MonarchInit/C3PO huggingface dataset:
Compound: Rakicidin G
SMILES: O=C1N(CC(=O)N[C@H](C(=O)O[C@H]([C@@H](C(NC(C=C1)=C)=O)C)C(CCCCCCCCCCCCC)C)C(O)C(=O)N)C
Compound: Nonaprene
SMILES: C1(=CCC(CC=C(C)C)C(C1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)(C)C)C
Compound: Penicidone A
SMILES: O=C1C(=CNC(=C1)/C=C/C)[C@@H]2OC(=O)C=3C2=C(OC)C=C(OC)C3
Compound: Alternatain D
SMILES: O=C1O[C@@]2(C(=C[C@](O)(C[C@H](O)C(=O)O)[C@H](C2)O)C=3C1=C(O)C=C(OC)C3)C
Compound: Penijanthine D
SMILES: O=C(O[C@@H]1[C@]([C@H]2[C@]([C@]3(C=4NC=5C=CC=CC5C4C[C@@H]3CC2)C)(C)CC1)(CC[C@@H](O)C(O)(C)C)C)C
Compound: Rakicidin H
SMILES: O=C1N(CC(=O)N[C@H](C(=O)O[C@H]([C@@H](C(NC(C=C1)=C)=O)C)C(CCCCCCCCCCCCCC)C)C(O)C(=O)N)C
Compound: Peneciraistin A
SMILES: O1[C@@]2(OCC=3C(O)=C(C)C(=CC3C2)O)[C@@H](O)CC[C@@H]1C
Compound: Drosophilin D
SMILES: O=C(O)C/C=C\C#CC#CC=C=C
Compound: 8-Chloro-9-hydroxy-8,9-deoxyasperlactone
SMILES: ClC(C=1C(=O)O[C@H](C1)[C@@H](O)C)C(O)C
Compound: Psathergosterol A
SMILES: O=C1C=C2[C@](O)(CC[C@]3([C@@]2(O)CC[C@@H]3[C@@H](CC[C@@H](C(O)(C)C)C)C)C)[C@@]4([C@@H]1C[C@@H](O)CC4)C
Compound: Penijanthoid A
SMILES: O=C1C=C2C=CC3=C4[C@]([C@@H](/C(=C/[C@H]5OC(=O)[C@@H]([C@@H]5C)C)/C)CC4)(C)CC[C@@H]3[C@@]2(C)CC1
Compound: Blennolide I
SMILES: O=C1C2=C(O)C(C3=C(O)C=4C(O)=C5C(=O)C[C@@H](C)[C@H]([C@@]5(C(=O)OC)OC4C=C3)O)=CC=C2O[C@](C1)(C(=O)OC)[C@H]6OC(=O)C[C@@H]6C
Compound: Psychrophilin B
SMILES: O=[N+]([O-])[C@@H]1C(=O)N[C@H](C(=O)NC=2C=CC=CC2C(N3C=C(C1)C4=C3C=CC=C4)=O)C(C)C
Compound: Rakicidin I
SMILES: O=C1N(CC(=O)N[C@H](C(=O)O[C@H]([C@@H](C(NC(C=C1)=C)=O)C)C(CCCCCCCCCCCCCCC)C)C(O)C(=O)N)C
Compound: Vibratilicin
SMILES: O=C(NO)C(N(C)C)CCOCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/C/C=C/CCCCC
Compound: Psathergosterol B
SMILES: O=C1C=C2[C@](O)(CC[C@]3([C@@]2(O)CC[C@@H]3[C@@H](CC[C@@H](C(O)(C)C)C)C)C)[C@@]4([C@@H]1C[C@H](O)CC4)C
Compound: Penijanthoid B
SMILES: O=C1C=C2C=CC3=C4[C@]([C@@H](/C(=C/[C@H]5OC(=O)[C@H]([C@@H]5C)C)/C)CC4)(C)CC[C@@H]3[C@@]2(C)CC1
Compound: (+)-ganotheaecolumol G
SMILES: O=C1O[C@@](OC)(C2=C(O)C=CC(=C2)O)C=C1CC/C=C(/CC/C=C(/C(=O)O)\C)\C
Compound: Sclerotiotide E
SMILES: O=C1N([C@H](C(=O)NCCC[C@@H](C(N([C@H]1C(C)C)C)=O)NC(=O)/C=C/C=C/C=C\C)C)C
Compound: Halichoblelide C
SMILES: O=C1O[C@@H]([C@H](C=CC=CC(=O)O[C@@H]([C@H](C=CC=C1)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)O)C)C)OC)C)C)C)[C@H]([C@@H](O)[C@@H]([C@@]4(O[C@@H]([C@@H](CC)[C@@H](C4)OC)C)OC)C)C
Compound: Psathergosterol C
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2C[C@H](O)[C@@H]3[C@@H](CC[C@@H](C(O)(C)C)C)C)C)[C@@]4([C@H]1C[C@H](O)CC4)C
Compound: (3-acetyloxy-10-ormyl-9-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepin-2-yl) acetate
SMILES: O=C1OC2=C(C=C(OC(=O)C)C(=C2C)OC(=O)C)OC3=C1C(=CC(=C3C=O)OC)C
Compound: (+)-eurotinoid A
SMILES: O=C/1N[C@]2(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@@H](C=C[C@@H](C2)CCC5=C(O)C=C(CC=C(C)C)C(=C5C=O)O)C
Compound: (-)-ganotheaecolumol G
SMILES: O=C1O[C@](OC)(C2=C(O)C=CC(=C2)O)C=C1CC/C=C(/CC/C=C(/C(=O)O)\C)\C
Compound: Cyclo(2-hydroxy-Pro-R-Leu)
SMILES: O=C1N[C@@H](C(=O)N2C1(O)CCC2)CC(C)C
Compound: Arohynapene A
SMILES: O=C(O)/C=C/C=C/C1=C2C(=CC=C1C)C(O)C(C)CC2C
Compound: Vochysiamide A
SMILES: O=C(O)/C=C\NC(=O)[C@H](O)C(C)C
Compound: Palmaerin A
SMILES: ClC1=C(OC)C=2C(=O)O[C@H](C)CC2C(=C1O)Cl
Compound: (-)-eurotinoid A
SMILES: O=C/1N[C@@]2(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@H](C=C[C@H](C2)CCC5=C(O)C=C(CC=C(C)C)C(=C5C=O)O)C
Compound: Photobactin
SMILES: O=C(NCCCCNC(=O)C1N=C(C2=C(O)C(O)=CC=C2)OC1C)C3=C(O)C(O)=CC=C3
Compound: Vochysiamide B
SMILES: O=C1NC(C(O)C)COC(C=C1C(C)C)=O
Compound: A83543D
SMILES: O=C1C2=C[C@H]3[C@H]4[C@@H](C[C@H](C4)O[C@@H]5O[C@H]([C@H](OC)[C@H]([C@H]5OC)OC)C)C(=C[C@H]3[C@@H]2CC(=O)O[C@@H](CC)CCC[C@@H]([C@H]1C)O[C@@H]6O[C@@H]([C@@H](NCC)CC6)C)C
Compound: (+)-ganotheaecolumol H
SMILES: O=C1O[C@@](OC)(C2=C(O)C=CC(=C2)O)C=C1CC/C=C(/CC/C=C(/C=O)\C)\C
Compound: Phomoeuphorbin B
SMILES: O=C1C=2C(=C[C@H]([C@]1(O)C)O)C[C@H](/C=C/C=C/C)OC2
Compound: (+)-eurotinoid B
SMILES: O=C/1N[C@@]2(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@@H](C=C[C@@H](C2)CCC5=C(O)C=C(CC=C(C)C)C(=C5C=O)O)C
Compound: Thelephantin J
SMILES: O=C(OC1=C(O)C(=C(OC(=O)C2=CC=CC=C2)C(=C1C3=CC=C(O)C=C3)O)C4=CC=C(O)C=C4)C5=CC=CC=C5
Compound: (-)-ganotheaecolumol H
SMILES: O=C1O[C@](OC)(C2=C(O)C=CC(=C2)O)C=C1CC/C=C(/CC/C=C(/C=O)\C)\C
Compound: (-)-applanatumol I
SMILES: O=C1OC[C@@]2([C@]1(CC[C@@H]2O)CC(=O)C3=C(O)C=CC(=C3)O)C(=O)O
Compound: (12R)-7-chloro-12-hydroxy-20-methoxy-N,3-dimethyl-11-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,14,16,18-octaene-12-carboxamide
SMILES: ClC1=CC=2C=3C(=O)[C@](O)(N4C=5C=CC=CC5C(=C4C3N(C2C=C1)C)OC)C(=O)NC
Compound: Simplicildone J
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3COCCC4=CC=CC=C4)O)C
Compound: (-)-eurotinoid B
SMILES: O=C/1N[C@]2(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@H](C=C[C@H](C2)CCC5=C(O)C=C(CC=C(C)C)C(=C5C=O)O)C
Compound: Paraherquamide J
SMILES: O=C1N([C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)NC5=C4C=CC6=C5OC=CC(O6)(C)C)C[C@]17N(C(=O)[C@@H](C7)C)C3)C
Compound: Ganotheaecolumol I
SMILES: O=C(O)/C(=C\C(=O)C1=C(O)C=CC(=C1)O)/CC/C=C(/CC/C=C(\CO)/C)\C
Compound: Simplicildone K
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3CC4=C(O)C(=C5O[C@]6(OC[C@@H]([C@H]6CC5=C4C)C)C)C)O)C
Compound: Cyathin B3
SMILES: O=CC1=CC2(O)[C@@]3(CC[C@@]4(C([C@H]3C[C@H]1O2)=C(C(C)C)CC4)C)C
Compound: Palmarumycin P1
SMILES: O=C1C=CC2(OC=3C=4C(C=CC3)=CC=CC4O2)[C@@H](C1)[C@@H]5OC(=O)C[C@@H]5OC
Compound: (+)-eurotinoid C
SMILES: O=C/1N[C@@]2(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@@H](C=C[C@@H](C2)C)CCC5=C(O)C=C(CC=C(C)C)C(=C5C=O)O
Compound: Ganotheaecolumol J
SMILES: O=C(O)/C(=C\C(=O)C1=C(O)C=CC(=C1)O)/CC/C=C(/CC/C=C(/C=O)\C)\C
Compound: Mabetaarinolin C
SMILES: O=C(O)/C(=C/[C@@H](O)C[C@]1([C@@H]2C(=C)CC[C@H]1C2)CO)/C
Compound: Globosuxanthone E
SMILES: O=C1C2=C(OC3=C1[C@@](O)(C(=O)OC)[C@@H](O)C(=C3)C)C=CC=C2O
Compound: Pentalenolactone A
SMILES: O=C1OC[C@H]2C(C(=O)O)=C[C@H]3[C@]2([C@]14OC4)CC(C)=C3C
Compound: Neovasifuranone B
SMILES: O=C1C(=C(CC)O[C@]1(/C=C(/[C@@H](O)[C@H](CC)C)\C)C)CO
Compound: (-)-eurotinoid C
