC3)C)CC2)(C)CC1)C)CO)C
Compound: Muraymycin D3
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@@H](O[C@@H]3O[C@H](CN)[C@H](C3)O)[C@H](NCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@H]4NC(=NCC4)N)CC(C)C)C(=O)O)[C@H]([C@H]2O)O
Compound: 1-(5-(1-methoxypentyl)furan-2-yl)propane-1,2-diol
SMILES: O1C(=CC=C1C(OC)CCCC)C(O)C(O)C
Compound: (2S)-2-[(2R,3S)-3-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4R,5S,6R)-5-acetyloxy-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetic acid
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O[C@H]5O[C@@H]([C@H](OC)[C@@H](C5)O)C)C)C=C3C=C2C[C@H]([C@@H]1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](OC(=O)C)[C@](C8)(O)C)C)C)C)[C@H](OC)C(=O)O)C
Compound: Aspergiloid G
SMILES: O1C2=C(O)C3=C(CCCC3(C)C)C=4C2=C(C(C)=CC4)[C@H](C1)OC
Compound: N-benzylidene-2-phenylethanamine
SMILES: N(=CC1=CC=CC=C1)CCC2=CC=CC=C2
Compound: Palustrisoic acid F
SMILES: O=C1[C@]2([C@](C=3CC[C@@H]4[C@@](C3C1)(CC[C@H](C4(C)C)OC(=O)C[C@@](O)(CC(=O)OC)C)C)(CC[C@@H]2[C@@H](CCC(=C)[C@@H](C(=O)O)C)C)C)C
Compound: EI-1151-3
SMILES: O=C1C(NC(=O)/C=C/C=C/C=C/CC(C)C)=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@H]3[C@@H]1O3
Compound: Pukeleimide D
SMILES: O=C1N(C(=O)/C=C\2/N(C(=O)[C@](C2)(O)CO)C)CC(=C1)OC
Compound: 1-(5-(1-methoxypent-4-en-1-yl)furan-2-yl)propane-1,2-diol
SMILES: O1C(=CC=C1C(OC)CCC=C)C(O)C(O)C
Compound: 2-methyl-N-(2-phenylethyl)pyrrole
SMILES: N1(C(=CC=C1)C)CCC2=CC=CC=C2
Compound: Isolactarorufin
SMILES: O=C1OC[C@@]23[C@@]1([C@@](O)([C@@H]4[C@@H](CC(C4)(C)C)[C@@H]2OC(=O)C)C)C3
Compound: Palustrisoic acid G
SMILES: O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)C[C@@H]2O)(C)CC1)C)C)C
Compound: (22E)-5alpha-Ergosta-7,22-diene-3beta,5,6alpha-triol 6-palmitate
SMILES: O=C(O[C@H]1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@@]4([C@]1(O)C[C@@H](O)CC4)C)CCCCCCCCCCCCCCC
Compound: 8-o-methylrabelomycin
SMILES: O=C1C2=C(C(=O)C=3C1=C(OC)C=CC3)C=4C(=O)C[C@@](O)(C)CC4C=C2O
Compound: N-(3-methylbutylidene)-2-phenylethylamine
SMILES: N(=CCC(C)C)CCC1=CC=CC=C1
Compound: Penicillinolide A
SMILES: O=C1O[C@H](C[C@H](O)C(=O)C[C@H](CC1)O)CCCCC
Compound: 1-(5-(2-hydroxybutyl)furan-2-yl)-3-methoxybutan-2-OL
SMILES: O1C(=CC=C1CC(O)CC)CC(O)C(OC)C
