MonarchInit/C3PO huggingface dataset:
Compound: Penicillar D
SMILES: O1[C@H](/C=C/C=C)[C@H](O)C[C@H]1C
Compound: Phaeospelide A
SMILES: O=C1O[C@H](C[C@@H](O)C[C@@H](O)CC=C[C@@H](O)CC=C[C@@H](O)C[C@@H](O)C[C@H](CC=CC=CC=CC=CC=CC=CCC1)O)C
Compound: Pestalotheol I
SMILES: O=C(C1=C[C@H](O)[C@]2(O)C[C@@H](O[C@H]2C1)C(O)(C)C)C=C(C)C
Compound: Monapinone C
SMILES: O=C1O[C@@H](CC=2C1=C(O)C3=C(O)C=C(OC)C=C3C2)CC(O)CC(O)CC(O)CC(O)C
Compound: Nodulisporipyrone D
SMILES: O=C1O[C@H]([C@H](O)[C@@H](O)CCCCC)CC(=C1)OC
Compound: Enterocin
SMILES: O=C1OC(=CC(=C1)OC)[C@H]2[C@@]3(O)[C@H](O)[C@@H]4OC([C@]([C@@]2(O)C4)(O)[C@H]3C(=O)C5=CC=CC=C5)=O
Compound: (9S∗)-8-methyl-9,11-dichlorodiaporthin
SMILES: Cl[C@H](C=1OC(=O)C=2C(OC)=CC(=CC2C1)OC)[C@@H](O)CCl
Compound: Phaeospelide B
SMILES: O=C1O[C@H](C[C@@H](O)C[C@@H](O)CC=C[C@@H](O)CC=C[C@@H](O)C[C@@H](O)CC=CC=CC=CC=CC=CC=CCC1)C
Compound: Cytosporin S
SMILES: O1C([C@H](O)C[C@]23[C@H]1C(=C(C=CC[C@H](O)CCC)[C@@H](O)[C@H]2O3)CO)(C)C
Compound: Flavimycin B
SMILES: O1C(O)C=2C(=C(O)C(=C(C2[C@H]1[C@@H]3OCC=4C3=C(O)C(O)=C(O)C4COC)O)O)C
Compound: Planktopeptin BL1125
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](O)CO)CCC2=CC=C(O)C=C2)CCC(=O)N)C(=O)NC(C(=O)NC3CC[C@H](N([C@@H](C(N(C(C(N[C@H]1C(CC)C)=O)CC4=CC=C(OC)C=C4)C)=O)[C@@H](O)C)C3=O)O)CC(C)C)C
Compound: ICM0301 D
SMILES: Cl[C@H]1[C@](O)(C[C@H]2[C@@H]3O[C@]3(C)[C@H]([C@H]([C@@H]2C1)/C=C/C=C(/C(=O)C)\C)/C(=C/C)/C)C
Compound: Hinduchelin A
SMILES: O=C(NC[C@@H](O)C1=CC=CC=C1)C=2N=C(C3=C(OC)C(OC)=CC=C3)OC2C
Compound: Cytosporin T/U
SMILES: O1C([C@H](O)C[C@]23[C@H]1C(=C(/C=C/C(O)CCCC)[C@@H](O)[C@H]2O3)CO)(C)C
Compound: Arborcandin E
SMILES: O=C1NC(C(=O)NC(C(=O)NCC(=O)NCCC(=O)NC(CCCCCCCC(O)CCCCCC)C(NC(C(NC(C(NC(C(NC(C(NC1C(O)C)=O)CC(O)C(=O)N)=O)C)=O)CC(=O)N)=O)CC(=O)N)=O)CCC(O)CCCCCCCCCC)C(O)C
Compound: Penicisteroid A
SMILES: O=C(O[C@@H]1[C@@H]([C@]2(C[C@H](O)[C@H]3[C@H]([C@@H]2C1)[C@@H](O)[C@@H](O)[C@H]4C[C@@H](O)CC[C@]34C)C)[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Compound: Cyclamenol B
SMILES: O=C1NC[C@H](C=CC=C[C@H]2[C@@H]3[C@@H](C=C1)C=C[C@H]4C[C@H]([C@H]([C@@H]34)O2)O)C
Compound: Clavariopsin A
SMILES: O=C1O[C@@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(N([C@H](C(NCC(N([C@H](C(N[C@H]1CC3=CC=C(OC)C=C3)=O)C(C)C)C)=O)=O)[C@H](CC)C)C)=O)[C@H](CC)C)C)CC(=O)O)C)C(C)C)C(C)C)C)CCCC2)C(C)C
Compound: Hinduchelin B
SMILES: O=C(NCCC1=C(O)C=CC=C1)C=2N=C(C3=C(OC)C(OC)=CC=C3)OC2C
Compound: Cytosporin V
SMILES: O=C(O[C@@H]1C(=C([C@H]2OC(C)(C)[C@@H](C[C@]32[C@@H]1O3)O)CO)C=CCCCCC)C
Compound: Cyclamenol C
SMILES: O=C1NC[C@H](C=CC=C[C@@H]2[C@H]3[C@H](C=C1)C=C[C@@H]4C[C@H]([C@@H]([C@H]34)O2)O)C
Compound: (5S,S)-5-methyl-3-(7-methylnonyl)furan-2(5H)-one
SMILES: O=C1O[C@@H](C)C=C1CCCCCC[C@H](CC)C
Compound: Indoxamycin E
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\CO)/C)C)C
Compound: Hinduchelin C
SMILES: O=C(NCCC1=C(O)C=CC=C1)C=2N=C(C3=C(O)C(OC)=CC=C3)OC2C
Compound: Arigsugacin I
SMILES: O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C([C@H](O)CC5)(C)C)CC[C@]4(O3)C)C
Compound: Cytosporin W
SMILES: O=C1C(=C([C@H]2OC(C)(C)[C@@H](C[C@]32[C@@H]1O3)O)CO)C=CCCCCC
Compound: Deoxyscytalidin
SMILES: O=C1OC(=O)C2=C1C(CC=3C(=O)OC(C3CC(C2)CCCC)=O)CCCCC
Compound: Cyclamenol D
SMILES: O=C1NC[C@H](C=CC=C[C@H]2[C@H](C=CC(C1)=O)[C@H]3C=CC[C@@H]([C@H]3C=C2)O)C
Compound: SCH 40832
SMILES: S1C2=NC(=C1)C(=O)NC(C(=O)N/C(/C=3SCC(N3)C(=O)NC(C4=NC(C(NC5C6=NC(C7C2(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC8C(C=9N=C(C(OC5C)=O)C=C(C(O)C)C9C=C8)O)C(OC%10OC(C(O)C(C%10)OC%11OC(C(O)C(C%11)O)C)C)C)=C)=C)=C)CCC%12N7C(N=C%12SC)(C(=O)NC(C(=O)NC(C(=O)OC)=C)=C)CO)=CS6)=O)=CS4)C(O)(CC)C)=C\C)C(O)C
Compound: Hinduchelin D
SMILES: O=C(NCCC1=CC=CC=C1)C=2N=C(C3=C(O)C(OC)=CC=C3)OC2C
Compound: Spumigin C
SMILES: O=C(NC(C(=O)O)CCCN=C(N)N)[C@H]1N(C(=O)[C@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3)CCC1
Compound: Pestalotheol J
SMILES: O=C(C1=C[C@@H](O)[C@@]2(O)C[C@@H](O[C@H]2C1)C(O)(C)C)C=C(C)C
Compound: Blazeispirol Y
SMILES: O=C1C2=CC(=O)CC[C@@]2([C@@]3(O)C=C[C@]4([C@]5(C3=C1)O[C@@]6(OC(C)(C)[C@H]([C@H]6O)C)[C@@H](C)[C@H]4CC5)C)C
Compound: Cyclamenol A
SMILES: O=C1NC[C@H](C=CC=CC=CC=C[C@@H](CC=CC=CC=C1)O)C
Compound: Peaurantiogriseol A
SMILES: O=C([C@@]1([C@@H]2[C@@H](C=C[C@@H]1C)[C@H](O)[C@@H](C)CC2)C)CCO
Compound: Varioxiranol A
SMILES: O(C1=C(C(=CC=C1)/C=C/[C@@H](O)[C@@H](O)CCC)CO)C
Compound: Banksiamarin A
SMILES: O=C1OC(C(=O)OC)=CC=2C1=C(O)C(=C(O)C2C)C
Compound: Pestalotheol K
SMILES: O1[C@@H]2[C@@]3(O[C@@H]3[C@H](O)C(C2)=CC=C(CO)C)C[C@@H]1C(O)(C)C
Compound: Penicyclone A
SMILES: O=C1C=C([C@@H](O)[C@H]([C@]12OC(=O)[C@H](C)CC2)O)C
Compound: Penerpene A
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C(=O)[C@@]5(OCNC6=C5C=CC=C6)C[C@@H]4CC3)C)(CC[C@@H]2O[C@@H]1C(O)(C)C)C
Compound: Saponaceoic acid III
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)CC[C@@H](O)C(=C)C
Compound: Banksiamarin B
SMILES: O=C1OC(C(=O)O)=CC=2C1=C(O)C(=C(O)C2C)C(=O)OC