SMILES: O=C/1N[C@]2(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@H](C=C[C@H](C2)C)CCC5=C(O)C=C(CC=C(C)C)C(=C5C=O)O
Compound: (-)-ganotheaecolumol A
SMILES: O=C1C2=C(O[C@](C1)(C(=O)O)CC/C=C(/CC/C=C(/CO)\C)\C)C=CC(=C2)O
Compound: Sch-65676
SMILES: O=CC1=C(C=C(O)C2=C1O[C@]3([C@@]4([C@H](C([C@H](O)CC4)(C)C)C[C@@H]([C@H]3C)O)C)C2)C=O
Compound: 5-O-Methylsclerone
SMILES: O=C1C2=C(C(OC)=CC=C2)[C@@H](O)CC1
Compound: Cordycerebroside B
SMILES: O=C(NC(C(O)/C=C/CC(C/C=C(/CCCCCC)\C)CC)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)C(O)/C=C/CCCCCCCCCCCC
Compound: (2R,3S,4R)-10-De-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin D
SMILES: O=C1NC[C@@H](O)[C@@H]2[C@H]1N=C(N[C@@H]3O[C@@H]([C@H](O)[C@H]([C@H]3NC(=O)C[C@H](NC(=O)C)CCCNC(=O)C[C@H](N)CCCNC(=O)C[C@H](N)CCCN)O)COC(=O)N)N2
Compound: Ganotheaecolumol K
SMILES: O=C(O)/C(=C\C/C=C(/CC/C=C(/CO)\C)\C)/CC(=O)C1=C(O)C=CC(=C1)O
Compound: Borrelidin J
SMILES: O=C(O)[C@H]1[C@H]([C@@H](O)C/C=C/C=C(/C#N)\[C@H](O)[C@H](C[C@@H](C[C@@H](C[C@@H]([C@@H](O)CC(=O)O)C)C)C)C)CCC1
Compound: Bipolamide A
SMILES: O=C(N[C@@H]([C@](O)(C(=O)C)C)CO)/C=C/C=C/C(=C/C(CC)C)/C
Compound: 2,3-di-O-dihydro-14,15-geranylgeranyl glycerol
SMILES: O([C@@H](COC/C=C(/CC/C=C(/CC/C=C(/CCCC(C)C)\C)\C)\C)CO)C/C=C(/CC/C=C(/CC/C=C(/CCCC(C)C)\C)\C)\C
Compound: Fendleric acid B
SMILES: O=C(O)C1=C(OC)C(=C(OC[C@H]2[C@](O)(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C)C4=C1[C@@H](O[C@@H]4OC)OC)C
Compound: Isovanillobiocin
SMILES: ClC1=C2OC(=O)C(NC(=O)C3=CC(OC)=C(O)C=C3)=C(C2=CC=C1OC4OC(C(OC)C(C4OC(=O)C=5NC(C)=CC5)O)(C)C)O
Compound: (-)-ganotheaecolumol B
SMILES: O=C1C2=C(O[C@](C1)(C(=O)O)CC/C=C(/CC/C=C(\CO)/C)\C)C=CC(=C2)O
Compound: Borrelidin K
SMILES: O=C(OC)[C@H]1[C@H]([C@@H](O)C/C=C/C=C(/C#N)\[C@H](O)[C@H](C[C@@H](C[C@@H](C[C@@H]([C@@H](O)CC(=O)O)C)C)C)C)CCC1
Compound: Thalabetaospiramide C1
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCC)CC2=CC=C(O)C=C2)C(C)C)CC3=CC=C(O)C=C3)C)C(C)C
Compound: Fendlerinine G
SMILES: O=C1NCC=2C1=C(C(OC)=C(C)C2OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C(=O)O
Compound: Xylaguaianol C
SMILES: O[C@]1([C@@H]2[C@@H]([C@@H](C)CC2)C[C@H](CC1)C(O)(CO)C)C
Compound: Terrecyclic acid A
SMILES: O=C1C(=C)[C@@]23[C@@H](C(=O)O)CC[C@@H]([C@@H]2C1)C(C3)(C)C
Compound: (+/-)-ganotheaecolumol C
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@@]1(O)CCC/C=C(/CC/C=C(/CO)\C)\C
Compound: 7-methoxy-2,3-dimethylchromone-4-one
SMILES: O=C1C2=C(OC(=C1C)C)C=C(OC)C=C2
Compound: Malformin A2
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)CC(C)C)C(C)C
Compound: Fendleric acid C
SMILES: O=C1OCC=2C1=C(C(OC)=C(C)C2OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C(=O)O
Compound: [(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
SMILES: O=C(O[C@H]1C2=C(C=3C=4C(C(O)=C5C3[C@H](O)[C@H](C)OC5)=C(OC)C=C(C4)OC)C=6C(=C(OC)C=C(C6)OC)C(=C2CO[C@H]1C)O)C
Compound: Arthoniafurone A
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C=3C1=C(OC3)C(=O)C
Compound: (+/-)-ganotheaecolumol D
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@@]1(O)CCC/C=C(\CC/C=C(/CO)\C)/C
Compound: Aspergimarin B
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=CC2O)CCC[C@@H](OC(=O)CCC(=O)O)C
Compound: Fendlerin D
SMILES: O=C1O[C@@H](OC)C=2C1=C(OC)C(=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C2C5O[C@]6([C@@H]([C@@]7([C@H](C(CCC7)(C)C)CC6)C)CO5)C)C
Compound: Postinin B
SMILES: O[C@@]1([C@@H]2[C@]3([C@@H](O)C[C@H]([C@@H]2[C@H]3CC1)C(C)C)CO)C
Compound: (+)-ganotheaecolumol E
SMILES: O=C\1OC(C2=C(O)C=CC(=C2)O)=C/C1=C/C=C/[C@@]3(O[C@@H](C(O)(C)C)CC3)C
Compound: Gerronemin F
SMILES: OC1=C(O)C=CC=C1CCCC/C=C\C/C=C\CCCCCCCC2=C(O)C(O)=CC=C2
Compound: Murayalactone
SMILES: O=C1OC2=C(O)C=CC=C2C=3C1=C(O)C(=C(C(=O)CCC)C3)C
Compound: Fendleryl E
SMILES: O(C1=C(O)C(=C(O)C(=C1C2=CC=C(O)C=C2)OC)C3=CC=C(O)C=C3)C
Compound: Aspergimarin C
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=CC2O)CCC[C@@H](OC(=O)C[C@](O)(CCO)C)C
Compound: Mescengricin
SMILES: O=C1OC(CC(=C1C2=NC=3NC=4C=C(O)C=CC4C3C(=C2)C(=O)OC[C@@H](O)CO)O)C
Compound: (-)-ganotheaecolumol E
SMILES: O=C\1OC(C2=C(O)C=CC(=C2)O)=C/C1=C/C=C/[C@]3(O[C@H](C(O)(C)C)CC3)C
Compound: Applanatumol J
SMILES: Cl[C@]12[C@](C(=O)OC1)(CC[C@@H]2O)CC(=O)C3=C(O)C=CC(=C3)O
Compound: Ramulosin
SMILES: O=C1O[C@@H](C[C@H]2C1=C(O)CCC2)C
Compound: Aspergimarin D
SMILES: O=C1O[C@@H](CC=2C1=C(OC)C(OC)=CC2)CCC[C@@H](O)C
Compound: Fendleral A
SMILES: O=C1O[C@H](OC)C=2C1=C(OC)C(=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C2C=O)C
Compound: (-)-ganotheaecolumol F
SMILES: O=C1O[C@H](C2=C(O)C=CC(=C2)O)C=C1CC/C=C(/CCC(=O)C(C)C)\C
Compound: 3,5-dimethoxydihydrofusarubin D
SMILES: O=C1C2=C(O)C=C(OC)C(=C2[C@@H](OC)[C@@H]3[C@@H]1CO[C@](C3)(OC)C)O
Compound: Diffractione A
SMILES: O=C1OC2=C(C(O)=C3C(=O)O[C@@H](C3=C2C)OCC)OC4=C1C(=CC(=C4C=O)O)C
Compound: Fendleral B
SMILES: O=C1O[C@@H](OC)C=2C1=C(OC)C(=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C2C=O)C
Compound: Microginin T2
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)O)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)[C@H]3N(C(=O)[C@@H](NC(=O)C(O)C(N)CCCCCCC)C)CCC3
Compound: D,L-2-amino-3(cis),5-hexadienoic acid
SMILES: O=C(O)[C@@H](N)/C=C\C=C
Compound: Rosellin A
SMILES: O=C1N2C(C(=O)NC1=CC(=O)C3=C(N)C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)=CC(=C3)O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)=CCC[C@@H]2OC(=O)C
Compound: GE 2270 T
SMILES: S1C2=NC(=C1COC)C(=O)NCC(=O)NC(C=3SC=C(N3)C=4SC=C(N4)C5=C(C6=NC(C(NC(C7=NC(C(NC2C(C)C)=O)=C(S7)C)CC(=O)NC)=O)=CS6)C=CC(=N5)C=8SC=C(N8)C=9OC=C(N9)C(=O)N%10C(C(=O)N)CCC%10)C(O)C%11=CC=CC=C%11
Compound: Aspergimarin E
SMILES: O=C1O[C@@H]([C@@H](O)C=2C1=C(O)C=CC2)CCC[C@@H](O)C
Compound: Fendlerin A
SMILES: O=C1O[C@@H](OC)C=2C1=C(OC)C(=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C2C(OC)OC)C
Compound: Rosellin B
SMILES: O=C1N2C(C(=O)NC1=CC(=O)C3=C(N)C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)COC(=O)C)=CC(=C3)O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)=CCC[C@@H]2OC(=O)C
Compound: Hebelomic acid H
SMILES: O=C(OC)C(NC(=O)CC(O)(CC(=O)O[C@H]1[C@H](OC(=O)C)C(C2CCC3=C([C@]2(C1)C)C[C@H](O)[C@]4([C@]3(CC[C@@H]4[C@@H]5C(O[C@@H](C(O)(C)C)CC5)O)C)C)(C)C)C)C(C)C
Compound: Aspergimarin F
SMILES: O=C1O[C@@H](CC=2C1=C(O)C(O)=CC2)CCCC(=O)C