Compound: 11-hydroxy-9-harzien-3-one
SMILES: O=C1[C@@H]2C([C@]3(CCC(C)=C4[C@]([C@@H]3C2)(C[C@H]4O)C)[C@@H](C1)C)(C)C
Compound: SMTP-1
SMILES: O=C1N(CC2=C1C=C(O)C3=C2OC(C(O)C3)(CC/C=C(/CCC=C(C)C)\C)C)CCO
Compound: Auxarconjugatin C
SMILES: O=C1OC(=CC(=C1C)OC)/C=C/C=C/C=C/C=C/C=2NC=CC2
Compound: Micropeptin 88-N
SMILES: O=C1O[C@@H]([C@H](NC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)CCC)CC(C)C)C(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC3=CC=CC=C3)C)=O)C(C)C)C2=O)O)CC4=CC=C(O)C=C4)C
Compound: N-(2-phenylethyl)pentanamide
SMILES: O=C(NCCC1=CC=CC=C1)CCCC
Compound: Trichaspin
SMILES: O=C1O[C@](C[C@H]2O[C@H]3C=C(CC[C@@H]3[C@H](C2)C)C)(C)C[C@H]1O
Compound: Phomocytochalasin A
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@@]14[C@H](OC(=O)CC)C=C[C@](O)(C[C@H](CC=C[C@H]4[C@H](O)C(=C)[C@H]3C)C)C
Compound: PAX8
SMILES: O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(NCCCC[C@H]1NC(=O)[C@@H](NC(=O)CNC(=O)C[C@H](O)CCCCCCCCCCCCCCC)CCCCN)=O)CCCCN)CCCCN)CCCCN)CCCCN
Compound: Cochliospicin A
SMILES: O=C1C2=C(C(=O)[C@]3([C@]1(CC)C)OC(=O)[C@@H](C3)O)[C@H]([C@@H](C)OC2)C
Compound: Trichaspside A
SMILES: O=C(N[C@H]1[C@H](O[C@H](CO)[C@H]([C@@H]1O)O)O[C@@]2(C=C[C@@H]([C@H](CCC=C(C)C)C)CC2)C)C
Compound: Bicycloalternarene E
SMILES: O=C1C2=C(O[C@](CC/C=C(/CC/C=C(/C(=O)O)\C)\C)(C)[C@H](C2)O)CC[C@H]1O
Compound: Phomoaspardiol
SMILES: OC1=CC=C([C@@H](O)CO)C=C1
Compound: N-(2-furylmethylidene)-2-phenylethylamine
SMILES: O1C(=CC=C1)C=NCCC2=CC=CC=C2
Compound: (-)-(4R)-3,4-dihydro-4,6-dihydroxynaphthalen-1(2H)-one
SMILES: O=C1C2=C(C=C(O)C=C2)[C@H](O)CC1
Compound: 2-(1,1-diallylbut-3-enyl)-5-nonylphenol
SMILES: OC1=C(C=CC(=C1)CCCCCCCCC)C(CC=C)(CC=C)CC=C
Compound: Trichaspside B
SMILES: O=C(N[C@H]1[C@H](O[C@H](CO)[C@H]([C@@H]1O)O)O[C@@]2(C=C[C@@H]([C@H](CCCC(=O)C)C)CC2)C)C
Compound: Emericellene C
SMILES: O=C(O)[C@@]1([C@@H]2C(=CC[C@@H]1CC=C(CCC=C(CC2)C)C)CO)CCC=C(C)C
Compound: 2,4-dichloro-1,9-dihydroxy-3-(hydroxymethyl)-10-methoxydibenzo[b,e]oxepine-6,11-dione
SMILES: ClC1=C2OC(=O)C=3C=CC(=C(C3C(C2=C(O)C(=C1CO)Cl)=O)OC)O
Compound: (2R,3R)-3-chloro-6-hydroxymellein
SMILES: Cl[C@@H]1C2=C(C(=O)O[C@@H]1C)C(O)=CC(=C2)O
Compound: Dothideomycetone A