Compound: (1R,3R.4S)-4-hydroxyaustrocortilutein
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1[C@H](O)C[C@]([C@H]3O)(O)C
Compound: cefoxitin
SMILES: [H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)Cc1cccs1)OC)C(O)=O
Compound: Pestalotheol L
SMILES: O1[C@H]2C=C(C#CC(=C)C)[C@@H](O)[C@H]([C@@]2(O)C[C@@H]1C(O)(C)C)O
Compound: 2-(1H-indol-3-yl)ethyl 2-hydroxypropanoate
SMILES: O=C(OCCC=1C2=C(C=CC=C2)NC1)[C@@H](O)C
Compound: Sansanmycin J
SMILES: S(CC[C@H](NC(=O)N[C@H](C(=O)O)CC1=CC=C(O)C=C1)C(=O)N[C@H](C(=O)N/C=C/2\O[C@@H](N3C(=O)NC(=O)C=C3)[C@@H](C2)O)[C@@H](N(C(=O)[C@H]4NCC=5C=CC(=CC5C4)O)C)C)C
Compound: Penerpene B
SMILES: O=C1C2=C3C(=NC4=C2OC(C)(C)[C@@H]4O)C[C@H]5CC6=C([C@@]5([C@@]3(C)CC1)C)NC=7C=CC=CC67
Compound: Banksialactone B
SMILES: O=C1O[C@H]([C@](O)(C)C=2C1=C(O)C=C(OC)C2C)C
Compound: Viridiofungin A
SMILES: O=C(O)C(O)(C(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)/C=C/CCCCCCC(=O)CCCCCCC)CC(=O)O
Compound: Pestalotheol M
SMILES: O1[C@@H]2C=C(C#CC(=C)C)[C@H](O)[C@H]([C@@]2(O)C[C@H]1C(O)(C)C)O
Compound: Okaramine O
SMILES: O=C1N2[C@H]3N(C=4C=CC=CC4[C@@]3(O)C[C@H]2C(=O)N5[C@H]1[C@@H](O)C=6C7=C(C=CC=C7)NC6C(C=C5)(C)C)C(C=C)(C)C
Compound: Coniothyrinone A
SMILES: O=C1C2=C(O)C=C(C)C=C2[C@@H](O)[C@@H]3[C@@H]1[C@H](O)[C@@H](O)C=C3
Compound: Penerpene C
SMILES: O=C1C=2C(=O)O[C@@]3(C2[C@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4C3)C)(C)CC1)O
Compound: Banksialactone C
SMILES: O=C1O[C@H]([C@](O)(C)C=2C1=C(O)C=C(O)C2C)C
Compound: Pestalotheol N
SMILES: O1[C@@H]2[C@](O)([C@@H](O)[C@H](O)C(C2)=C=CC(=C)C)C[C@@H]1C(O)(C)C
Compound: (2S,3S)-3,7-Dihydroxy-2,5-dimethyl-chroman-4-one
SMILES: O=C1C2=C(O[C@H]([C@@H]1O)C)C=C(O)C=C2C
Compound: Myrothecol C
SMILES: O=C1C=C([C@H](O)[C@@H]2[C@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCC[C@]4(CO)C)C)CO
Compound: 3-bromo-4-methoxybenzyl alcohol
SMILES: BrC1=C(OC)C=CC(=C1)CO
Compound: Penerpene D
SMILES: O=C1O[C@H]2CC[C@]3([C@@](C2=C1)(O)CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C
Compound: Pestalotheol O
SMILES: O=C(O[C@@H]1[C@@]2(O)[C@@H](O[C@H](C2)C(O)(C)C)CC([C@H]1O)=C=CC(=C)C)C
Compound: Banksialactone D
SMILES: O=C1O[C@H]([C@](O)(C)C=2C1=C(OC)C=C(OC)C2C)C
Compound: Victorin D
SMILES: Cl/C=C\1/NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(O)O)CC(C(Cl)Cl)C)[C@H](O)CCCN)[C@@H](OC=2CCC(C2CC(NC1=O)C(=O)O)=O)C(C)C
Compound: Pyoverdin
SMILES: O=C(NC(C1=NCCC(N1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)CCCN(O)C=O)CCC(=O)N)CCC(=O)N)CCCN(O)C=O)CO)[C@H]2[N+]3=C(NCC2)C(NC(=O)CCC(=O)O)=CC=4C3=CC(O)=C(C4)O
Compound: Corynechromone K
SMILES: O=C1C2=C(OC(=C1)C)C=C(O)C=C2CC(=O)OCC
Compound: Emerione A
SMILES: O=C([C@@H]([C@H](O)[C@]1([C@H](/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)[C@@]4(C=C(C)[C@@H]5[C@]([C@H]14)(O5)C)C)C)C)C(C)C
Compound: Banksialactone E
SMILES: S(CC1(OC(=O)C=2C(O)=CC(=C(C2[C@@H]1C)C)OC)O)CC(O)C(=O)O
Compound: Pestalotheol P
SMILES: O=C1C2=C(OC([C@H]1O)(C)C)[C@H](O)[C@]3(O)C[C@@H](O[C@H]3C2)C(O)(C)C
Compound: (5beta,6alpha)-6,11-Dihydroxyeudesmane
SMILES: OC([C@H]1[C@H](O)[C@H]2[C@@](CCC[C@H]2C)(C)CC1)(C)C
Compound: Frenolicin G
SMILES: S(C12C(=O)C3=C(C(O)=CC=C3)C([C@]1(O)[C@@H](O[C@H](C2)CC(=O)O)CCC)=O)C45C(=O)C6=C(C(O)=CC=C6)C([C@@]4(O)[C@H](O[C@@H](C5)CC(=O)O)CCC)=O
Compound: Emerione B
SMILES: O=C([C@@H]([C@H](O)[C@@]1([C@@H](/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)[C@]4(C=C(C)[C@H]5[C@@]([C@@H]14)(O5)C)C)C)C)C(C)C
Compound: 2,3,4-trihydroxy-6-(hydroxymethyl)-5-methylbenzylacohol
SMILES: OC1=C(O)C(=C(CO)C(=C1O)C)CO
Compound: 3beta-acetoxy-agathic acid
SMILES: O=C(O)/C=C(/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CC[C@@H]([C@@]2(C(=O)O)C)OC(=O)C)C)\C
Compound: Banksialactone F
SMILES: S(=O)(CC1(OC(=O)C=2C(O)=CC(=C(C2[C@@H]1C)C)OC)O)C
Compound: (3aS,4R)-7-(hydroxymethyl)-2,2-dimethyl-5-methylidenespiro[1,3,3a,4-tetrahydroindene-6,1'-cyclopropane]-4-ol
SMILES: O[C@H]1C(=C)C2(C(CO)=C3[C@@H]1CC(C)(C)C3)CC2
Compound: Alaremycin
SMILES: O=C(O)CCC(=O)C(NC(=O)C)=C
Compound: Emerione C
SMILES: O=C([C@@H]([C@H](O)[C@@]1([C@@H](/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)[C@]4([C@@H]5OO[C@]([C@@H]14)(C=C5C)C)C)C)C)C(C)C
Compound: Geralcin D
SMILES: O=C1OCC=C1CCC(=O)N2OC(C(O)OC(=N2)C)CCCC
Compound: Austalide Y
SMILES: O=C1OCC=2C1=C(O)C3=C(O[C@]4(CC[C@H]([C@@]([C@H]4C3)(CCC(=O)OC)C)C(O)(C)C)C)C2C
Compound: Banksialactone G
SMILES: O=C1OC(O)([C@@H](C)C=2C1=C(O)C=C(OC)C2C)COC(=O)C3=C(O)C=C(O)C(=C3C)C
Compound: Antascomicin E
SMILES: O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@@H](O)[C@H](O)CC3)C)CC[C@@H](C=CCCC=CC([C@@H]([C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)C)=O)CO)CCCC2
Compound: Sch 202596
SMILES: ClC1=C(O[C@@H]2C(C(=O)OC)=C[C@@H](O)[C@H]([C@@H]2O)O)C3=C(O[C@]4(C3=O)C(OC)=CC(=O)C=C4C(=O)OC)C(=C1C)Cl
Compound: Mabetaarinolin B
SMILES: O=C(O)/C(=C/[C@@H](O)C[C@@]12[C@@H]3[C@](CC[C@H]1C3)(C)OC2)/C
Compound: Thaxteramide A1