Compound: Cytosporone I
SMILES: O=C(C1=C(O)C=C(O)C=C1CC(=O)OCC)C2OC2/C=C/CCC
Compound: 15-hydroxy-T-muurolol
SMILES: O[C@@]1([C@@H]2[C@@H](C=C(CO)CC2)[C@H](C(C)C)CC1)C
Compound: Fendlerin B
SMILES: O=C1O[C@H](OC)C=2C1=C(OC)C(=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C2C(OC)OC)C
Compound: blennolide L
SMILES: O=C1C2=C(O[C@@]3([C@]1(O)C(=O)C=C(OC)[C@H]3O)C)C=C(C)C=C2O
Compound: Trichobotrysin A
SMILES: O=C/1N([C@H](C(CC)C)C(\C1=C(\O)/[C@@H]2[C@H](C(=C[C@H]3[C@H]2[C@H](CCC3)C)C)[C@@]4(O[C@H]4C)C)=O)C
Compound: Terricolyne
SMILES: O(C1=CC=C(CO)C=C1)C[C@@H](O)C#C
Compound: 11aR-stealthin D
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@]3(C1=C(N)C=4C=C(C)C=C(C34)O)CC(=O)C
Compound: Fendleral C
SMILES: O=C1OC(O)C=2C1=C(OC)C(=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C2C=O)C
Compound: Blennolide M
SMILES: O=C1C2=C(O[C@]3([C@@]1(O)C(=O)C=C(OC)[C@H]3O)C)C=C(C)C=C2O
Compound: Micropeptin 88-B
SMILES: O=C1O[C@@H]([C@H](NC(=O)CCC(NC(=O)[C@@H](NC(=O)CCC)CC2=CC=C(O)C=C2)C(=O)O)C(=O)N[C@H](C(=O)NC3CC[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)C(C)C)C3=O)O)CCC(=O)O)C
Compound: PAX1'
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)CCCCCCCCCCC)CCCCN)=O)CCCCN)CCCCN)CCCCN)CCCCN
Compound: Blennolide N
SMILES: O=C1C2=C(O[C@]3(C1=CCC[C@@H]3O)C)C=C(CO)C=C2O
Compound: Fendlerin C
SMILES: O=C1OC(O)C=2C1=C(OC)C(=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C2C(=O)OC)C
Compound: 11aS-stealthin D
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@@]3(C1=C(N)C=4C=C(C)C=C(C34)O)CC(=O)C
Compound: (E)-Dhb-microcystin-HilR
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(NC([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[C@H](CC)C)C
Compound: Aspereline B
SMILES: O=C(N1[C@@H](CCC1)CO)C(NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C)C)(C)C)C(C)C)(C)C)[C@H](CC)C)(C)C)(C)C)C)(C)C
Compound: Mycosporine-2-glycine
SMILES: O=C(O)CN=C1C(OC)=C(NCC(=O)O)C[C@](C1)(O)CO
Compound: Aspergiside A
SMILES: O=C(OC1=C(C(O)=CC(=C1)/C(=C/C)/C)C)C2=C(O)C=C(O)C=C2C
Compound: methyl dichloroasterrate
SMILES: ClC1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C(=C(O)C(=C1C)Cl)C(=O)OC
Compound: Fendlerol A
SMILES: O=C1O[C@H](OC)C=2C1=C(OC)C(=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C2CO)C
Compound: Terpendole A
SMILES: O1C([C@@H]2O[C@H]3[C@]4([C@]5(O)[C@@]([C@@]6(C=7NC=8C=CC=CC8C7C[C@H]6CC5)C)(C)CC3)[C@H]([C@H]2O[C@H]1C9OC9(C)C)O4)(C)C
Compound: 11aR-stealthin E
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@]3(C1=C(N)C=4C=C(C)C=C(C34)O)CC(=O)CC
Compound: Stigonemapeptin
SMILES: O=C/1N[C@@H]2C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(O[C@@H]([C@@H](C(N\C1=C\C)=O)NC(=O)[C@@H](NC(=O)[C@H]3N(C=O)CCC3)CCC(=O)N)C)=O)C(C)C)CC4=CC=C(O)C=C4)C)CC5=CC=CC=C5)[C@H](O)CC2
Compound: Aspergiside B
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1)/C(=C/C)/C)C)C2=C(O)C=C(O)C=C2C
Compound: Isoarthothelin
SMILES: ClC1=C2OC3=C(C(O)=C(Cl)C(=C3)O)C(C2=C(C)C(=C1O)Cl)=O
Compound: Oblongolide F
SMILES: O=C1OC[C@@H]2[C@]1([C@@H]3[C@@H](C=C2)C[C@@H](CO)CC3)C
Compound: 11aS-stealthin E
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@@]3(C1=C(N)C=4C=C(C)C=C(C34)O)CC(=O)CC
Compound: Fendlerol B
SMILES: O=C1O[C@@H](OC)C=2C1=C(OC)C(=C(OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C2CO)C
Compound: Aspergiside C
SMILES: O=C1O[C@](CC)(C)C=2C1=C(O)C(=C(OC(=O)C3=C(O)C(=C(O)C=C3/C(=C/C)/C)C)C2)C
Compound: Neocarzilin B
SMILES: ClC(Cl)(Cl)C(=O)/C=C(\O)/C=C/C=C/C=C/C(C)C
Compound: Sekothrixide
SMILES: O=C1OC(C(C(O)C(C(O)C(C(O)CC)C)C)C)CC=C(CC(C)CC(CC(C(C1)=O)C)C)C
Compound: A-396-I
SMILES: O1C2(OC3C(OC(C(C3O2)O)CO)OC4C(O)C(N)CC(C4O)N)C(O)C(O)C(C1C(N)CO)O
Compound: Fendleric acid A
SMILES: O=C(O)C1=C(OC)C(=C(OC[C@H]2[C@](O)(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C)C4=C1[C@H](O[C@H]4OC)OC)C
Compound: Rubetaulanobiline A
SMILES: O=C1OCC=2C1=C[C@@H]([C@H]3CC(C[C@]3(C2)O)(C)C)C
Compound: 11aS*, 13R*-stealthin F
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@]3(C1=C(N)C=4C=C(C)C=C(C34)O)[C@@H](C(=O)C)C
Compound: Aspergisidone
SMILES: O=C1OC2=C(C(=C(C(=O)O)C(=C2C)O)/C(=C/C)/C)OC3=C1C(/C(=C/C)/C)=CC(=C3C)O
Compound: Aspergiloid D
SMILES: O[C@@H]1C2=C[C@H](O)[C@H]3C(CC[C@H]([C@@]3([C@H]2CC[C@@]1(C=C)C)C)O)(C)C
Compound: Pleurospiroketal D
SMILES: O=C1[C@]2(OC(C1)(C)C)O[C@@H]3[C@@H](O)[C@](O)(C)CCC3=C2C
Compound: 3-hydroxy-6-methoxy-3-(2-oxopropyl)-N-methyl-2-oxindole
SMILES: O=C1N(C=2C=C(OC)C=CC2[C@]1(O)CC(=O)C)C
Compound: 11aR*, 13S*-stealthin F
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@@]3(C1=C(N)C=4C=C(C)C=C(C34)O)[C@H](C(=O)C)C
Compound: Halovir B
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)CCC(=O)N)C)CC(C)C)C[C@H](C1)O)C(NC(=O)CCCCCCCCCCCCC)(C)C
Compound: Abeo-nodulisporisteroid A
SMILES: O=C1C(=C([C@]2(CC[C@]3([C@H](C2=C1)CC[C@@H]3C(=O)C)C)CCC(=O)O)C)[C@@H](O)C
Compound: Cytosaminomycin D
SMILES: O=C1N=C(NC(=O)/C(=C/C)/C)C=CN1[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](N(C)C)[C@@H]([C@H]3O)O)C)[C@@H](C2)O)C
Compound: Chrondramide 11
SMILES: ClC1=C(OC2OC(O)C(O)C(C2C(=O)O)O)C=CC(=C1)C3NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](C)CC(=C[C@@H]([C@H](OC([C@H]3OC)=O)C)C)C)C)C)CC=4C5=C(C=CC=C5)NC4
Compound: 5-chloro-3-hydroxy-6-methoxy-3-(2-oxopropyl)-N-methyl-2-oxindole
SMILES: ClC1=C(OC)C=C2N(C)C([C@@](C2=C1)(O)CC(=O)C)=O
Compound: 11aS*, 13S*-stealthin G
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@]3(C1=C(N)C=4C=C(C)C=C(C34)O)[C@H](C(=O)C)C
Compound: Arthrobacilin B
SMILES: O=C1OCC2OC(O[C@@H](CC(=O)OCC3OC(O[C@@H](CC(OCC4OC(O[C@@H](C1)CCCCCCCCCCC)C(O)C(O)C4O)=O)CCCCCCCCC)C(O)C(C3O)O)CCCCCCCCC)C(O)C(C2O)O
Compound: Nodulisporisteroid M
SMILES: O=C1[C@H]([C@@](C=2CC[C@]3([C@H](C2C1)CC[C@@H]3C(=O)O)C)(CCC(=O)O)C)[C@@H](O)CO
Compound: Calocerin A
SMILES: Cl/C=C(\C=1OC=2C=CC(=CC2C1)C(=O)N)/C
Compound: Ficifuranone B
SMILES: O=C1OCC(=C1C)CCC(=O)O
Compound: 11aR*, 13R*-stealthin G
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@@]3(C1=C(N)C=4C=C(C)C=C(C34)O)[C@@H](C(=O)C)C
Compound: 4-hydroxy-6-(2-hydroxy-2-phenyl-1-methylethyl)-3-methyl-2H-pyran-2-one
SMILES: O=C1OC(=CC(=C1C)O)[C@@H]([C@H](O)C2=CC=CC=C2)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: Antimycin A14