SMILES: O=C1C(=C(C[C@@H]([C@@]1(O)C)OC(=O)[C@@H]([C@H](O)[C@H](CC)C)C)CC(=O)[C@@H]2[C@@H](O)CCC[C@H]2C)C
Compound: 9-cycloneren-3,7,11-triol
SMILES: O[C@]1([C@H]([C@H]([C@](O)(C/C=C/C(O)(C)C)C)CC1)C)C
Compound: Saponaceolide F
SMILES: O=C/1OC[C@@H](\C1=C\C[C@H]2C(=C)CC[C@H](C2(C)C)C/C=C/3\CO[C@]4(O[C@]5(O)C(C)(C)O[C@]4(CC5)C)CC3)O
Compound: Penicisochroman H
SMILES: O=C1C2=C(C3=C(C=C(C)OC3)C=C2)O[C@@]1(O)C(C)C
Compound: Phomopsuidiol
SMILES: O(C[C@H](O)C1=CC=C(O)C=C1)C
Compound: (R)-5,6-dihydroxymellein
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2O)C
Compound: Taveuniamide H
SMILES: Cl/C=C/C#CCCCC(NC(=O)C)CCCC#C/C=C/Cl
Compound: 11-cycloneren-3,7,10-triol
SMILES: O[C@]1([C@H]([C@H]([C@](O)(CCC(O)C(=C)C)C)CC1)C)C
Compound: Ergosta-4,6,8,22E-tetraen-11beta-OL
SMILES: O[C@H]1C2=C(C=CC=3[C@@]2(CCCC3)C)C4CC[C@@H]([C@]4(C1)C)[C@@H](/C=C/[C@@H](C(C)C)C)C
Compound: (R)-5,7-dichloro-6-hydroxymellein
SMILES: ClC1=C(O)C(Cl)=C2C[C@@H](C)OC(C2=C1O)=O
Compound: Cyclo(13,15-dichloro-L-Pro-L-Tyr)
SMILES: ClC1=C(O)C(Cl)=CC(=C1)C[C@H]2NC(=O)[C@H]3CCCN3C2=O
Compound: Chenopodolan D
SMILES: O1C(=CC(C(=CCO)C)=C2[C@H]1OC(C)=C2OC)C
Compound: Brabetaicicene B
SMILES: O(C[C@]1(O)C2=C[C@@]3(C(=C(C(C)C)C[C@@H]3O)C[C@@H]([C@@H]([C@@H]2CC1)C)O)C)C
Compound: 7,10-epoxycycloneran-3,11,12-triol
SMILES: O1[C@@]([C@H]2[C@@H]([C@@](O)(C)CC2)C)(CC[C@H]1C(O)(CO)C)C
Compound: (2S,3R,4E,6R)-18-hydroxy-4-hydroxyimino-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
SMILES: O=C1NC(O)C=2C1=C3C=4N([C@@H]5O[C@](N6C4C2C7=C6C=CC=C7)([C@H](OC)\C(\C5)=N\O)C)C8=C3C=CC=C8
Compound: Hypocnone A
SMILES: Cl[C@@H]1C(=O)C=C([C@@H]1O)C(O)C
Compound: (2R,3R)-3,5-dichloro-6-hydroxymellein
SMILES: ClC1=C(O)C=C(O)C2=C1[C@@H](Cl)[C@@H](C)OC2=O
Compound: Peniciphenalenin E
SMILES: O=C1OC=2C(O)=CC(=C3C2C1=C(O)C4=C3O[C@H](C4(C)C)C)C
Compound: 7-dehydrobrefeldin A
SMILES: O=C1O[C@@H](CCCC=C[C@@H]2[C@@H]([C@H](C=C1)O)CC(=O)C2)C
Compound: Diaportinol
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2)C[C@@H](O)CO
Compound: Mycinamicin XIII
SMILES: O=C1O[C@H]([C@](O)([C@H]2O[C@H]2C=CC(=O)[C@@H](C[C@H]([C@@H]([C@H](C=C1)C)O[C@@H]3O[C@@H](C[C@@H](C3O)N(C)C)C)C)C)CO[C@@H]4OC([C@H](O)[C@@H]([C@@H]4OC)OC)C)C
Compound: (R)-7-chloro-6-hydroxymellein