SMILES: O=C(O)[C@H](NC(=O)C(CNC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC(N)C(CC=CC1=CC=CC=C1)C)CO)C(O)C)CC2=CC=C(OC)C=C2)C)CC3=CC=C(O)C=C3
Compound: 3beta-hydroxy-agathic acid
SMILES: O=C(O)/C=C(/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CC[C@@H]([C@@]2(C(=O)O)C)O)C)\C
Compound: Banksialactone H
SMILES: O=C1OC(O)([C@@H](C)C=2C1=C(O)C=C(OC)C2C)COC(=O)C3=C(O)C(=C(O)C(=C3C)C)C
Compound: 2,3-Dimethyl-butanoic acid methyl ester
SMILES: O=C(OC)[C@H](C(C)C)C
Compound: (S)-5,7-dichloro-6-methoxy-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid
SMILES: ClC1=C(OC)C(Cl)=C2O[C@H](CC2=C1C(=O)O)C
Compound: Thaxteramide A2
SMILES: O=C(O)[C@H](NC(=O)C(CNC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC(N)C(CC=CC1=CC=CC=C1)C)CO)C(O)C)CC2=CC=C(O)C=C2)C)CC3=CC=C(O)C=C3
Compound: 1,6-phenazine-diol-D-arabinofuranosid
SMILES: O1C(OC=2C3=NC=4C(=C(O)C=CC4)N=C3C=CC2)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: 5'-hydroxy-6'-ene-epicoccin G
SMILES: S([C@@]12N(C(=O)[C@]3(SC)C[C@H]4[C@H](N3C1=O)[C@@H](O)C=C[C@@H]4O)[C@@H]5[C@@H](O)CCC([C@@H]5C2)=O)C
Compound: Banksialactone I
SMILES: O=C1OC(O)([C@@H](C)C=2C1=C(O)C=C(OC)C2C)COC(=O)C3=C(O)C=4C(=O)C5=C(O)C=C(O)C=C5C(C4C=C3C)=O
Compound: Lactococcin mmfii
SMILES: SCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(N)C(O)C)CO)CC1=CC=C(O)C=C1)CC(=O)N)C(C)C)CC=2NC=NC2)C(=O)NC(C(=O)N)CC(=O)N
Compound: 12-oxocurvularin
SMILES: O=C1O[C@H](CCC(=O)CCC(C2=C(C1)C=C(O)C=C2O)=O)C
Compound: Thaxteramide B1
SMILES: O=C(O)[C@H](NC(=O)CCNC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC(N)C(CC=CC1=CC=CC=C1)C)CO)C(O)C)CC2=CC=C(OC)C=C2)CC3=CC=C(O)C=C3
Compound: Dictyophorine B
SMILES: O=C1[C@H]2C(=CC(=O)C[C@]2(CC[C@@H]1C(=C)C)C)C
Compound: 7-methoxy-7'-hydroxyepicoccin G
SMILES: S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)[C@@H](O)CC4=O)[C@@H]5[C@@H](O)[C@@H](OC)CC([C@@H]5C2)=O)C
Compound: Eutypellenone A
SMILES: O=C1C(O)=C2[C@]([C@@H](OC(=O)C)C[C@H]3[C@@]2(O)[C@@]4(C1=C[C@](C=C)(CC4)C)C3)(COC(=O)C(C)C)C
Compound: Isochromophilone VII
SMILES: ClC=1C(=O)C(OC(=O)C)(C(=O)C2(C1C=C(OC2)/C=C/C(=C/C(CC)C)/C)O)C
Compound: Flavicerebroside B
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCC)\C)CO[C@@H]1OC([C@H](O)C(C1O)O)CO)[C@H](O)/C=C/CCCCCCCCCCCCCC
Compound: Eutypellenone B
SMILES: O=C1C(O)=C2[C@]([C@@H](OC(=O)C)C[C@H]3[C@@]2(OC)[C@@]4(C1=C[C@](C=C)(CC4)C)C3)(COC(=O)C(C)C)C
Compound: Thaxteramide B2
SMILES: O=C(O)[C@H](NC(=O)CCNC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC(N)C(CC=CC1=CC=CC=C1)C)CO)C(O)C)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3
Compound: Agnosterone
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CCC=C(C)C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: 8'-acetoxyepicoccin D
SMILES: S1[C@@]23N(C(=O)[C@@]45S[C@H]6CC([C@@H]([C@H](N4C2=O)[C@H]6O)C5)=O)[C@@H]7[C@H]([C@@H]1CC(=O)[C@@H]7C3)OC(=O)C
Compound: Micropeptin MM916
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=CC=C4)C)=O)[C@H](O)CC2)CC(C)C)O
Compound: Thaxteramide C
SMILES: O=C(O)[C@@H](NC(=O)CCNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(N)C(CCCC(=CC)C)C)CC(=O)N)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Libertellenone O
SMILES: O=C1C(O)=C2[C@@]([C@H](OC(=O)C)C[C@@H]3[C@]2(C3)[C@@]4(C1=C[C@@](C=C)(CC4)C)O)(COC(=O)C)C
Compound: Diaporthein B
SMILES: O=C1C2=C[C@@](C=C)(C[C@H](C2(O)[C@]34CCCC([C@@]4([C@]1(OC3)O)O)(C)C)O)C
Compound: Javanicin
SMILES: O=C1C2=C(O)C(OC)=CC(=C2C(=O)C(=C1CC(=O)C)C)O
Compound: 7'-demethoxyrostratin C
SMILES: S1S[C@]23N([C@@H]4[C@@H](O)CCC([C@@H]4C2)=O)C([C@]15N([C@@H]6[C@@H](O)[C@H](OC)CC([C@@H]6C5)=O)C3=O)=O
Compound: AT2433-A3
SMILES: ClC1=C2N(C=3C=4NC=5C=CC=CC5C4C6=C(C3C2=CC=C1)C(=O)NC6=O)[C@@H]7O[C@@H]([C@@H](OC)[C@@H]([C@H]7O)O)CO[C@@H]8OC[C@H](NC)[C@H](C8)O
Compound: Thaxteramide D
SMILES: O=C(O)[C@@H](NC(=O)CCNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Libertellenone P
SMILES: O=C1C(O)=C2[C@@]([C@H](OC(=O)C)C[C@@H]3[C@]2(C3)[C@@]4(C1=C[C@@](C=C)(CC4)C)O)(COC(=O)CC)C
Compound: Kibdelone B
SMILES: ClC=1C=2C(=O)C3=C(C4=C(O)C=5C(=O)C6=C([C@@H](O)C[C@@H]([C@@H]6O)O)OC5C(=C4CC3)OC)C(C2C(=O)N(C1CCC)C)=O
Compound: Varioxiranol G
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](O)C(OCC5=C(OC)C=CC=C5/C=C/[C@@H](O)[C@@H](O)/C=C/C)(C)C
Compound: (+)-5-hydroxydiphenylalazine A
SMILES: O=C/1N[C@@H](C(=O)N(\C1=C/C2=CC=CC=C2)C)CC3=C(O)C=CC=C3
Compound: Enhygrolide B
SMILES: O=C1O/C(=C/C2=CC=CC=C2)/C(=C1CC3=CC=C(O)C=C3)CC(C)C
Compound: Libertellenone Q
SMILES: O=C1C(O)=C2[C@@]([C@H](O)C[C@@H]3[C@]2(C3)[C@@]4(C1=C[C@@](C=C)(CC4)C)O)(COC(=O)C(C)C)C
Compound: Asperaculane B
SMILES: O=C1C=C(CC)[C@@H]2[C@@]1([C@@H](O)CC(CO)=CC2)C
Compound: (-)-xylaridine C
SMILES: S1C=2C(=NC(C)(C)C(C2C)=O)C[C@]3(C1=C(C(=O)C(C)(C)N3)C)C
Compound: Disorazole-A2
SMILES: O=C1OC(C(C(O)/C=C/C)(C)C)CC=CC=CC=CC(O)CC=2OC=C(N2)C(=O)OC(CC=CC3C(C=CC=CC4=NC1=CO4)O3)C(C(O)/C=C/C)(C)C
Compound: (-)-5-hydroxydiphenylalazine A
SMILES: O=C/1N[C@H](C(=O)N(\C1=C/C2=CC=CC=C2)C)CC3=C(O)C=CC=C3
Compound: 1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-2-one