SMILES: O=C1O[C@H]([C@H](OC(=O)CCC(CC)C)[C@@H](CCC(C)C)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Nodulisporisteroid Q
SMILES: O=C1[C@H]([C@@](C=2CC[C@]3([C@H](C2C1)CC[C@@H]3C(=O)CO)C)(CCC(=O)O)C)[C@@H](O)C
Compound: Mycemycin C
SMILES: ClC1=C(C=2OC3=C(C=C(Cl)C=C3)C(NC2C(=C1)C(=O)OC)=O)C
Compound: 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid
SMILES: O=C(O)C1=C(C(OC)=C(C)C(=C1C)O)C
Compound: Nitrosporeunol H
SMILES: O=C1C2=C(C=3C=4C(O[C@@](C3)(CC/C=C(/CCC=C(C)C)\C)C)=C(C)C=C(C4C2/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C(=O)C=C1C
Compound: Coumabiocin C
SMILES: O=C1OC2=C(C=CC(=C2C)O[C@@H]3OC([C@H](OC)[C@H]([C@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC5=C(OC(C)(C)CC5)C=C4)O
Compound: Formosusin B
SMILES: O=C1N(C(=O)CCC=CC(=CC(=O)CCCC)C)CCC1
Compound: Colletotric B
SMILES: O=C(OC1=C(C(=C(C(=O)OC)C(=C1)O)C)C)C2=C(C(OC(=O)C3=C(O)C=C(O)C=C3C)=C(C)C(=C2C)OC)C
Compound: Nodulisporisteroid N
SMILES: O=C(OC)CC[C@@]1(C2=C([C@H]3[C@]([C@@H](C(=O)C)CC3)(C)CC2)CC[C@H]1[C@@H](O)CO)C
Compound: Pestaloficiol H
SMILES: O=C1C2=C(OC(C1)(C)C)/C(=C\C=C(C)C)/[C@@H](O)[C@H](C2)O
Compound: Terreprenphenol A
SMILES: O=C(C1=CC(=C(O)C=C1)CC=C(C)C)CO
Compound: Lyngbioic acid
SMILES: O=C(O)CC[C@H]1[C@H](CCCCCCC)C1
Compound: But-2,3-dienyl ether of p-hydroxycinnamic acid
SMILES: O=C(O)/C=C/C1=CC=C(OCC=C=C)C=C1
Compound: Nodulisporisteroid O
SMILES: O=C(O)CC[C@@]1(C2=C([C@H]3[C@]([C@@H](C(=O)C)CC3)(C)CC2)CC([C@H]1[C@@H](O)C)O)C
Compound: Gageopeptide A
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCC(CC)C)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C
Compound: Clavatustide C
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1C(CC)C)=O)CC(C)C)=O)CC(C)C)CC(C)C)C(CC)C
Compound: Terreprenphenol B
SMILES: O=C(O)C1=CC(=C(O)C=C1)C[C@H]2OC2(C)C
Compound: Colletotric C
SMILES: O=C(OC1=C(C(=C(C(=O)OC)C(=C1)O)C)C)C2=C(C(OC)=C(C)C(=C2C)O)C
Compound: Viridobrunnine A
SMILES: O=C1C(NC(=O)C)=CC2=NC=3C=C(COC(=O)C)C=CC3OC2=C1
Compound: Nodulisporisteroid P
SMILES: O=C(O)CC[C@@]1(C2=C([C@H]3[C@]([C@@H](C(=O)C)CC3)(C)CC2)C[C@H]([C@H]1CO)O)C
Compound: Calpinactam
SMILES: O=C1NCCCC[C@@H]1NC(=O)C(NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](N)CC2=CC=CC=C2)CC(C)C)CC=3NC=NC3)CCC(=O)O)[C@H](CC)C
Compound: Fumigatoside D
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H](NC([C@@H]2C[C@]4(O)C5=C(C=CC=C5)N6[C@@H]4N([C@@H]7O[C@@H]([C@@H](O)[C@@H]([C@H]7O)O)CO)[C@@H](C)C6=O)=O)C
Compound: Chaetochromone D
SMILES: O=C1C2=C(OC=C1CCC(=O)C)C=C(O)C(=C2)O
Compound: Terreprenphenol C
SMILES: O=CC1=CC(=C(O)C=C1)C[C@H]2OC2(C)C
Compound: Spirangien M
SMILES: O=C(O)C[C@H](OC)\C=C/C=C\C=C/C=C/C=C\[C@@H]([C@H](O)[C@@H]([C@H]1O[C@]2(O[C@@H]([C@H](C)[C@@H](C2)OC)[C@@H]([C@@H](O)[C@H](C/C(=C/CC)/C)C)C)[C@@H](O)C[C@@H]1C)C)C
Compound: Aflastatin A
SMILES: O=C\1N(C(C)C(/C1=C(\O)/C(=C/C(CC(CC(O)C(O)C(C(O)C(C(O)C(C(O)CC(O)C(C(O)C(C(O)CC(O)CC(O)CC(O)C(O)C(O)C(O)C(O)C[C@H]2O[C@](O)([C@@H](O)[C@H]([C@@H]2O)O)CC(O)CCCCCCCCC)C)C)C)C)C)C)C)/C)=O)C
Compound: Actinomycin D1
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C3NC4=C(C(=CC=C4C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N6[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]5C)=O)C(C)C)C)=O)CCC6)C(C)C)C)OC3=C(C)C7=C2N=CO7)C(=O)N[C@@H](C(=O)N8CCC[C@H]8C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)C(C)C)C
Compound: Roridin Q
SMILES: O=C1OC[C@@]23[C@@]4([C@@]5(OC5)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=C[C@@H](OCCC(=C1)CO)[C@H](OCC/C(=C/C(=O)O)/C)C)C
Compound: TMC-120A
SMILES: O=C1C2=C(C=3C(=CC(C)=NC3)C=C2)O[C@@H]1C(C)C
Compound: 8-hydroxypregaliellalactone B
SMILES: O=C1O[C@@H](CCC=C)C=C1C(O)CC
Compound: Nocarbenzoxazole G
SMILES: O1C(=NC2=C1C=CC(=C2)CO)C3=C(OC)C=C(O)C=C3
Compound: Arohynapene B
SMILES: O=C(O)/C=C/C=C/C1=C2C(=CC=C1CO)CC(C)CC2C
Compound: Ab-5046-A
SMILES: O=C1C(C(=O)CC(C1)O)=C(O)CCC
Compound: Actinomycin D2
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C3NC4=C(C(=CC=C4C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N6[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]5C)=O)C(C)C)C)=O)CCC6)C(C)C)C)OC3=C(C)C7=C2N=C(CCCC)O7)C(=O)N[C@@H](C(=O)N8CCC[C@H]8C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)C(C)C)C
Compound: (3aS,7aS)-3a-hydroxy-3a,7a-dihydrobenzofuran-2(3H)-one
SMILES: O=C1O[C@H]2C=CC=C[C@]2(C1)O
Compound: (E)-2-decenamide
SMILES: O=C(N)/C=C/CCCCCCC
Compound: Oblongolide H
SMILES: O=C1OC[C@@H]2[C@]1([C@@H]3[C@@H](C=C2)C[C@@H](C)[C@H](C3)O)C
Compound: (2S,3S)-5-hydroxy-6,8,10-trimethoxy-2,3-dimethyl-4H-2,3-dihydronaphtho[2,3-b]pyran-4-one
SMILES: O=C1C=2C(O[C@H]([C@@H]1C)C)=C(OC)C3=CC(OC)=CC(=C3C2O)OC
Compound: Micropeptin SD999
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)CC(=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]1C(C)C)=O)CC(=O)C3=C(N)C=CC=C3)C)=O)[C@H](CC)C)C2=O)O)CCCN=C(N)N)C
Compound: Actinomycin D3
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C(NC(=O)C)C(=O)C(C)=C3C2NC4=C(C(=CC=C4C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N6[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]5C)=O)C(C)C)C)=O)CCC6)CCC)C)O3)C(=O)N[C@@H](C(=O)N7CCC[C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)C(C)C)C
Compound: (3aR,7aR)-3a-hydroxy-3a,7a-dihydrobenzofuran-2(3H)-one
SMILES: O=C1O[C@@H]2C=CC=C[C@@]2(C1)O
Compound: 2-((2-hydroxyethyl)amino)benzoic acid
SMILES: O=C(O)C1=C(NCCO)C=CC=C1
Compound: Linearolide A
SMILES: O=C1OC(/C=C/C(=C/C(C(O)C)C)/C)C(OC)CCC=C(C=CCC(C=C(C2OC(C1C)(O)C(OC)C(O)C2)OC)C)C
Compound: Campechic acid A
SMILES: O=C(O)[C@H](C[C@H](C[C@@H](C[C@@H](C(=O)C=C(O)[C@@H](C[C@@H](C/C=C/[C@@H]([C@@H](O)CC1OC(C2OC([C@H](O)C)(C)CC2)(C)CC1)C)C)C)CC)C)C)C
Compound: Actinomycin D4
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C(N)C(=O)C(C)=C3C2NC4=C(C(=CC=C4C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N6[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]5C)=O)C(C)C)C)=O)CCC6)C)C)O3)C(=O)N[C@@H](C(=O)N7CCC[C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)C(C)C)C
Compound: Micaryolane A
SMILES: O[C@]12[C@H]3[C@@H](C(C)(C)C3)CC[C@](C1)(C[C@@H](C2)O)C
Compound: Cordytakaoamide A
SMILES: O=C(N[C@H](CO)CC1=CC=CC=C1)/C=C/CCCCC(=O)O
Compound: Ganoleuconin I
SMILES: O=C1C2=C([C@@]3([C@H](O)C[C@@H]([C@]3(C1)C)[C@@H](CCC=C(CO)CO)C)C)CC[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: Dihydropetasol