SMILES: ClC1=C(O)C=2C(=O)O[C@H](C)CC2C=C1O
Compound: Myxotrilactone A
SMILES: O=C1O[C@@H](C[C@H](O)CCC[C@@H]([C@H](C=C1)O)O)C
Compound: Peniciphenalenin A
SMILES: O=C1C2=C3C(=C(O)[C@@]4(O)C(C)(C)[C@H](CC4=C3C(C2=O)=O)C)C(=C1)C
Compound: Norlichexanthone-6-O-beta-(4-O-methylglucopyranoside)
SMILES: O=C1C2=C(OC3=C1C(=CC(=C3)O[C@@H]4OC([C@H](OC)[C@@H]([C@@H]4O)O)CO)C)C=C(O)C=C2O
Compound: Colisporifungin
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCC)CCC(=O)N)C(=O)NCCC(=O)N[C@@H](C(N[C@H](C(N[C@@H]1CC2=CC=CC=C2)=O)CO)=O)CC=3C4=C(C=CC=C4)NC3)C
Compound: Naphthomycin D
SMILES: O=C1NC2=C(O)C3=C(C(C(=O)C(=C[C@@H]([C@@H](O)[C@H](C=C[C@H](CC=C(C(C[C@@H]([C@H](C=CC=CC=C1C)C)O)=O)C)O)C)C)C)=C(O)C(=C3)C)C(C2=O)=O
Compound: (2Z,6Z)-varie-2,6-diene
SMILES: C1(=C2[C@H]([C@@H]3C(CC[C@@]3(C2)C)(C)C)CCC(=CCC1)C)C
Compound: 8′′-hydroxy-9′′-en-butyrolactone I
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)C[C@H](O)C(=C)C)C(=C1O)C3=CC=C(O)C=C3
Compound: Hawaiinolide A
SMILES: O=C1[C@]2(O)[C@@]([C@H]3CCC([C@H]([C@@H]3C1)C=C)=C)(CC[C@H]4[C@@]2(C(=O)O4)C)C
Compound: Peniciphenalenin B
SMILES: O=C1O[C@](O)(C=2C(O)=CC(=C3C2C1=C4O[C@H](C)C([C@]4(O)C3=O)(C)C)C)C(=O)OC
Compound: Cryptoporic acid A
SMILES: O=C(OC)[C@@H](O[C@H]1C(=C)CC[C@@H]2[C@@]1(CCCC2(C)C)C)[C@H](C(=O)OC)CC(=O)O
Compound: Streptosetin A
SMILES: O=C1[C@@H]2[C@@H](O)C(=CC[C@H]2[C@@](C(O)=C3C(=O)NCC3=O)(C)[C@@H](C1)CC)C
Compound: 2-hydroxy-6-pentadecylcyclohexa-2,5-diene-1,4-dione
SMILES: O=C1C(O)=CC(=O)C=C1CCCCCCCCCCCCCCC
Compound: Armochaetoglobin P
SMILES: O=C1C=2NC([C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)[C@@]5([C@@H]([C@@H]4C=CC[C@@H](C[C@H]1C)C)O5)C)CC=6C7=C(C=CC=C7)NC6)=CC2
Compound: Varicuothiol B
SMILES: SC[C@@]12OO[C@@H]([C@H]1[C@H](OC(=O)C)C)[C@@H](C=C2)O
Compound: Peniciphenalenin C
SMILES: O=C1O[C@](OC)(C=2C(O)=CC(=C3C2C1=C4O[C@H](C)C([C@]4(O)C3=O)(C)C)C)C(=O)OC
Compound: Maridomycin VI
SMILES: O=C1OC(CC2OC2C=CC(O)C(CC(C(C(C(C1)OC(=O)C)OC)OC3OC(C(OC4OC(C(OC(=O)C)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: Sterenin J
SMILES: O=C(OC1=C2C(O[C@@H](C2)C(O)(C)C)=C(C(=O)O)C(=C1)C)C3=C(O)C=C(O)C=C3C
Compound: Tjipanazole L
SMILES: ClC1=CC=2C3=C(C=4NC=5C=CC(=CC5C4C6=C3C(=O)NC6=O)Cl)NC2C=C1
Compound: Varicuothiol A