SMILES: O=C1N(CCC1)CC(=O)C=2OC=CC2
Compound: Libertellenone R
SMILES: O=C1C2=C([C@@]34[C@@H](C[C@H]([C@]([C@@H]3[C@H]1O)(COC(=O)C(C)C)C)OC(=O)C)C4)CC[C@]([C@H]2O)(C=C)C
Compound: Nhatrangin B
SMILES: BrC1=C(C=C(O)C=C1)C(OC)CC[C@@H]([C@@H](OC(=O)C[C@@H](O)[C@H](O)C)[C@H](C(=O)O)C)C
Compound: 11-hydroxychevalone C
SMILES: O=C1C2=C(OC(=C1)C)O[C@]3(C[C@H](O)[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)C
Compound: (+)-trieffusol D
SMILES: O=C1C2=C(O)C(=C(O)C=C2O[C@@H](C1)C)CC
Compound: (+)-xylaridine C
SMILES: S1C=2C(=NC(C)(C)C(C2C)=O)C[C@@]3(C1=C(C(=O)C(C)(C)N3)C)C
Compound: Eupha-7(8),24-diene
SMILES: C12=CC[C@H]3C(CCC[C@@]3([C@H]1CC[C@@]4([C@@]2(CC[C@H]4[C@@H](CCC=C(C)C)C)C)C)C)(C)C
Compound: Libertellenone S
SMILES: O=C1[C@H](O)C2=C(CC[C@]([C@H]2O)(C=C)C)[C@]34[C@@H]1[C@@]([C@H](OC(=O)C)C[C@H]3C4)(COC(=O)C(C)C)C
Compound: SCH 66878
SMILES: OC(C(O)CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)C)C)C)C)C)C
Compound: Dihydroisoustilaginoidin A
SMILES: O=C1C(C2=C(O)C=C(O)C=3C2=CC=4O[C@@H](C)CC(C4C3O)=O)=C5C(=C(O)C6=C(O)C=C(OC6=C5)C)C(=C1)O
Compound: Pestalrone A
SMILES: O=C1O[C@](OC)(C[C@@H]2[C@H]1O2)CC(O)CCC
Compound: (-)-trieffusol D
SMILES: O=C1C2=C(O)C(=C(O)C=C2O[C@H](C1)C)CC
Compound: (+)-xylaridine D
SMILES: S1C=2C(=NC(C)(C)C(C2CCC3=C4SC5=C(C(=O)C(C)(C)N[C@]5(C)CC4=NC(C3=O)(C)C)C)=O)C[C@@]6(C1=C(C(=O)C(C)(C)N6)C)C
Compound: Linfuranone B
SMILES: O=C1C(=C(C[C@H](O)CCC=CC=C[C@H]([C@@H](O)C(=C[C@H](OC(=O)CCCC)C)C)C)OC1(O)C)C
Compound: 4-O-acetyl hygrophorone C12
SMILES: O=C1C=C[C@H]([C@]1(O)C(=O)CCCCCCCCCCCC)OC(=O)C
Compound: (-)-xylaridine D
SMILES: S1C=2C(=NC(C)(C)C(C2CCC3=C4SC5=C(C(=O)C(C)(C)N[C@@]5(C)CC4=NC(C3=O)(C)C)C)=O)C[C@]6(C1=C(C(=O)C(C)(C)N6)C)C
Compound: Largamide C
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)O[C@H](C)[C@@H](C(N[C@H](C(N\C1=C/C)=O)C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C=C(C)C)C(C)C)CC2=CC=C(O)C=C2)CCCCC3=CC=C(O)C=C3)CCC(=O)O
Compound: Pseudoxylallemycin E
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1CC2=CC=C(OCC=CC)C=C2)=O)CC(C)C)C)CC3=CC=CC=C3)CC(C)C)C
Compound: Trieffusol B
SMILES: O=C1C2=C(OC=3C[C@H](O)[C@](C(C3C2C4=CC=C(O)C=C4)=O)(O)CC)C[C@@H]([C@@]1(O)CC)O
Compound: Linfuranone C
SMILES: O=C1C(=C(C[C@H](O)CCC=CC=C[C@H]([C@@H](O)C(=C[C@H](C(=O)CCCC)C)C)C)OC1(O)C)C
Compound: 2-(Y(E)-propenyl)-octa-4(E),6(Z)-diene-1,2diol
SMILES: O[C@](/C=C/C)(CO)C/C=C/C=C\C
Compound: Meso-xylaridine D
SMILES: S1C=2C(=NC(C)(C)C(C2CCC3=C4SC5=C(C(=O)C(C)(C)N[C@]5(C)CC4=NC(C3=O)(C)C)C)=O)C[C@]6(C1=C(C(=O)C(C)(C)N6)C)C
Compound: Luminacin A1
SMILES: O=C(C1=C(O)C=C(O)C(=C1)C(=O)C(C)C)C([C@@H]2O[C@@H](O)[C@]3(O[C@H]3CC)[C@@H](C2)O)C(C)C
Compound: 3alpha,16alpha,26-trihydroxylanosta-7,9(11),24-trien-21-oic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC3)C)=CC2)(C)C[C@H]1O)C)CC/C=C(/CO)\C
Compound: Oxichaetoglobosin E/F
SMILES: O=C1C(=C[C@H](CC=C[C@@H]2[C@]3(C(CC[C@@H]1O)=O)C(=O)N[C@H]([C@@H]3C(C)=C([C@H]2O)C)C(OC)C=4C5=C(C=CC=C5)NC4)C)C
Compound: Trieffusol C
SMILES: O=C1C=C(OCCC2=CC=C(O)C=C2)C[C@@H]([C@]1(O)CC)O
Compound: 8'-hydroxyascochlorin
SMILES: ClC1=C(O)C(=C(O)C(=C1C)C=O)C/C=C(/C=C/[C@@]2([C@H](C(=O)C[C@@H]([C@H]2C)O)C)C)\C
Compound: [(3E,5E,7R,8S,12S,14E,16S)-21-chloro-8-hydroxy-7,22-dimethoxy-3,13,15-trimethyl-10,18-dioxo-11-oxa-9,19-diazatricyclo[18.3.1.18,12]pentacosa-1(24),3,5,14,20,22-hexaen-16-yl] carbamate
SMILES: ClC1=C(OC)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H](C(C=C([C@H](CC(NC1=C2)=O)OC(=O)N)C)C)C3)=O)C
Compound: Truncateol M
SMILES: Cl[C@H]1C=2OC(CC(C2C[C@H]3[C@@]1(O)C[C@H](C(O)(C)C)O3)=O)(C)C
Compound: Trieffusol E
SMILES: O=C(C1=C(O)C2=C(OCC2)C=C1OC)/C=C/C
Compound: Liposidomycin-A-(I)
SMILES: S(=O)(=O)(OC1C(OC(C1O)CN)OC(C2N(CC(OC(=O)CC(OC(=O)CC(CC(=O)O)C)CCCC/C=C/C/C=C/CCCC)C(N(C2=O)C)C(=O)O)C)C3OC(N4C(=O)NC(=O)C=C4)C(C3O)O)O
Compound: Oxichaetoglobosin G/H
SMILES: O=C1C(=C[C@H](CC=C[C@@H]2[C@]3(C(CC[C@@H]1O)=O)C(=O)N[C@]4([C@@H]3[C@H](C)[C@]([C@H]2O)(C)O4)CC56OC5NC7=C6C=CC=C7)C)C
Compound: N-Phenylacetyl-L-tryptophan
SMILES: O=C(O)[C@@H](NC(=O)CC1=CC=CC=C1)CC=2C3=C(C=CC=C3)NC2
Compound: (14S,16S,2R,3E,5E,12S,13E)-84-chloro-14,85-dihydroxy-2-methoxy-6,13,15-trimethyl-12,10-dioxo-9-aza-1(4,6)-oxazinana-8(1,3)-benzenacyclopentadecaphane-3,5,13-trien-12-yl methylcarbamate
SMILES: ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H](C(C=C([C@H](CC(NC1=C2)=O)OC(=O)NC)C)C)C3)=O)C
Compound: Salinilactam
SMILES: O=C1NC(CC=CC=CC=C(C=CC=CC=C[C@@H](C[C@@H](C([C@@H](C(C=CC=C1)C)O)O)O)O)C)C
Compound: Trieffusol F
SMILES: O=C1OCC2=C1C=C(CCC)C(=C2O)CO
Compound: Oxichaetoglobosin I
SMILES: O=C1C(=C[C@H](CC=C[C@@H]2[C@]3(C(CC[C@@H]1O)=O)C(=O)N[C@]4([C@@H]3[C@H](C)[C@]([C@H]2O)(C)O4)CC(=O)C5=C(N)C=CC=C5)C)C
Compound: Cyclothialidine B
SMILES: S1CC2=C(O)C=C(O)C=C2C(=O)OC[C@@H](C(N[C@@H](C1)C(=O)N[C@H](C(=O)O)C)=O)NC(=O)[C@H]3N(C(=O)[C@@H](N)C)CC[C@H]3O
Compound: Chromoazepinone C
SMILES: O=C1NC(C(=O)O)=CC2=C([C@@H]1C=3C4=C(C=CC=C4)NC3)NC=5C=CC=CC25