SMILES: O[C@H]1C=C2[C@]([C@H]([C@H](O)CC2)C)(C)C[C@H]1C(=C)C
Compound: Belactosin A
SMILES: O=C1O[C@@H](C(=O)N[C@@H]2[C@@H](C[C@H](NC(=O)[C@@H](N)C)C(=O)O)C2)[C@@H]1[C@H](CC)C
Compound: Thioquinomycin A
SMILES: S1C(=C2C(=O)C=3C=CC(=C(C3C(C2=C1C)=O)O)[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)NC)C)C(=O)C
Compound: Micaryolane B
SMILES: O[C@]12[C@H]3[C@@H](C(C)(C)C3)CC[C@](C1)(CCC2)CO
Compound: Aspergillipeptide B
SMILES: O=C1O[C@@H]([C@H](NC(=O)/C=C\C2=CC=C(O)C=C2)C(=O)N[C@H](C(=O)N[C@@H](C(NC[C@@H]1C)=O)C)CC(C)C)C
Compound: Cordytakaoamide B
SMILES: O=C(N[C@H](CO)CC1=C(O)C=CC=C1)/C=C/CCCCCCC(=O)O
Compound: 17(Z)-myxothiazole A
SMILES: S1C(=NC(=C1)/C=C/[C@@H](OC)[C@@H](/C(/OC)=C\C(=O)N)C)C=2N=C([C@@H](/C=C\C=C\C(C)C)C)SC2
Compound: Thioquinomycin B
SMILES: S1C(=C2C(=O)C=3C=CC(=C(C3C(C2=C1C)=O)O)[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)N(C)C)C)C(=O)C
Compound: Lagumycin B
SMILES: O=C1C=2OCC=3C=C(C)C=C(C3C2C(=O)C=4C1=C(O)C=CC4)O
Compound: 16-Hydroxyadipoyl-7-ADCA
SMILES: S1[C@H]2N(C(C(=O)O)=C(C1)C)C(=O)[C@H]2NC(=O)CCCC(O)C(=O)O
Compound: Caryolan-1,9beta-diol
SMILES: O[C@]12[C@H]3[C@@H](C(C)(C)C3)CC[C@](C1)([C@H](O)CC2)C
Compound: Ochracine A
SMILES: O=C([C@]1(O)C/C(=C\C[C@@H](O)CO)/C(C)(C)CC1)C
Compound: Ilanefuranone
SMILES: O=C1C=C(CCO)O[C@]1(CCCCCCCCCCCCCC)C
Compound: Thioquinomycin C
SMILES: S1C(=C2C(=O)C=3C=CC(=C(C3C(C2=C1C)=O)O)[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)NC)C)[C@H](O)C
Compound: Aeruginopeptin 228-B
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)C(O)CC2=CC=C(O)C=C2)CCC(=O)N)C(=O)N[C@H](C(=O)NC3CCC(N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC4=CC=CC=C4)C)=O)[C@H](O)C)C3=O)O)CC5C=CC(O)CC5)C
Compound: Debromohamigeran A
SMILES: O=C1C2=C(O)C=C(C)C=C2[C@H]3[C@@H](C(C)C)CC[C@]3([C@]1(O)C(=O)OC)C
Compound: Ochracine B
SMILES: O[C@]1([C@H](O)C)C/C(=C\C[C@@H](O)CO)/C(C)(C)CC1
Compound: Benditerpenoic acid
SMILES: O=C(O)C1=C[C@@H]2[C@@H]([C@H](CC[C@H]2C(=C)C)C)CCC(=CC[C@@H]1O)C
Compound: Colomitide B
SMILES: O=C([C@@H]1[C@@H]2[C@H]([C@](C)(OC1)OC2)C)[C@H](CC)C
Compound: Thioquinomycin D
SMILES: S1C(=C2C(=O)C=3C=CC(=C(C3C(C2=C1C)=O)O)[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)N(C)C)C)[C@H](O)C
Compound: Maridomycin ii
SMILES: O=C1OC(CC2OC2C=CC(O)C(CC(C(C(C(C1)OC(=O)C)OC)OC3OC(C(OC4OC(C(OC(=O)CC(C)C)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: Lucidulactone B
SMILES: O=C1O[C@@](OC)(C2=C(O)C=CC(=C2)O)C=C1CC/C=C(/C=O)\C
Compound: 2-Methylgeraniol
SMILES: OC/C(=C(/CCC=C(C)C)\C)/C
Compound: Ochracine C
SMILES: O=C(C(O)C)CCC(C(=C)CCC(O)CO)(C)C
Compound: Neomacrophorin III
SMILES: O=C1C=C([C@@H](O)[C@H]2[C@@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)COC(=O)C[C@@H](O)C
Compound: Alokicenone A
SMILES: O=C1C2=C(O)C=3C(=CC=CC3C)C=C2[C@@H](O)CC1
Compound: 1-(2′-Hydroxy-4′-methoxy-5′-methylphenyl)-E,E-2,4-hexadien-1-one
SMILES: O=C(C1=C(O)C=C(OC)C(=C1)C)/C=C/C=C/C
Compound: Hanasanagin
SMILES: O=C(O)[C@@H](NC(=O)C[C@@H](N=C(N)N)CN=C(N)N)CC1=CC(O)=C(O)C=C1
Compound: Microviridin H
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC(=O)NCCCC[C@H]3C(=O)N[C@H](C(N4[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC=5C6=C(C=CC=C6)NC5)=O)CC(=O)O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H]7N(C(=O)[C@@H](NC(=O)C)CC8=CC=C(O)C=C8)CCC7)CCC(=O)N)C(=O)N[C@H](C(=O)N3)CC(C)C)C)=O)CO)=O)CCC4)=O)CC9=CC=C(O)C=C9)CCC(=O)OC
Compound: Alokicenone B
SMILES: O=C1C2=C(O)C=3C(=CC(OC)=CC3C)C=C2[C@@H](O)CC1
Compound: Selina-3,7(11)-diene
SMILES: C1(=C(C)C)C[C@H]2C(=CCC[C@]2(C)CC1)C
Compound: Ochracine D
SMILES: O=C(C(O)C)CCC(C(=C)CCC(O)COC(=O)C)(C)C
Compound: Hydrazidomycin A
SMILES: O=C(N(NC(=O)COC)/C=C\CCCCCCCCCCCC)CCCCCCCCC
Compound: Graphiumin B
SMILES: S1SS[C@]23N([C@@H]4[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C4C2)C([C@@]5(S1)N([C@@H]6[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C6C5)C3=O)=O
Compound: (Z)-3-hydroxy-5-methoxy-2,6-dimethyl-7-(2-methylthiazol-4-yl)hept-6-enoic acid
SMILES: S1C(=NC(=C1)/C=C(/C(OC)CC(O)C(C(=O)O)C)\C)C
Compound: Alokicenone C
SMILES: O=C1C2=C(O)C=3C(=CC(OC)=CC3CO)C=C2[C@@H](O)CC1
Compound: Farnesylfarnesylacetone
SMILES: O=C(CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)C
Compound: Ochracine E
SMILES: O=C(OCC(O)CCC(=C)C(CCC(O)C(O)C)(C)C)C
Compound: 7,12-dihydroxysterpurene
SMILES: O[C@@H]1[C@]2([C@@H](C(CO)=C3[C@H]1CC(C)(C)C3)CC2)C
Compound: GDP-D-mannuronic acid
SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)C(O)=O)[C@@H](O)[C@H]1O
Compound: Terresterone B
SMILES: O=C1[C@@]2(C(C(=O)C)=CC[C@H]2C3=CCC=4[C@@]([C@H]3C1)([C@@H](O)[C@H](O)[C@H](C4)O)C)C
Compound: (1S)-1,5-secovibralactone
SMILES: O=C1OC=CC(=C[C@@H]1CC=C(C)C)CO
Compound: Sestermobaraene A
SMILES: C12=C[C@@H]3[C@@](CCC4([C@]1([C@@H]5CC[C@]2([C@@H]5CC4)C)C)C)(CC[C@H]3C(C)C)C
Compound: Alokicenone D
SMILES: ClC=1C=2C(C(O)=C3C1[C@@H](O)CCC3=O)=C(C=C(C2)O)C
Compound: Penicilquei A
SMILES: O=C(NC1=C(OC)C=C(O)C(=C1)[C@@H](/C=C/C=C(/C=C\C)\CO)[C@H](O)C)C
Compound: Hebelophyllene F
SMILES: O=C(OC)C(=C)[C@@H]1C(C(C)(C)C1)C[C@H](O)C(=C)C2OC2
Compound: Respinomycin-A2
SMILES: O=C1C2=C3O[C@H]4O[C@@](C3=CC=C2C(=O)C=5C1=C(O)C6=C(C[C@](O)(C)[C@@H](C6)OC)C5)([C@@H](OC7OC(C(OC8OC(C(O)C(C8OC)(O)C)C)C(C7)(N)C)C)[C@H]([C@@H]4O)N(C)C)C
Compound: Sestermobaraene B
SMILES: C1(=C)[C@@]23[C@]4(CC[C@@H]1[C@H]4CC[C@@H]([C@H]2C[C@]5(CC[C@H]([C@@H]5C3)C(C)C)C)C)C
Compound: Alokicenone E
SMILES: O=C1C2=C(O)C=3C(=CC(O)=CC3C)C=C2[C@@H](O)C[C@@H]1O
Compound: Reveromycin I
SMILES: O=C(O[C@]1([C@@H](O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/[C@H](O)[C@H](/C=C/C(=O)O)C)\C)CC1)/C=C/C(=C/C(=O)O)/C)CCCCC)/C=C/C(=O)O
Compound: Furfuraceic acid
SMILES: O=C(O)C1=C(O)C=C2OC=3C(C2=C1CC(=O)CCCCC)=C(C=C(O)C3)CC(=O)CCCCC
Compound: Penicilquei B
SMILES: O=C(NC1=C(OC)C=C(O)C(=C1)[C@H](/C=C/C=C(/C=C\C)\CO)[C@H](O)C)C
Compound: Ambiguine L isonitrile
SMILES: O[C@]12C=3C4=C5C=CC=C4NC3C(C)(C)C=C[C@]1([N+]#[C-])[C@@](C=C)(CC[C@@H]2C5(C)C)C
Compound: Alokicenone F
SMILES: O=C1C2=C(O)C=3C(=CC(OC)=CC3C)C=C2[C@@H](O)C[C@@H]1O
Compound: Sestermobaraene C
SMILES: C1(=C)[C@@H]2[C@@]3([C@]4(CC[C@@H]([C@@H]3C)[C@H]4CC1)C)C[C@H]5[C@H](C(C)C)CC[C@@]5(C2)C
Compound: Curtisian O