SMILES: SC[C@@]12OO[C@@H]([C@H]1[C@H](O)C)[C@@H](C=C2)OC(=O)C
Compound: Sucro-neolambertillin
SMILES: O=C1OC=2C=3C(C(O[C@@]4(O[C@](O[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)(CO)[C@H]([C@@H]4O)O)CO)=CC2C=C1C)=C(O)C=CC3
Compound: Teromycin 2
SMILES: O=C1OC23C(C=C(CCC=C(C4C(C(=C1C2=O)O)(C5C=C(CC(C5CC4C)OC6OC(C(OC(=O)C7=C(OC)C=C(OC)C=C7C)C(C6O)O)C)C)C)C)C)(C=C(C(=O)O)C(C3)C)C
Compound: Peniciphenalenin D
SMILES: O=C1C2=C(C(=CC(=C2C(=O)O)O)C)C=3O[C@@H](C(C3C1=O)(C)C)C
Compound: Ceriponol G
SMILES: O1[C@@H](OC)[C@H]2C[C@@H](O)[C@H](C)[C@H]3C(=C2C1)CC(C)(C)C3
Compound: Tjipanazole K
SMILES: ClC1=CC=2C3=C(C=4NC=5C=CC(=CC5C4C6=C3C(=O)NC6)Cl)NC2C=C1
Compound: (2R,3S,4S,5E,7S)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one
SMILES: O=C1O[C@@H]([C@@H](O)[C@@H](O)C=C[C@H](CC1)O)CCCCCCC
Compound: (3S,12S)-7-hydroxy-9-(7-hydroxyoctan-2-yl)-6-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-10-oxa-1,4-diazabicyclo[10.4.0]hexadecane-2,5,11-trione
SMILES: O=C1N2[C@H](C(=O)OC(C(CCCCC(O)C)C)CC(C(C(N[C@H]1CC3=CC=C(OCC=C(C)C)C=C3)=O)C)O)CCCC2
Compound: [(1aR,6aR,7S,7aR)-3,3,6a,7a-tetramethyl-2-oxo-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-7-yl]methyl 6-oxooctadecanoate
SMILES: O=C1C2[C@@]([C@@H](COC(=O)CCCCC(=O)CCCCCCCCCCCC)[C@@]3([C@H]1O3)C)(CCCC2(C)C)C
Compound: Monacyclinone B
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C(O)C=4C3=C(O)C=C(C)C4)[C@@H]5O[C@H]([C@@H](N(C)C)CC5)C
Compound: Tjipanazole M
SMILES: ClC1=CC=2C3=C(C=4NC=5C=CC=CC5C4C6=C3C(=O)NC6=O)NC2C=C1
Compound: Peniciphenalenin F
SMILES: O=C1OC=2C(O)=C3C([C@@H](C)OC3=C4C2C1=C(O)C=C4C)(C)C
Compound: (-)-annularin C
SMILES: O=C1OC(=C(CO)C(=C1)OC)[C@H](O)CC
Compound: Destruxin-Ed1
SMILES: O=C1N(C(C(=O)NCCC(=O)O[C@H](CC(O)CO)C(N2[C@H](C(NC(C(N(C1C(C)C)C)=O)C(CC)C)=O)CCCC2)=O)C)C
Compound: Armochaeglobine B
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3C=CC[C@H](C)C=C([C@H]([C@@H](C1)C(OC)=C)O)C)O4)C)CC=5C6=C(C=CC=C6)NC5
Compound: 2-amino-8-benzoyl-6-hydroxyphenoxazin-3-one
SMILES: O=C1C(N)=CC2=NC=3C=C(C(=O)C4=CC=CC=C4)C=C(C3OC2=C1)O
Compound: Aplojaveediin A
SMILES: O=CC1=C(O)C(=C(CCCCC)C=C1O)C
Compound: Pardinol A