Compound: Indothiazinone
SMILES: S1C(=NC=C1)C(=O)C=2C3=C(C=CC=C3)NC2
Compound: Meroindenon
SMILES: O=C1C2=C(O)C=C(O)C=C2C([C@@]1(CC(=C(C)C)C/C=C(/CCC=C(C)C)\C)C)=O
Compound: Dermacozine M
SMILES: O=C1NC(=O)C(C2=CC=CC=C2)=C3C1=C4N(C5=C(C(C(=O)N)=CC(=C5)C(=O)C6=CC=CC=C6)N=C4C=C3)C
Compound: (7S,11S,12S)-1'-methoxycystoketal
SMILES: O1C(=C[C@@]2(CCC[C@@]2([C@]13OC(C)(C)C=C3)C)C)C/C(=C/CC4=C(OC)C(=CC(=C4)OC)C)/C
Compound: V214w
SMILES: O=C1[C@H](O)[C@]23C(=O)OC([C@H]2OC(C1)[C@H]3C)=C
Compound: aldehydo-D-glucosamine
SMILES: [H]C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
Compound: L-Prolylhydroxy-L-proline diketopiperazi
SMILES: O=C1N2[C@H](C(=O)N3[C@H]1C[C@@H](O)C3)CCC2
Compound: Aspochalasinol A
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC([C@H](CC1)O)=O)C)CO)CC(C)C
Compound: Merochlorin E
SMILES: Cl[C@@]1(C(=O)C2=C(O)C=C(O)C=C2C([C@]1(O)CC(=C(C)C)C[C@@H]3C(=CCCC3(C)C)C)=O)C
Compound: Emestrin L
SMILES: S([C@]1(NC(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](OC(=O)C)C=COC3)CC4=C(O)C=CC=C4)C
Compound: Coniothyrinone C
SMILES: O=C1C2=C(O)C=C(C)C=C2[C@@H](O)[C@@H]3[C@@H]1C[C@H](O)[C@@H](C3)O
Compound: W1278-B
SMILES: O=C(O[C@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@H](CC2=C(C(O)=CC(=C2)O)C(=O)O)C)C)C3=C(O)C=C(O)C=C3C[C@@H](OC(=O)C4=C(O)C=C(O)C=C4C[C@@H](OC(=O)C5=C(O)C=C(O)C=C5C)C)C
Compound: Merochlorin F
SMILES: Cl[C@@]1(C(=O)C2=C(O)C=C(O)C=C2C([C@]1(O)CC(=C(C)C)C[C@H]3C(=CCCC3(C)C)C)=O)C
Compound: Aspochalasinol B
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC([C@@H](CC1)O)=O)C)CO)CC(C)C
Compound: Mollisinol B
SMILES: O=C(O)CCCCC[C@H](O)C[C@@H](O)[C@@H](O)C/C=C/CCCCC
Compound: ImDKP
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC(C)C)C
Compound: Emestrin M
SMILES: S([C@]1(NC(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](O)C=COC3)CC4=C(O)C=CC=C4)C
Compound: Cyclo-(L-Trp-L-Tyr), (C) Cyclo-(L-Trp-L-Ile), (D) Cyclo-(L-Trp-L-Leu)
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC2=CC=C(O)C=C2)CC=3C4=C(C=CC=C4)NC3
Compound: Talaromyolide A
SMILES: O=C1O[C@@H]([C@H](O)C=2C1=C(O)C=C3O[C@@]4(C[C@]5([C@]6([C@]4(CC23)O[C@](O5)(C(C)C)C6)C)O)C)C
Compound: Aspochalasinol C
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H](C(CC1)=O)O)C)CO)CC(C)C
Compound: Ribisin D
SMILES: O=C1C=2C3=C(C(O)=CC=C3)OC2[C@H](O)[C@H]([C@@H]1OC)OC
Compound: Acetyl-leucyl-valyl-argininal
SMILES: O=C(NC(C=O)CCCN=C(N)N)C(NC(=O)C(NC(=O)C)CC(C)C)C(C)C
Compound: Kakeromamide B
SMILES: S1C2=NC(=C1)C(=O)N[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(N([C@H](C(N([C@H](C(N[C@H]2C)=O)CC3=CC=C(OC)C=C3)C)=O)CC4=CC=C(OC)C=C4)C)=O)C)CCCCC
Compound: Engyodontiumone H
SMILES: O=C1C2=C(OC3=C1[C@H](C(=O)OC)[C@H](O)C=C3)C=C(CO)C=C2O
Compound: Talaromyolide B
SMILES: O=C1O[C@@H]([C@H](O)C=2C1=C(O)C=C3O[C@@]4(CC[C@]5([C@]6([C@]4(CC23)O[C@](O5)(C(C)C)CC6)C)O)C)C
Compound: Coprisidin A
SMILES: O=C1C(=O)C(=C(O)C2=C1C=C([C@@H]3C(=O)NC=4C3=C(O)C=CC4)C(=C2OC)O)CCC
Compound: aldehydo-D-glucosamine 6-phosphate
SMILES: [H]C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
Compound: Aspochalasinol D
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@@H](C(CC1)=O)O)C)CO)CC(C)C
Compound: Oxycineromycin B
SMILES: O=C1O[C@@H]([C@@H](CCC=C(C)[C@H](C=C[C@](C=C1)(O)C)O)C)C
Compound: Norpupukeanane A
SMILES: O=C1[C@H]2[C@H]3[C@@](C)(CC1)C[C@@H]2[C@@H](C(O)(C)C)C3
Compound: Violaceoid C
SMILES: OC1=C(C(=C(O)C=C1)CCCCCCC)CO
Compound: Erinacine J
SMILES: O=C1[C@@](CC[C@@]2([C@@H]1CC[C@@H]3[C@H](O[C@@H]4C5([C@H]3[C@@H]2O[C@@H]5OC[C@H]4O)O)O)C)(CCC(=O)C(C)C)C
Compound: Talaromyolide C
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C3O[C@@]4(CC[C@]5([C@]6([C@]4(CC23)O[C@](O5)(C(C)C)CC6)C)O)C)C
Compound: Oxichaetoglobosin A/B
SMILES: O=C1C(=C[C@H](CC=C[C@@H]2[C@]3(C(CC[C@@H]1O)=O)C(=O)N[C@H]([C@@H]3[C@H](C)[C@@]4([C@H]2O4)C)C(O)C=5C6=C(C=CC=C6)NC5)C)C
Compound: Mutadione A
SMILES: O=C1OC=2C=C(O)C(=C(C2C13C(=O)C(O)C(C3=O)CCCCCCC/C=C\C/C=C\CCCCC)CCCCCCC/C=C\C/C=C\CCCCC)O
Compound: 6-hydroxypunctaporonin E
SMILES: O[C@]12C(C[C@@H]1[C@]3([C@H](O)C=C[C@]3(C[C@@H]2O)C)CO)(C)C
Compound: Falconensin O
SMILES: ClC1=C(OC)C(=C(C)C(=C1O)Cl)C(=O)O[C@]2(C(=O)C=C3C=C(C=CC)OC[C@H]3[C@@H]2OC(=O)C)C
Compound: Oxichaetoglobosin C/D
SMILES: O=C1C(=C[C@H](CC=C[C@@H]2[C@]3(C(CC[C@@H]1O)=O)C(=O)N[C@H]([C@@H]3[C@H](C)C([C@H]2O)=C)C(OC)C=4C5=C(C=CC=C5)NC4)C)C
Compound: Pennicitrinone D
SMILES: O=C1C(=C2C3=C(O[C@@H]([C@H]2C)C)C=4C(O)=C(C)C5=C(C4OC3=C1)O[C@H](C)[C@@]5(O)C)C
Compound: Talaromyolide D
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C3O[C@@]4(CCC[C@@]([C@H]4CC23)([C@@H]5C([C@H](O)C5)(C)C)C)C)C
Compound: Sclerotiotide F
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=O)C)C
Compound: Sargabetaopenilline E
SMILES: O=C1C2=C(C[C@]3(O[C@H](C[C@@H](C3)O)C)OC2)C[C@H]([C@]1(O)C)O
Compound: Pestynol
SMILES: O[C@@H]1C(C#CC(=C)CC/C=C(/CCC=C(C)C)\C)=C[C@@H](O)[C@H]([C@@H]1O)O
Compound: Falconensin P