SMILES: O=C(OC1=C(O)C(=C(OC(=O)C)C(=C1C2=CC=C(O)C=C2)O)C3=CC=C(O)C=C3)CCC
Compound: X-14889A
SMILES: O=C([C@@H]([C@H]1O[C@@]([C@@]2(O[C@]([C@H](O)C)(CC)C[C@H]2C)O)(C)C[C@@H]1C)CC)[C@H]([C@@H](O)[C@@H]([C@H]3O[C@](O)([C@H](C)C[C@@H]3C)CC)C)C
Compound: Citreohybriddione C
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@]6(C)C([C@@]3(C(=O)OC)[C@]5(C6=O)C)=O)C)C
Compound: Penicilquei C
SMILES: O=C(NC1=C(OC)C=C(O)C(=C1)[C@@H](/C=C(/C=C\C)\CO)/C=C/[C@H](O)C)C
Compound: Alokicenone G
SMILES: O=C1C2=C(O)C=3C(=C(C(O)=CC3C)C[C@@H](C(=O)OCC)C(=O)OC)C=C2[C@@H](O)CC1
Compound: Sestermobaraene D
SMILES: C1(=C)[C@@H]2[C@]3([C@]4(C(C)[C@@H]([C@H]3CC1)CC4)C[C@@H]5[C@@](C2)(CC[C@H]5C(C)C)C)C
Compound: Versixanthone B
SMILES: O=C1C2=C(O[C@](C1)(C(=O)OC)[C@@H]3OC(=O)C[C@@H]3C)C(C4=C5O[C@@]6(C(C(=O)C[C@@H]([C@H]6O)C)=C(C5=C(O)C=C4)O)C(=O)OC)=CC=C2O
Compound: Citreospirosteroid
SMILES: O=C1[C@]2([C@@H](C=O)[C@]3([C@@]1(CC[C@@H](C3)O)C)O)C[C@@]4([C@@H]([C@@H](/C=C/C(C(C)C)C)C)CCC4C2)C
Compound: Penicilquei D
SMILES: O=C(NC1=C(OC)C=C(O)C(=C1)[C@H](/C=C(/C=C\C)\CO)/C=C/[C@H](O)C)C
Compound: Alokicenone H
SMILES: O=C1C2=C(O)C=3C(=C(C(O)=CC3C)C[C@H](C(=O)OCC)C(=O)OC)C=C2[C@@H](O)CC1
Compound: Cyclo(D)-Pro-(D)-Val
SMILES: O=C1N2[C@@H](C(=O)N[C@@H]1C(C)C)CCC2
Compound: Sestermobaraene E
SMILES: C1(=C)CCC=C(CCC=C(C=C[C@@H]2[C@@](CC1)(CC[C@H]2C(C)C)C)C)C
Compound: Striatoid B
SMILES: O1[C@H]2O[C@@H]3[C@]4([C@@H](C5=C(C(C)C)C[C@@H]([C@]5(C)CC4)O)CC=C6[C@H]3[C@@]2(O)[C@]7(O[C@@H]6O[C@]7(C1)O)O)C
Compound: WB-3559 A
SMILES: O=C(O)[C@@H](NC(=O)CNC(=O)C[C@H](OC(=O)CC/C=C/CCCCCCCC(C)C)CCCCCCCCCCC(C)C)CO
Compound: Chaetosisoindolinone
SMILES: O=C1N[C@@H](C)C2=C1C=C(OC)C(=C2O)O
Compound: GDP-L-mannose
SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Compound: Hydroxyikarugamycin A
SMILES: O=C1NCC[C@H](O)[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@H]3[C@H](CC=C1)[C@H]4[C@H](O)[C@@H](O)[C@H]5[C@H]([C@H](OC)C)[C@@H](C[C@@H]5[C@H]4C3)C
Compound: Hericenol D
SMILES: O(C1=C(C(O)=C(COC)C(=C1)CO)C/C=C(/C/C=C/C(OC)(C)C)\C)C
Compound: Sestermobaraene F
SMILES: C1(=C)[C@@H]2[C@@H]([C@]3([C@@H]4CC[C@@H]([C@]34CC1)C)C)C[C@H]5[C@H](C(C)C)CC[C@@]5(C2)C
Compound: Sodagnitin B
SMILES: O=C1C([C@H]2[C@]([C@@H]3[C@@]([C@H](C4=CC[C@@H](C(C=5OC(C)(C)C(C5)=O)=C)O[C@H]4O)C(C3)=O)(C)CC2)(C)C[C@H]1O)(C)C
Compound: Pitipeptolide A
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(NCC(O[C@H](C1(C)C)CCCC#C)=O)=O)[C@H](CC)C)=O)[C@H](CC)C)CC3=CC=CC=C3)C)C(C)C
Compound: Chaetosindanone
SMILES: O=C1C2=C(O)C(O)=C(OC)C=C2[C@H](C1)O
Compound: Lecanindole B
SMILES: O=C1C([C@@]2(O)[C@]([C@]3(C=4NC=5C=CC=CC5C4C[C@@H]3CC2)C)(C)CC1)(C)C
Compound: Hydroxyikarugamycin B
SMILES: O=C1NCCC[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@H]3[C@H](CC=C1)[C@H]4[C@H](O)[C@@H](O)[C@H]5[C@H]([C@H](OC)C)[C@@H](C[C@@H]5[C@H]4C3)C
Compound: Sestermobaraol
SMILES: O[C@@]12[C@@]3([C@H]([C@]4(CC[C@@H]3[C@H]4CC1)C)C[C@H]5[C@H](C(C)C)CC[C@@]5(C[C@@H]2C)C)C
Compound: Phenazostatin B
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)C(C(C=4C5=NC=6C(=C(C(=O)OC)C=CC6)N=C5C=CC4)C)C)N=C2C=CC1
Compound: Hydroxyikarugamycin C
SMILES: O=C1NCCC[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@H]3[C@H](CC=C1)[C@H]4[C@H](O)[C@@H](O)[C@H]5[C@H]([C@H](O)C)[C@@H](C[C@@H]5[C@H]4C3)C
Compound: Lepistamide A
SMILES: O=C1N[C@@](O)(C(=O)N[C@]1(OC)CC(C)C)CC2=CC=CC=C2
Compound: Desferrioxamine Te1
SMILES: S1CCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(NCCCCCN(C(CCC(NCC1)=O)=O)O)=O
Compound: 2-hydroxy-6-((R,8Z,11Z)-14-hydroxyheptadeca-8,11-dien-1-yl)benzoic acid
SMILES: O=C(O)C1=C(O)C=CC=C1CCCCCCC/C=C\C/C=C\C[C@H](O)CCC
Compound: Brasilicardin C aglycone
SMILES: O=C(O)[C@@H](N)[C@@H](OC)C[C@H]1C(=CC[C@H]2[C@]1(CC[C@H]3[C@]2(C[C@H](O)[C@H](C3(C)C)O)C)C)C
Compound: Isomalyngamide A
SMILES: Cl/C=C(\CN(C(=O)CC/C=C/C[C@@H](OC)CCCCCCC)C)/C/C(/OC)=C\C(=O)N1C(=O)C=C(C1)OC
Compound: Actinoallolide C
SMILES: O=C1O[C@@H]([C@@H]([C@H](O)[C@@H](CC(=C[C@@H]([C@@H](O)[C@@H](C(=O)CC)C)C)C)C)C)CC=C(C)CC2(OC(C1)=C(C2=O)CC)C
Compound: Cyathinin A
SMILES: O1[C@H]2O[C@@H]3[C@]4([C@@H](C5=C(C(C)C)CC[C@]5(C)CC4)[C@@H](O)C=C6[C@H]3[C@@]2(O)[C@H]7O[C@@H]6O[C@]7(C1)O)C
Compound: Brasilicardin D aglycone
SMILES: O=C(O)[C@@H](N)CC[C@H]1C(=CC[C@H]2[C@]1(CC[C@H]3[C@]2(C[C@H](O)[C@H](C3(C)C)O)C)C)C
Compound: (R)-2-hydroxy-6-(14-hydroxypentadecyl)benzoic acid
SMILES: O=C(O)C1=C(O)C=CC=C1CCCCCCCCCCCCC[C@H](O)C
Compound: N-(1-deoxyfructos-1-yl)-valyl-glutamate
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NCC1(OCC(O)C(C1O)O)O)C(C)C)CCC(=O)O
Compound: Cyclopiamide G
SMILES: O=C1NC=2C=CC=C3C2[C@@]1(O)[C@@H]4C(=O)NC([C@@H]4C3)(C)C
Compound: Cyathinin B
SMILES: O1[C@H]2O[C@@H]3[C@]4([C@@H](C5=C(C(C)C)CC[C@]5(C)CC4)[C@@H](O)C=C6[C@H]3[C@@]2(O)[C@]7(O[C@@H]6O[C@H]7C1)O)C
Compound: Aspergilliamide B
SMILES: O=C(N)C(=NO)[C@@H](OC(=O)CC(C)C)C(C)C
Compound: P-Meth-1-en-4-OL
SMILES: O[C@@]1(C(C)C)CC=C(C)CC1
Compound: 4-O-methylepelmycin D
SMILES: O=C1C2=C(O)C3=C(C(C(=O)OC)C(O)(CC)CC3O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)N(C)C)C)C(=C2C(=O)C=5C1=C(OC)C=CC5)O
Compound: Pretubulysin
SMILES: S1C(=NC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H](C(=O)O)C)CC[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]3N(CCCC3)C)[C@H](CC)C)C)C(C)C
Compound: (R)-2-hydroxy-6-(12-hydroxyheptadecyl)benzoic acid
SMILES: O=C(O)C1=C(O)C=CC=C1CCCCCCCCCCC[C@H](O)CCCCC
Compound: Cyathinin C
SMILES: O1[C@H]2O[C@@H]3[C@]4([C@@H](C5=C(C(C)C)C[C@@H]([C@]5(C)CC4)O)[C@@H](O)C=C6[C@H]3[C@@]2(O)[C@]7(O[C@@H]6O[C@H]7C1)O)C
Compound: (2R,3R,2′,3′R)-4-ketonostoxanthin 3′-sulfate
SMILES: S(=O)(=O)(O[C@H]1[C@H](O)C(C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@@H](O)[C@@H](C2(C)C)O)C)\C)\C)/C)/C)=C(C1)C)(C)C)O
Compound: 14-Hydroxy-6beta-p-nitrobenzoylcinnamolide
SMILES: O=[N+]([O-])C1=CC=C(C(=O)O[C@@H]2C=C3C(=O)OC[C@@H]3[C@@]4([C@@H]2[C@](CCC4)(CO)C)C)C=C1
Compound: Chartarlactam H
SMILES: O=C1N(CC=2C1=C3O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)CC3=C(O)C2)CCO
Compound: 2-hydroxy-6-(12-oxoheptadecyl)benzoic acid
SMILES: O=C(O)C1=C(O)C=CC=C1CCCCCCCCCCCC(=O)CCCCC
Compound: 4-Thujanol (cis-Sabinene hydrate)
SMILES: O[C@@]1([C@@H]2[C@@](C(C)C)(C2)CC1)C
Compound: Cyathinin D