SMILES: O=C(OC)[C@@H](NC(=O)C[C@@](O)(CC(=O)O[C@H]1[C@H](O)C([C@@H]2CCC3=C([C@]2(C1)C)C[C@H](O)[C@]4([C@]3(CC[C@@H]4[C@@H](CC[C@@H](O)C(O)(C)C)C)C)C)(C)C)C)CC5=CC=CC=C5
Compound: Monodictysin A
SMILES: O=C1C2=C(O[C@]3([C@@H]1[C@@H](O)C[C@@H]([C@@H]3O)O)C)C=C(C)C=C2O
Compound: Hydroxysordarin
SMILES: O=C(O)[C@]12C(=C[C@@H]3[C@]1(C[C@H]4[C@H]([C@@]2(C=O)C3)CC[C@H]4C)CO[C@@H]5O[C@@H]([C@@H](OC)[C@H]([C@@H]5O)O)CO)C(C)C
Compound: Asperetide
SMILES: O=C1O[C@@H](CCC=C)C=2C1=C(OC)C=CC2
Compound: Aplojaveediin B
SMILES: O=CC1=C(O)C(=C(CCCCCO)C=C1O)C
Compound: (2R,3S,3′R)-2-hydroxyadonixanthin
SMILES: O=C1C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](O)CC2(C)C)C)\C)\C)/C)/C)C(C)(C)[C@H]([C@@H]1O)O)C
Compound: Pardinol B
SMILES: O=C(OC)[C@@H](NC(=O)C[C@@](O)(CC(=O)O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC[C@@H](O)C(O)(C)C)C)CC4)(C)[C@H](C3)O)C)CC2)(C)C[C@H]1O)(C)C)C)CC5=CC=CC=C5
Compound: Solanioic acid
SMILES: O=C(O)[C@]1(C(=CC[C@@H]1[C@@H](/C=C/[C@@H](C(C)C)C)C)[C@H]2C(=C3C[C@@H](O)CC[C@@]3([C@@H]2C=O)C)C=O)C
Compound: Dihydroaltenuene A
SMILES: O=C1O[C@@]2([C@H](C[C@@H](O)[C@H](C2)O)C=3C1=C(O)C=C(OC)C3)C
Compound: Asperanthone
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@H]([C@@H]4OC(=O)C)C(=C)C)C(=C3)C)C(=CC=C2O)CC(O)C(=C)C
Compound: Aplojaveediin C
SMILES: O=CC1=C(O)C(=C(CCC[C@H](O)CO)C=C1O)C
Compound: Dermocanarin 5
SMILES: O=C1OC2=C(C3=C(O)C4=C(OC)C=C(C=C4C=C3C[C@](C1)(O)C)OC)C(OC)=CC=5C2=C(O)C=6C(=O)C[C@](O)(C)CC6C5
Compound: Pardinol C
SMILES: O=C(OC)[C@@H](NC(=O)C[C@@](O)(CC(=O)O[C@H]1[C@H](O)C([C@@H]2CCC3=C([C@]2(C1)C)C[C@H](O)[C@]4([C@]3(CC[C@@H]4[C@@H](CC[C@@H](O)C(O)(C)C)C)C)C)(C)C)C)[C@@H](O)C5=CC=CC=C5
Compound: 6-Methoxy-8-hydroxyisocoumarin-3-carboxylic acid
SMILES: O=C1OC(C(=O)O)=CC=2C1=C(O)C=C(OC)C2
Compound: Mirabazole B
SMILES: S1C(=NC(=C1)C)[C@]2(N=C([C@]3(N=C([C@]4(N=C(C(C)C)SC4)C)SC3)C)SC2)C
Compound: Cylindropyrone A
SMILES: O=C1OC(/C(=C/[C@H](C/C=C/C=C/C=C/C(=O)O)C)/C)=CC(=C1C)OC
Compound: Aplojaveediin D
SMILES: O=C(O)CCCCC1=C(C(O)=C(C=O)C(=C1)O)C
Compound: Dalienxanthone A
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC(=C3)O)C=C(C(C(O)CO)CO)C=C2OC
Compound: Pardinol D
SMILES: O=C(OC)[C@@H](NC(=O)C[C@@](O)(CC(=O)O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC[C@@H](O)C(O)(C)C)C)CC4)(C)[C@H](C3)O)C)CC2)(C)C[C@H]1O)(C)C)C)[C@@H](O)C5=CC=CC=C5