SMILES: ClC1=C(OC)C(=C(C)C(=C1O)Cl)C(=O)O[C@]2(C(=O)C=C3C=C(CCC)OC[C@H]3[C@@H]2OC(=O)C)C
Compound: Talaromytin
SMILES: O=C1OC([C@@]2(C(=C)[C@@]34O[C@@H]3[C@]5(OC([C@]67O[C@@H]([C@H]2OC(=O)/C(=C/C)/CO)[C@@]4([C@@]7(C(=O)O[C@@H]6C)[C@@]5(O)C=O)C)=O)C)C=C1)(C)C
Compound: (Z)-pterulinic acid
SMILES: Cl/C=C\1/C=CC=2C=C3C=C(CC(=O)O)OC3=CC2OC1
Compound: Cladosporin A
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=CC4)[C@@H]5[C@@H](OC(=O)C)C=CC=C5C2)C
Compound: Falconensin Q
SMILES: BrC1=C(O)C=C(OC)C(=C1C)C(=O)O[C@]2(C(=O)C=C3C=C(C=CC)OC[C@H]3[C@@H]2O)C
Compound: 3alpha-hydroxyartemisinic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@H]2C=C([C@H](O)C[C@H]2C(C)=CC1)C)C
Compound: Cladosin K
SMILES: O=C1NC(=C(C)C)C(=C1C(=NC2=CC=CC=C2)C[C@@H](NC3=CC=CC=C3)C[C@@H](O)C)O
Compound: WBP-29479A1
SMILES: O=C1N[C@@H](C(=O)NCCCC(=O)O[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(NCC(N([C@@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H]1C(C)C)=O)CCC(=O)O)=O)CCCN=C(N)N)=O)CC(C)C)=O)CC2=CC=CC=C2)C)=O)=O)CO)CCCN=C(N)N)C(C)C)CCCC(C)C)CC=3C4=C(C=CC=C4)NC3
Compound: Ganodernoid E
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3([C@H]1O)C)[C@@H](CC(=O)CC(C(=O)OC)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: (23R,24R,25R)-23,26-epoxy-3beta,14alpha,21alpha,22alpha-tetrahydroxyergost-7-en-6-one
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@@H]([C@](O)([C@H](O)[C@@H]4OC[C@@H]([C@H]4C)C)C)CC3)(CC[C@@H]2[C@@]5([C@H]1C[C@@H](O)CC5)C)C
Compound: Falconensin R
SMILES: BrC1=C(OC)C=C(OC)C(=C1C)C(=O)O[C@]2(C(=O)C=C3C=C(C=CC)OC[C@H]3[C@@H]2O)C
Compound: Dehydroarmillylorsellinate
SMILES: O=C(O[C@H]1C2=C(C=O)[C@@H](O)[C@@H]3CC(C[C@@H]3[C@@]2(C)C1)(C)C)C4=C(O)C=C(O)C=C4C
Compound: Tenebrathin
SMILES: O=[N+]([O-])C1=CC=C(/C=C(/[C@H]2O[C@@]2(CCCC=3C(=O)C=C(OC)OC3C)C)\C)C=C1
Compound: Cladosin H
SMILES: O=C1NC(=C(C)C)C(=C1C(=NC2=CC=CC=C2)C[C@H](OC)C[C@@H](O)C)O
Compound: Niveulone
SMILES: O=C1OC(=C(C)C2=C1C[C@@]3(C(=C[C@H](O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O2)C
Compound: Friulimicin C
SMILES: O=C1N2C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(NC(C(NC(C(N3C(C(NC(C1NC(=O)C(NC(=O)C/C=C/CCCCCC(CC)C)CC(=O)N)C)=O)CCC3)=O)C(C)C)=O)C(N)C)=O)CC(=O)O)CC(=O)O)C(C(=O)O)C)CCCC2
Compound: Falconensin S
SMILES: O=C1C=C2C=C(OC[C@H]2[C@@H]([C@]1(OC(=O)C3=C(OC)C=C(O)C=C3C)C)OC(=O)C)C=CC
Compound: F12509A
SMILES: O=C1C(O)=CC(=O)C(=C1C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCCC3(C)C)C)O
Compound: (-)-madurastatin C1
SMILES: O=C1N(O)CCC[C@H]1NC(=O)[C@H](NC)CCCN(O)C(=O)CCNC(=O)CNC(=O)[C@H]2N=C(C3=C(O)C=CC=C3)OC2
Compound: Cladosin I
SMILES: O=C1NC(=C(C)C)C(=C1C(=NC2=CC=CC=C2)C[C@@H](OC)C[C@@H](O)C)O
Compound: Marangucycline A
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC=4C3=C(O)C=C(C)C4)[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@H]([C@H](O)CC6)C)[C@@H](C5)O)C
Compound: Clazamycin B
SMILES: Cl[C@@H]1CN2C(=N)C=C[C@]2(C1)O
Compound: (2E,4E)-1-(2,6-dihydroxy-3,5-dimethyl-phenyl)hexa-2,4-dien-1-one
SMILES: O=C(C1=C(O)C(=CC(=C1O)C)C)/C=C/C=C/C
Compound: Chermesiterpenoid A
SMILES: O=C1O[C@H]([C@H](CCC[C@@H](C(=O)C)C)C)C[C@H]([C@H]1C)O
Compound: Madurastatin D1
SMILES: O=C1N(O)CCC[C@H]1N2C(=O)[C@@H](CCCN(O)C(=O)CCNC(=O)CNC(=O)[C@H]3N=C(C4=C(O)C=CC=C4)OC3)N([C@H]2C)C
Compound: Cladosin J
SMILES: O=C1NC(=C(C)C)C(=C1C(=NC2=CC=CC=C2)C[C@H](NC3=CC=CC=C3)C[C@@H](O)C)O
Compound: Cryptophycin-30
SMILES: ClC1=C(OC)C=CC(=C1)C[C@H]2NC(=O)C[C@H](O)C[C@H](OC(=O)[C@@H](OC([C@@H](CNC2=O)C)=O)CC(C)C)[C@@H](/C=C/C3=CC=CC=C3)C
Compound: CJ-16,170
SMILES: O=C1NC=C(C2=CC=CC=C2)C3=C1[C@]([C@H](/C(=C/C)/C)O3)(CO)C
Compound: Chermesiterpenoid B
SMILES: O=C1O[C@H]([C@H](CCC[C@H](C(=O)C)C)C)CC[C@H]1C
Compound: Penialidin B
SMILES: O=C1C2=C(C(O)=C(O)C=C2OC3=C1CCO[C@]3(OC)C)C(=O)O
Compound: Madurastatin D2
SMILES: O=C1N(O)CCC[C@H]1N2C(=O)[C@@H](CCCN(O)C(=O)CCNC(=O)CNC(=O)[C@H]3N=C(C4=C(O)C=CC=C4)OC3)N(C2(C)C)C
Compound: Izenamide B
SMILES: O=C(OC)[C@H]1N(C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@H](OC(=O)[C@@H](O)C(C)C)[C@H](CC)C)CC(C)C)[C@H](CC)C)C)C)CC2=CC=CC=C2)CCC1
Compound: Chaetopenoid C
SMILES: O=C1C=C2C=C[C@H](OC(=O)/C=C/C=C/[C@@H](CO)CC)[C@@H]([C@@]2(C)C[C@@]1(O)C(C(=O)O)=C)C
Compound: Paecilomycin D
SMILES: O=C1O[C@H]([C@H](O)C[C@H](O)[C@H](O)[C@H](O)/C=C/C[C@@H](O)C)C=2C1=C(O)C=C(OC)C2
Compound: Chermesiterpenoid C
SMILES: O=C1O[C@H]([C@@H](CCC[C@H]([C@@H](O)C)C)C)CC[C@H]1C
Compound: Izenamide C
SMILES: O=C(OC)[C@H]1N(C(=O)[C@H](N(C(=O)CNC(=O)[C@@H](NC(=O)[C@H](OC(=O)[C@@H](O)C(C)C)[C@H](CC)C)[C@H](CC)C)C)CC2=CC=CC=C2)CCC1
Compound: Verticilide A3
SMILES: O=C1OC(C(=O)N([C@H](C(=O)OC(C(=O)N([C@@H](C(=O)OC(C(N([C@H](C(OC(C(N([C@@H]1C)C)=O)CCCCC)=O)C)C)=O)CCCCC)C)C)CCCCC)C)C)CCCCCCC
Compound: (18R )-18-O-a-L-Rhamnopyranosyl-(1-6)-b-D-glucopyranosideof murolic acid
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO[C@@H]3O[C@H]([C@@H](O)[C@@H]([C@H]3O)O)C)C)[C@H](C1=C)C(=O)O
Compound: Xylarichalasin A