SMILES: O1C=C2[C@H](OC)[C@H](O)[C@@H]3C4=C(C(C)C)CC[C@]4(C)CC[C@]3([C@@H]5[C@@H]2[C@]6([C@]1(O)[C@H](O)CO[C@H]6O5)O)C
Compound: Spirotryprostatin K
SMILES: O=C1N2[C@H](C(=O)N[C@H]1C[C@@]3(C(=O)NC4=C3C=CC(=C4)O)CC=C(C)C)CCC2
Compound: Aspochalasin L
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C([C@@H]([C@@H]3C=C(CCC(C(C(C1)OC)O)O)C)O)C)CC(C)C
Compound: Marinophenazine A
SMILES: O(C=1C2=NC=3C(=C(O)C=CC3)[N+](=C2C=CC1)[O-])C/C=C(/CCC=C(C)C)\C
Compound: Dalesconol C
SMILES: O=C1C2=C(O)C=CC=C2C3=C4C=5C(C(=O)C=C4)=C(O)C=C(C5[C@@]63[C@H](C1)CC(=O)C7=C6C=C(O)C=C7O)O
Compound: 2-hydroxy-6-(12-oxopentadecyl)benzoic acid
SMILES: O=C(O)C1=C(O)C=CC=C1CCCCCCCCCCCC(=O)CCC
Compound: 10-hydroxyerinacine S
SMILES: O=C1C(O)=C2[C@@H]3[C@@H]([C@@]4(CC[C@@]5(C([C@H]4[C@H](C2)O)=C(C(C)C)CC5)C)C)O[C@H]6[C@@]3([C@]1(O)CO6)O
Compound: SCH 60057
SMILES: OC(CCC=C(C)C)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C)C)C)C)C
Compound: Deconin C
SMILES: O=C1C[C@@](C2=CC=C(C(=O)OCC[C@@](O)(CC(=O)O)C)CC2)(C)C(C1)(C)C
Compound: 4,5-dihydroxy-7-methylphthalide
SMILES: O=C1OCC=2C1=C(C=C(O)C2O)C
Compound: Varixanthone
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)C[C@H](OC=O)C(O)(C)C
Compound: Cyathinin E
SMILES: O=C1O[C@H]2C(=O)CO[C@@H]3[C@@]2(O)[C@@H]4C1=C[C@H](O)[C@@H]5C6=C(C(C)C)CC[C@]6(C)CC[C@]5([C@H]4O3)C
Compound: Methylenolactocin
SMILES: O=C1OC(CCCCC)C(C1=C)C(=O)O
Compound: Tiancilactone A
SMILES: ClC1=CC(=C(NC)C=C1)C(=O)OC[C@@]2([C@@H](O)CC[C@]3([C@H]2CC[C@]4([C@@H]3C[C@H](OC)[C@H]([C@@H]4C5=C(O)C(=O)OC5O)C)C)C)C
Compound: 2,4-dichlorophenyl 2,4-dichloro benzoate
SMILES: ClC1=C(OC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(=C1)Cl
Compound: Bombardolide C
SMILES: O=C1O/C(=C\CC)/C=C1/C=C/C(=O)O
Compound: N-acetyl-MY336-A
SMILES: O=C(N1[C@H](C2=C(O)C(OC)=C(C)C=C2C[C@H]1CO)CO)C
Compound: Luisol A
SMILES: O=C1O[C@]23[C@@](O)([C@@H](O)C=4C(O)=CC=CC4[C@H]2O)[C@H](C)O[C@@H](C1)C3
Compound: Guignarderemophilane C
SMILES: O=C1C=C2[C@]([C@H]([C@@H](O)[C@H]([C@@H]2O)O)C)(C)C[C@H]1C(=C)C
Compound: Tiancilactone B
SMILES: O=C1OC(O)C(=C1O)[C@@H]2[C@@]3([C@@H]([C@@]4([C@H]([C@@]([C@@H](O)CC4)(COC(=O)C5=C(NC)C=CC=C5)C)CC3)C)C[C@@H]([C@H]2C)OC)C
Compound: Arugosin O
SMILES: O=C1C2=C(O)C(=CC=C2O[C@@H](C=3C1=C(O)C=C(C)C3)OC)C/C=C(/CCC=C(C)C)\C
Compound: Astolide A
SMILES: O=C1O[C@H]([C@@H](C=CC(O)CCC[C@@H](O)C[C@@H](O)C[C@H](O)C[C@@H]2O[C@@](C([C@H](C(CCC(CCCC(CC(CC=C1)O)O)O)C)O)=O)(O)[C@@H](O)[C@@H](C2)O)C)[C@@H]([C@@H](O)[C@H]([C@@H](O)[C@@H]([C@H](O[C@H]3O[C@@H]([C@H](O[C@H]4O[C@@H]([C@H](OC(=O)[C@@H]([C@H](O[C@H]5O[C@@H]([C@H](O)CC5)C)C6=CC=7C(=O)C=C(C)C(C7C=C6)=O)C)CC4)C)[C@](C3)(O)C)C)CC)C)C)C
Compound: Streptazone C
SMILES: O=C1C/2=C(NCC1)C=C\C2=C/C
Compound: WS75624 A
SMILES: S1C(=NC(=C1)C2=NC(C(=O)O)=CC(=C2OC)OC)CCCCC(O)(C)C
Compound: Tiancilactone C
SMILES: ClC1=CC(=C(NC)C=C1)C(=O)O[C@@H]2[C@]([C@H]3[C@]([C@@H]4[C@]([C@@H](C5=C(O)C(=O)OC5O)[C@H](C)[C@H](C4)OC)(C)CC3)(C)CC2)(CO)C
Compound: Aspinolide B
SMILES: O=C1O[C@@H]([C@@H](OC(=O)/C=C/C)C=C[C@H]([C@H](CC1)O)O)C
Compound: Arugosin P
SMILES: O=C1C2=C(O)C(=CC=C2OC(C=3C1=C(O)C=C(C)C3)OC)C/C=C(/CC/C=C(/CCC(OC(=O)C)C(O)(C)C)\C)\C
Compound: Astolide B
SMILES: O=C1O[C@@H]([C@H](C=CC(O)CCC[C@H](O)C[C@H](O)C[C@@H](O)C[C@H]2O[C@](C([C@@H](C(CCC(CCCC(CC(CC=C1)O)O)O)C)O)=O)(O)[C@H](O)[C@H](C2)O)C)[C@H]([C@H](O)[C@@H]([C@H](O)[C@H]([C@@H](O[C@@H]3O[C@H]([C@@H](O[C@@H]4O[C@H]([C@@H](OC(=O)[C@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O)CC5)C)C6=CC=7C(=O)C=C(C)C(C7C=C6)=O)C)[C@H](C4)O)C)[C@@](C3)(O)C)C)CC)C)C)C
Compound: Ansacarbamitocin A1
SMILES: ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H](C=C([C@H](CC(N(C1=C2)[C@H]4O[C@H]([C@H](OC(=O)N)[C@H]([C@@H]4O)OC)COC(=O)C)=O)OC(=O)NC)C)C)C3)=O)C
Compound: Islandic acid-II
SMILES: O=C1OC(=C(CO)C(=C1CO)OC)/C=C/C(=O)O
Compound: Indoxamycin A
SMILES: O=C(O)/C=C/[C@@]1(C=C([C@@H]2O[C@@H]([C@]3([C@@]2([C@@H]1C(=C3)C)C)C)/C(=C\C)/C)C)C
Compound: Tiancilactone D
SMILES: ClC1=CC(=C(NC)C=C1)C(=O)OC[C@@]2([C@@H](O)CC[C@]3([C@H]2CC[C@]4([C@@H]3C[C@H](OC)[C@H]([C@@H]4C5=C(O)C(=O)O[C@H]5NCCO)C)C)C)C
Compound: Arugosin Q
SMILES: O=C1C2=C(O)C(=CC=C2OC(C=3C1=C(O)C=C(C)C3)OC)C/C=C(/CC/C=C(/CCC(OC)C(O)(C)C)\C)\C
Compound: Pseudoxylallemycin B
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1CC2=CC=C(OCC=C=C)C=C2)=O)CC(C)C)C)CC3=CC=C(OCC=C=C)C=C3)CC(C)C)C
Compound: Conoideocrellone A
SMILES: O=C1C2=C(C(O)=C3CO[C@H]([C@H](C3=C2C=4C=5C(=C(OC)C=C(C5)OC)C=C6C4[C@H](OC(=O)C)[C@H](C)OC6)OC(=O)C)C)C(=O)C=C1OC
Compound: Isocitreohybridone C
SMILES: O=C1O[C@H]2C[C@]3([C@H]([C@]14[C@H]2C([C@@H](O)CC4)(C)C)C=C([C@]5(C(OC)=C(C([C@@]35C(=O)OC)=O)C)C)C)C
Compound: Terpeptin B
SMILES: O=C1NC=2C=CC=CC2[C@@]1(/C=C\NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C)C(C)C)C)C(C)C)CC=C(C)C
Compound: Tiancilactone E
SMILES: ClC1=CC(=C(NC)C=C1)C(=O)OC[C@@]2([C@@H](O)CC[C@]3([C@H]2CC[C@]4([C@@H]3C[C@H](OC)[C@H]([C@@H]4C5=C(O)C(=O)O[C@H]5N(CCO)C)C)C)C)C
Compound: (+)-dalmanol C
SMILES: O=C1C=2C3=C(C(O)=CC(=C3[C@H](C)[C@H](C2C4=C(O)C=CC=C4O)[C@@H](CC(=O)C5=C(O)C=CC=C5O)C)O)C(=C1)O
Compound: 4-methoxy-7-methylbenzo[d][1,3]dioxol-5-OL
SMILES: O1C2=C(OC)C(O)=CC(=C2OC1)C
Compound: Conoideocrellone B
SMILES: O=C1C2=C(C(O)=C3COC(C(C3=C2C=4C=5C(=C(OC)C=C(C5)OC)C=C6C4[C@H](OC(=O)C)[C@H](C)OC6)OC(=O)C)C)C(=O)C=C1OC
Compound: 5,8a-Dihydroxy-13-normarasm-7-one
SMILES: O=C1[C@]2([C@]([C@H]3CC(C[C@H]3[C@H]1O)(C)C)(C)C2)CO
Compound: Illudin I2
SMILES: O=C1C2=C([C@](O)(C)C3([C@@H]1C)CC3)C[C@](C2)(CO)C
Compound: Tiancilactone F
SMILES: ClC1=CC(=C(NC)C=C1)C(=O)OC[C@@]2([C@@H](O)CC[C@]3([C@H]2CC[C@]4([C@@H]3C[C@H](OC)[C@H]([C@@H]4/C(=C/O)/C=O)C)C)C)C
Compound: (2E,4E)-5-[(3S)-5-acetyl-8-(beta-D-glucopyranosyloxy)-3,4-dihydro-6-hydroxy-1-oxo-1H-2-benzopyran-3-yl]penta-2,4-dienal
SMILES: O=C1O[C@H](/C=C/C=C/C=O)CC=2C1=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C=C(O)C2C(=O)C
Compound: Bacilohydrin A
SMILES: O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N[C@@H](C(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)N)CCCCCCCCC(CC)C
Compound: Conoideocin A
SMILES: O=C(O[C@@H]1[C@]([C@H]2[C@]([C@@H](C(=C)CC2)CC(=O)O)(C)CC1)(CCC=C(C)C)C)C(O)C(C)C
Compound: Milbemycin alpha20
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](O)[C@H]5OC4)COC(=O)/C(=C/C)/C)O)C)C)O[C@@H]([C@@H](C)CC3)C