Compound: Sorangicin B
SMILES: O=C1O[C@H]2C=C[C@H](CC=CCCC=C[C@H](O)C[C@H]3C[C@@H]([C@H]([C@@H](CC=C[C@@H]4O[C@H]5[C@@H](C=CC=CC=C1)O[C@@H]([C@H]4C)C5)O3)C)O)O[C@H]2/C(=C/[C@@H](CCCCC(=O)O)C)/C
Compound: 4-hydroxy-2-methoxyphenyl 6-deoxy-alpha-L-talopyranoside
SMILES: O1[C@@H](OC2=C(OC)C=C(O)C=C2)[C@H](O)[C@H](O)[C@@H]([C@@H]1C)O
Compound: 10′-hydroxyilicicolinic acid D
SMILES: ClC1=C(O)C(=C(O)C(=C1C)C(=O)O)C/C=C(/CC/C=C(/CC[C@H](O)C(O)(C)C)\C)\C
Compound: Aplojaveediin E
SMILES: O=C(OC)CCCCC1=C(C(O)=C(C=O)C(=C1)O)C
Compound: Pregaliellalactone C
SMILES: O=C1O[C@@H](CO)C=C1CCC
Compound: Pardinol E
SMILES: O=C(OC)[C@@H](NC(=O)C[C@@](O)(CC(=O)O[C@H]1[C@H](O)C([C@@H]2CCC3=C([C@]2(C1)C)C[C@H](O)[C@]4([C@]3(CC[C@@H]4[C@@H](CC[C@@H](O)C(O)(C)C)C)C)C)(C)C)C)[C@@H](OC(=O)C)C5=CC=CC=C5
Compound: Cladosporilactam A
SMILES: O=C1N2[C@@H](OCCC(=C1)C)CCC2
Compound: Phomopsinone C
SMILES: O=C1OC2=C(CO[C@H](C2)C[C@@H](O)C)C(=C1)OC
Compound: Aplojaveediin F
SMILES: O=C(O)CCC1=C(C(O)=C(C=O)C(=C1)O)C
Compound: Cylindrolactone A
SMILES: O=C1O[C@H](CCC(=O)C[C@@H](CC1)CC(O)C(=O)O)C
Compound: (-)-lingzhiol
SMILES: O=C1C2=C(O)C=CC(=C2[C@]34[C@H](O)CC[C@]4(C1)C(=O)OC3)O
Compound: Pardinol F
SMILES: O=C(OC)[C@@H](NC(=O)C[C@@](O)(CC(=O)O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC[C@@H](O)C(O)(C)C)C)CC4)(C)[C@H](C3)O)C)CC2)(C)C[C@H]1O)(C)C)C)[C@@H](OC(=O)C)C5=CC=CC=C5
Compound: Lipiarmycin A3
SMILES: ClC1=C(O)C(Cl)=C(CC)C(=C1O)C(=O)O[C@H]2[C@H](O)[C@H](OC)[C@H](OCC=3C(=O)O[C@H]([C@H](O)C)CC=C(C=C([C@H](O[C@@H]4OC([C@@H](OC(=O)C(C)C)[C@@H]([C@@H]4O)O)(C)C)[C@H](C=C([C@H](CC=CC3)O)C)CC)C)C)O[C@@H]2C
Compound: Diasteltoxin A
SMILES: O=C1OC(=C(C)C(=C1)OC)[C@H]2[C@@]3(OC(=O)C=C([C@]3(C)[C@@H]2/C=C/C=C/[C@H]4O[C@H]5O[C@H](CC)[C@@]([C@]5([C@H]4O)C)(O)C)OC)/C=C/C=C/C=C/[C@H]6O[C@H]7O[C@H](CC)[C@@]([C@]7([C@H]6O)C)(O)C
Compound: Ro09-1543
SMILES: O=C(OC1C(OCC(C1OC)C)/C(=C/C=C/C=C/CCC)/C)CNC(=O)C
Compound: Cylindrolactone B
SMILES: O=C1O[C@H](CCC(=O)C[C@@H](CC1)OC)C
Compound: Pardinol G
SMILES: O=C(OC)[C@@H](NC(=O)C[C@@](O)(CC(=O)O[C@H]1[C@H](O)C([C@@H]2CCC3=C([C@]2(C1)C)C[C@H](O)[C@]4([C@]3(CC[C@@H]4[C@@H]5[C@@H](O[C@@H](C(O)(C)C)CC5)O)C)C)(C)C)C)[C@@H](O)C6=CC=CC=C6