SMILES: ClC=1C2=C(C=CC=C2)C[C@H]3[C@H]4C1NC(=O)[C@]45[C@H](OC(=O)C)[C@@H]6[C@@H](O)[C@](O)(C(=O)C)[C@@H](C)C[C@H]6[C@@H]([C@H]5C[C@@H]3C)Cl
Compound: Methyl 8-hydroxyhexylitaconate
SMILES: O=C(O)C(=C)[C@H](C(=O)OC)CCCC(O)CC
Compound: Rufuslactone
SMILES: O=C1OCC2=C1C[C@]3([C@H]4CC(C[C@H]4[C@@H]2O3)(C)C)C
Compound: Pseudoalterobactin A
SMILES: S(=O)(=O)(O)C1=C(O)C(O)=C(C(=O)NCCCCC(N)C(O)CC(=O)NC(C(=O)NC(C(=O)NC2C(=O)NC(C(=O)NC(C(=O)NCC(NCCCC2)=O)C(O)C(=O)O)CCCCN)C(O)C(=O)O)CC(=O)N)C=C1
Compound: Izenamide A
SMILES: O=C(OC)[C@H]1N(C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@H](OC(=O)[C@@H](O)C(C)C)C(C)C)CC(C)C)[C@H](CC)C)C)C)CC2=CC=CC=C2)CCC1
Compound: Cytosporone T
SMILES: O=C(OC)CC1=C(C(O)=CC(=C1)O)CCCCCCCC
Compound: Purincyclamide
SMILES: O=C/1N2[C@H]3NC=4C=CC=CC4[C@@]3(C5=NC=6C(=O)NC(=NC6N5C)N)C[C@H]2C(=O)N\C1=C/C7=CC=C(O)C=C7
Compound: Thielavialide C
SMILES: O=C1C2=C(CO[C@]3(C2)O[C@H](CCC3)C)[C@@H]([C@@]1(O)C)O
Compound: Ethyl 9-hydroxyhexylitaconate
SMILES: O=C(O)C(=C)[C@H](C(=O)OCC)CCCC[C@H](O)C
Compound: Persipeptide B
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC2=CC=CC=C2)C)=O)CC3=CC=CC=C3)C(C)C)C(C)C)C
Compound: Meleagrin C
SMILES: O=C1N2/C(/C(=O)N[C@]23N(OC)C=4C=CC=CC4[C@]3(C(C=C)(C)C)C=C1O)=C/C=5N=CN(C5)C(CC(=O)C)(C)C
Compound: MDN-0185
SMILES: O=C1NC(=CC2=C1C(=O)[C@]3(O)C4=C(O)C5=C(O[C@@H]6[C@H](O)C=CC[C@H]6C5=O)C7=C4[C@@H](C[C@@H]3C2=O)OCO7)C
Compound: Doscadenamide A
SMILES: O=C1N(C(=O)[C@@H](CCCCC#C)C)[C@@H](CCCCNC(=O)[C@@H](CCCCC#C)C)C(=C1)OC
Compound: N-[(6S,7R)-3-butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-2,3-dihydroxybenzamide
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C(O)C(O)=CC=C2)C(=O)OC(C(CC)C)C(OC(C(C1(C)C)=O)CC(C)C)=O)C
Compound: Ethyl 8-hydroxyhexylitaconate
SMILES: O=C(O)C(=C)[C@H](C(=O)OCC)CCCC(O)CC
Compound: Pyrisulfoxin B
SMILES: [S@@](=O)(C1=C(N=C(C2=NC=CC=C2)C=C1OC)C#N)C
Compound: Neocopiamycin B
SMILES: O=C1OC(C(C=CC(O)C(C(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CCC(CCC(C(C(CC(C(C=C1)C)O)O)C)O)C)(O)C(O)C(C2)O)C)C)C(CC(CCC/C=C/CCCNC(=NC)N)C)C
Compound: Hawaiienol A
SMILES: O1[C@@]2(OC)[C@](O)(C3=CC=C(O)C=C3)[C@H]4[C@@H]1[C@@](O4)(C5=CC=C(OC)C=C5)[C@@H]2O
Compound: Myropeptin A1
SMILES: O=C(N1[C@H](C(=O)NC(C(=O)NC(C(=O)N2[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NCCC(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)NCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NCCC(=O)O)C)(C)C)(C)C)(C)C)(C)C)(C)C)C)(C)C)C)CCC2)(C)C)(C)C)CCC1)C(NC(=O)C(NC(=O)[C@H]3N(C(=O)C(NC(=O)CCCCCCCCCCC)(C)C)CCC3)(C)C)(C)C
Compound: Sorghumflavin A
SMILES: O=C1[C@]2(OC(=O)[C@@H](C2CC3C1CO[C@H]([C@H]3O)CCC(C)C)C(=O)CCCC)C
Compound: Dendryphiellide A
SMILES: O=C(O)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C
Compound: Radamycin
SMILES: S1C2=NC(=C1)C(=O)NC(C(=O)NCC=3OC(C)=C(N3)C(=O)NC(C=4SC=C(N4)C(NC(C5=NC(C(NC(C(NC(C6=NC(C7=C2C=CC(=N7)C(=O)NC(C(=O)NC(C(=O)N)=C)=C)=C(O6)C)=C)=O)=C)=O)=CS5)C)=O)C)C(C)C
Compound: Hawaiienol B
SMILES: O=C1[C@]2(O[C@@H]([C@]1(O)C3=CC=C(OC)C=C3)[C@H]([C@@]2(O)C4=CC=C(OC)C=C4)O)OC
Compound: Squalestatin V2
SMILES: O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CCC(=C)[C@@H](O)[C@@H](CC3=CC=CC=C3)C)C(=O)O)/C=C/C(O)(CC(CC)C)C
Compound: Myropeptin A2
SMILES: O=C(N1[C@H](C(=O)NC(C(=O)NC(C(=O)N2[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NCCC(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)NCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NCC(=O)O)C)(C)C)(C)C)(C)C)(C)C)(C)C)C)(C)C)C)CCC2)(C)C)(C)C)CCC1)C(NC(=O)C(NC(=O)[C@H]3N(C(=O)C(NC(=O)CCCCCCCCCCC)(C)C)CCC3)(C)C)(C)C
Compound: Tryptoquivaline H
SMILES: O=C1N(C=NC2=C1C=CC=C2)[C@H]3C(=O)O[C@@]4(C3)C5=C(C=CC=C5)N6[C@H]4N(O)[C@@H](C)C6=O
Compound: Penicitrinone G
SMILES: O=C1C=2O[C@H](C)[C@H](C2[C@@]3([C@H]4C(=O)C5=C([C@@]([C@H]1C3=O)(C4=O)C)[C@@H]([C@H](C)O5)C)C)C
Compound: 21-O-b-D-Glucopyranosyl-18S-hydroxydihydroprotolichesterinate
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@@H](O)C)[C@@H]([C@H]1C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO
Compound: Hawaiienol C
SMILES: O1C2(C3=CC=C(OC)C=C3)[C@@H](O)[C@@H](C1(C4=CC=C(OC)C=C4)[C@@H](O)[C@@H]2O)O
Compound: (11S,12S,13R)-11,13-dihydroxy-12-methyltetradecanoic acid
SMILES: O=C(O)CCCCCCCCC[C@H](O)[C@H]([C@H](O)C)C
Compound: Xentrivalpeptide G
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)C(C)C)C(=O)N[C@@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C(C)C)=O)C(C)C)=O)CC3=CC=CC=C3)C
Compound: Myropeptin B
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)CCNC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)CCNC(=O)C(NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)C(NC(=O)C(NC(=O)[C@H]2N(C(=O)C(NC(=O)C(NC(=O)[C@H]3N(C(=O)C(NC(=O)CCCCCCCCCCC)(C)C)CCC3)(C)C)(C)C)CCC2)(C)C)(C)C)CCC1)C)(C)C)C)(C)C)(C)C)(C)C)(C)C)(C)C
Compound: Andrastone C
SMILES: O=C1C(=C2O[C@H]3[C@H](O)[C@@H]4C([C@@H](OC(=O)C)CC[C@]4([C@@H]5C=C([C@@]1([C@]2(C(=O)OC)[C@@]35C)C)C)C=O)(C)C)C
Compound: Rulepidanol
SMILES: OC([C@H]1C=CC=C2[C@]1([C@H](CCC2)C)C)(C)C