Compound: Bafilomycin G
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)OC)C(C)C)O)C)C
Compound: Tiancilactone G
SMILES: ClC1=CC(=C(NC)C=C1)C(=O)OC[C@@]2([C@@H](O)CC[C@]3([C@H]2CC[C@]4([C@@H]3C[C@H](OC)[C@H]([C@@H]4CCO)C)C)C)C
Compound: Chartarlactam G
SMILES: O=C1NCC=2C1=C3O[C@]4([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC[C@H]4C)C)CC3=C(O)C2
Compound: Atransfusarin
SMILES: O=C(NCC(=O)OC)C1=NC=C(CC[C@@H](O)C)C=C1
Compound: Cyclo-(D-Ile-L-Trp)
SMILES: O=C1NC(C(=O)N[C@@H]1[C@H](CC)C)CC=2C3=C(C=CC=C3)NC2
Compound: [(3S,4S)-6-[(3S,4S)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,10-dihydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
SMILES: O=C(O[C@H]1C2=C(C3=C(O)C=C(OC)C=4C3=CC=5[C@H](OC(=O)C)[C@H](C)OCC5C4O)C=6C(=C(OC)C=C(C6)OC)C(=C2CO[C@H]1C)O)C
Compound: (11)-Cytochalasa-5,13,19-triene-l,21-dione-7-hydroperoxy-17-hydroxy-16,18-dimethyl-10-phenyl-(5Z*,7S*,13E,16S*,17R*,18S*,19E)
SMILES: O=C1C=C[C@H]([C@@H](O)[C@H](C)CC=C[C@H]2[C@]13C(=O)N[C@@H]([C@H]3C(C)=C([C@@H]2OO)C)CC4=CC=CC=C4)C
Compound: Tiancilactone H
SMILES: O=C(O)C[C@@H]1O[C@@H]2C=C([C@H]1[C@]3(CC[C@@H]4[C@@]([C@@H]23)(CC[C@@H](C4(C)C)O)C)C)C
Compound: (-)-leptosphaerone A
SMILES: O=C1C=C(C[C@@H]([C@]1(O)C)O)C
Compound: Pleofungin D
SMILES: O=C1O[C@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](CO)C(N([C@H](C(N[C@H](C(N([C@H](C(O[C@@H]([C@@H]1NC(=O)[C@@H](NC)[C@H](CC)C)C)=O)CC(C)C)C)=O)C)=O)C(C)C)C)=O)CC(C)C)C)[C@H](CC)C)CC(C)C)C(C)C
Compound: Speciosin J
SMILES: O[C@@H]1[C@@H](C[C@@H](O)CC1)CC=C(C)C
Compound: 3-hydroxymethyl-5,6,8-trihydroxy isocoumarin
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O)C2O)CO
Compound: 4-Oxodihydro-b-ionone
SMILES: O=C1C(=C(C(C)(C)CC1)CCC(=O)C)C
Compound: Thielavin P
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1C)C)C)C2=C(O)C(=C(OC(=O)C3=C(O)C(=C(O)C(=C3C)C)C)C(=C2C)C)C
Compound: Daldinin
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C([C@H]([C@@H]3C=CC[C@@H](C[C@@]([C@@H](C1)OC)(OC(=O)C)C)C)O)=C)CC4=CC=CC=C4
Compound: Trichorovin-Ia
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(C)C)CO)CCC2)(C)C)CC(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CC(=O)N)C(C)C)CC(C)C)(C)C
Compound: Formosterol B
SMILES: O=C1[C@H]2C(=CC[C@@H]3[C@@]2(CCC(C3)=O)C)[C@@]4(O)C[C@@H]([C@@H]([C@]4([C@H]1O)C)[C@@H]([C@@H]5O[C@@H]5[C@@H](C(O)(C)C)C)C)O
Compound: 6,8-dihydroxy-3-hydroxymethyl-5-methoxyisocoumarin
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O)C2OC)CO
Compound: Mycochrysone
SMILES: O=C1C2=C(O)C=CC=C2C(C3=C4C(=C(O)C=C3)[C@H](O)C5C(C4=O)O5)=CC1=O
Compound: 4-Oxo-b-ionone
SMILES: O=C1C(=C(/C=C/C(=O)C)C(C)(C)CC1)C
Compound: 3-(4-methoxy-2-oxo-2H-pyran-6-yl)-propanoic acid
SMILES: O=C1OC(=CC(=C1)OC)CCC(=O)O
Compound: (5S,9R,10S,11R,13R,14R,15S,17R)-11,15-dihydroxy-17-[(2S)-6-hydroxy-6-methyl-5-oxoheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILES: O=C1C[C@H]2[C@]([C@@H]3C([C@H]4[C@]([C@@H]([C@H](CCC(=O)C(O)(C)C)C)C[C@@H]4O)(C)C[C@H]3O)=CC2)(C)CC1
Compound: Astraeusin F
SMILES: O[C@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@@H](O)C/C=C(/CO)\C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Tetrahydroionone
SMILES: O=C(CCC1C(CCCC1C)(C)C)C
Compound: 9-O-(40-O-methyl-b-D-glucopyranosyl) cytogenin
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2)CO[C@H]3O[C@H]([C@H](OC)[C@@H]([C@@H]3O)O)CO
Compound: Hypocrellol G
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](COC(=O)C)CCC5OC5(CO)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Psathyrelloic acid
SMILES: O=C(O)/C(=C/CO)/CC=C1[C@](CC[C@@H]1C(C)C)(C/C=C(/C(=O)O)\C)C
Compound: Altersolanol J
SMILES: O=C1C2=C(C(O)=CC(=C2)OC)[C@H](O)[C@@H]3[C@@H]1C[C@@](O)(C)[C@@H](C3)O
Compound: Aeruginosin DA495A
SMILES: O=C(N)[C@H]1N(C(=O)[C@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CC3=CC=CC=C3)[C@H]4C[C@@H](O)CC[C@H]4C1
Compound: 5-[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-6-methoxy-3-methylisochromen-1-one
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2O[C@H]3O[C@H]([C@H](OC)[C@@H]([C@@H]3O)O)CO)C
Compound: 2-(6,7-Epoxy-12-hydroxy-1-oxo-2,4,10-farnesatrien-1-yl)pyrrole; (2Z,4E,6xi,7xi,10E)-form
SMILES: O=C(C=1NC=CC1)/C=C(\C=C\C2OC2(CC/C=C(/CO)\C)C)/C
Compound: Burkholidine 1215
SMILES: O=C1N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](CC(N[C@@H](C(N[C@@H]1[C@H](O)C2=CC=C(O)C=C2)=O)CO)=O)C[C@@H](O)[C@@H](O)[C@@H](O[C@@H]3OC[C@@H](O)[C@@H]([C@H]3O)O)CCCCCCCCCCC)=O)[C@H](O)C(=O)N)CO)CC(=O)N)CCN
Compound: Penichrypyrone A
SMILES: O=C1C(=C(OC(=C1)C)[C@H](C[C@H](CC)C)C)C
Compound: Monascodilone
SMILES: O=C1OC(=CC2=C1C=C3C(=O)O[C@H](C3=C2)C)/C=C/C
Compound: 4-(2',3'-dihydroxy-3'-methylbutanoxy)phenethanol
SMILES: O(C1=CC=C(CCO)C=C1)C[C@H](O)C(O)(C)C
Compound: 1-(3,5-dihydroxyphenyl)-1-hydroxypropane-2-one
SMILES: O=C([C@H](O)C1=CC(O)=CC(=C1)O)C
Compound: 2-(6,7-Epoxy-12-hydroxy-1-oxo-2,4,10-farnesatrien-1-yl)pyrrole; (2Z,4E,6xi,7xi,10E)-form, 12-Aldehyde
SMILES: O=C(C=1NC=CC1)/C=C(\C=C\C2OC2(CC/C=C(/C=O)\C)C)/C
Compound: Cutinostatin B
SMILES: O=C1N(O)CCCC1NC(=O)C(NC(=O)C2=C(O)C(O)=CC=C2)CCCN
Compound: Hopane-6alpha,16alpha,22-triol
SMILES: OC([C@@H]1C2[C@](C3[C@@]([C@]4(C([C@@]5(C(C(CCC5)(C)C)[C@H](C4)O)C)CC3)C)(C)C[C@H]2O)(C)CC1)(C)C
Compound: 1-(3,5-dihydroxyphenyl)-2-hydroxypropane-1-one
SMILES: O=C(C1=CC(O)=CC(=C1)O)[C@@H](O)C
Compound: (2E,6R*,7R*,10R*)-7,10-Epoxy-2-farnesene-1,6,11-triol
SMILES: O1[C@@]([C@H](O)CC/C(=C/CO)/C)(CC[C@@H]1C(O)(C)C)C
Compound: Emeriphenolicin D
SMILES: O=C1NCC2=C1C=C(O)C(=C2OC)OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
Compound: Inonotusol A
SMILES: O=C1C2=C([C@]3(CC[C@H](C(C3C1)(C)C)O)C)[C@H](O)C[C@]4([C@]2([C@@H](O)C[C@@H]4[C@@H]5[C@H](O)[C@@H](C(O)(C)C)CC5)C)C
Compound: Cyclopiamide H
SMILES: O=C1N(C=2C=CC=C3C2[C@@]1(O)[C@@H]4C(=O)NC([C@@H]4C3)(C)C)C
Compound: Phomanone A
SMILES: S([C@H]1C(=C(CO)C(C1)=O)C)C
Compound: Pyrrospirone C
SMILES: O=C1[C@@]23C(=O)N[C@@](C2)(OC)CC4=CC=C(O[C@H]5[C@@H]6[C@@H]1[C@@](C=C(C)[C@H]6[C@@]7(C[C@H](C)C[C@@H]([C@@H]57)C)C)(C)[C@@H](C3)O)C=C4
Compound: Lyngbyabellin G
SMILES: ClC(Cl)(CCC[C@@H]1OC(=O)C=2N=C([C@H](O)COC(C=3N=C([C@@H](OC([C@H]1C)=O)C(O)(C)C)SC3)=O)SC2)C
Compound: Chondrosterin J
SMILES: O=C(O)C1=C2[C@]([C@@H](O)[C@@H]3[C@H]2CC(C)(C)C3)(C)CC1