Compound: Hawaiienol D
SMILES: O=C1[C@@](O)(C2=CC=C(OC)C=C2)[C@H](O)[C@@H](O)[C@]([C@@H]1O)(O)C3=CC=C(OC)C=C3
Compound: (1R,2R,4R,8S)-(-)-p-menthane-2,8,9-triol
SMILES: O[C@@]([C@H]1C[C@@H](O)[C@H](C)CC1)(CO)C
Compound: Sch 52900
SMILES: S1S[C@@]23N([C@H]4NC=5C=CC=CC5C4([C@@H]2O)[C@@]67C8=C(C=CC=C8)N[C@@H]6N9C(=O)[C@]%10(C)SS[C@@]9([C@H]7O)C(=O)N%10C)C([C@]1(N(C)C3=O)C(O)C)=O
Compound: Coprinoferrin
SMILES: O=C(N[C@H](C(=O)N)CCCN(O)C(=O)CCCCC)[C@@H](NC(=O)[C@@H](NC(=O)C)CCCN(O)C(=O)CCCCC)CCCN(O)C(=O)CCCCC
Compound: 9-Methyldecano-4-lactone
SMILES: O=C1O[C@@H](CCCCC(C)C)CC1
Compound: (3E,5E,7E)-3-methyldeca-3,5,7-triene-2,9-dione
SMILES: O=C(C(=CC=CC=CC(=O)C)C)C
Compound: Setosphapyrone C
SMILES: O=C1OC(=C(CCCC(=O)O)C(=C1)OC)C
Compound: Trichorovin-XIV
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(CO)CC(C)C)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)CCC(=O)N)CC(C)C)CC(C)C)(C)C
Compound: Tubulysin G
SMILES: S1C(=NC(=C1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C[C@@H](C(=O)O)C)[C@H](OC(=O)C)C[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]3N(CCCC3)C)[C@H](CC)C)COC(=O)C=C(C)C)C(C)C
Compound: 2-(hexadecanoylamino)-3-(4-methoxyphenyl)-2-methylpropanoic acid
SMILES: O=C(O)[C@@](NC(=O)CCCCCCCCCCCCCCC)(CC1=CC=C(OC)C=C1)C
Compound: Huaspenone B
SMILES: O=C1C(=C(OC)OC1(/C=C/CCC(O)C)C)C(=O)C
Compound: Qinlactone A
SMILES: O=C1O[C@](C=CC=CC=C(C(=O)C)C)(C)[C@@H](C1(C)C)O
Compound: 6′′-hydroxy-(R)-mitorubrinic acid
SMILES: O=C1C=2C(C=C(C=CC(=O)O)OC2)=CC([C@]1(OC(=O)C3=C(O)C=C(O)C(=C3C)O)C)=O
Compound: Setosphapyrone B
SMILES: O=C1OC(=C(CC[C@@H](O)C)C(=C1)OC)C
Compound: (+)-formylanserinone B
SMILES: O=C1C(OC)=CC(=O)C(=C1C[C@@H](OC=O)C)C
Compound: Aminoansamycin A
SMILES: O=C1NC2=C3O[C@@H](C[C@H](C3=CC(=C2)O)OC(=O)C)C=CC[C@H]([C@H]1C)O
Compound: Qinlactone B
SMILES: O=C1O[C@@](C=CC=CC=C(C(=O)C)C)(C)[C@@H](C1(C)C)O
Compound: Tripartin
SMILES: ClC(Cl)[C@@]1(O)C2=C(O)C=C(O)C=C2C(C1)=O
Compound: Applanatine D
SMILES: O=C1OCCC2=C1C=C3[C@@H]4OC(OC[C@]4(C)CC3=C2C)(C)C
Compound: Simplicildone A
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3COC)O)C
Compound: Polylisin D
SMILES: O=C1C=C2C=CC(=O)[C@@]([C@]2(C)C[C@]1(O)C(=C)COC(=O)C)(O)C
Compound: Aminoansamycin B
SMILES: O=C1NC2=C(O)C(=CC(=C2)O)[C@H](O)CC=CC=C[C@H]([C@H]1C)O
Compound: Pseudodesmin B
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCC)CC(C)C)CCC(=O)N)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1C(C)C)=O)CO)=O)CC(C)C)=O)CO)CC(C)C)C(C)C)C
Compound: 15R-17,18-dehydroxantholipin
SMILES: ClC1=C(OC)C=2OC3=C4OCO[C@H]5C4=C(C=6C(=O)C=7C(=O)NC(C)=CC7C(C6C5)=O)C(=C3C(C2C=C1)=O)O
Compound: Phaeochromycin D
SMILES: O=C1C2=C(OC(=C1)CCC)C=CC=C2CC(=O)C[C@@H](O)C
Compound: Exserolide K
SMILES: O=C1O[C@H]2[C@@H](O[C@@H](C2)CCC)C=3C1=C(O)C(OC)=C(O)C3
Compound: Orsellide D
SMILES: O=C1C(OC(=O)C2=C(O)C=C(O)C=C2C)=COC(C1O)C
Compound: Aminoansamycin C
SMILES: O=C1NC2=C(O)C(=CC(=C2)O)[C@H](OC)CC=CC=C[C@H]([C@H]1C)O
Compound: 2'-O-L-quinovosyl saphenate
SMILES: O=C(O[C@@H]1[C@H](O[C@@H](C)[C@@H]([C@H]1O)O)O)C=2C3=NC=4C(=C(C=CC4)C(O)C)N=C3C=CC2
Compound: Qinlactone C
SMILES: O=C1O[C@](C(O)C(O)C=CC=C(C(=O)C)C)(C)[C@@H](C1(C)C)O
Compound: Periconianone A
SMILES: O=C1C=C2C=CC(=O)[C@@]3([C@@]2(C)C[C@@]1(O)[C@@H]([C@H]3O)C)C
Compound: Delitpyrone E
SMILES: O=C1OC(=C(C[C@@H](O)CC)C(=C1)OC)C
Compound: Officimalonic acid C
SMILES: O=C1C2=C([C@]3(CC[C@H](C([C@@H]3C1)(C)C)OC(=O)CC(=O)O)C)C[C@@H](O)[C@@]45[C@]2(CC[C@@H]4[C@@H](C[C@]6(OC5)OC(=O)[C@H]([C@@H]6C)C)C)C
Compound: Aminoansamycin D
SMILES: O=C1NC2=C(O)C(=CC(=C2)O)[C@@H](NC3=C(C(=O)O)C=CC=C3)CC=CC=C[C@H]([C@H]1C)O
Compound: Anabaenopeptin NZ841
SMILES: O=C1N(CC(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)[C@@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)CCC4=CC=CC=C4)C
Compound: Preaustinoid D
SMILES: O=C1[C@]2(C(=C)[C@@](C[C@H]3[C@]2(CC[C@H]([C@@]3(CCC(=O)OC)C)C(O)(C)C)C)(C)C([C@]1(O)C)=O)C(=O)OC
Compound: Penilactonol A
SMILES: O=C1OC(=CC)C=C1[C@H](O)[C@H](O)C
Compound: Setosphapyrone D
SMILES: O=C1OC(=C(CCCC(=O)OC)C(=C1)OC)C
Compound: Gavibamycin A3
SMILES: ClC1=C(O)C(Cl)=C(C)C(=C1O)C(=O)OC2C(O)CC(OC3C(O)CC4(OC5(CC(OC6C(OC)C(OC(C6O)OC7C(O)C(OC)C(OC8OCC9OC%10(OC9C8OC(=O)C(C)C)OC(C(O)(C(O)C)C%11C%10OCO%11)C)OC7COC)C)OC(C5O4)C)C)OC3C)OC2C
Compound: Aminoansamycin E
SMILES: O=C1NC2=C(O)C(=CC(=C2)O)[C@@H](NC3=CC(O)=CC(=C3)C(=O)O)CC=CC=C[C@H]([C@H]1C)O
Compound: Marformycin B
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC=O)[C@@H](CC)C)C(=O)N[C@@H](C(=O)N[C@H]([C@H](CC)C)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)CC(C)C)=O)CCCN2)=O)CC3=CC=C(OC)C=C3)C
Compound: (2'R)-stachyline B
SMILES: O=C(O)CC1=CC=C(OC[C@H](O)C(=C)C)C=C1
Compound: Lichenysin G14
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]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(C)C
Compound: 5-hydroxy-3-methoxy-5-methyl-4-butylfuran-2(5H)-one
SMILES: O=C1O[C@@](O)(C)C(=C1OC)CCCC
Compound: Karnamicin D1
SMILES: S1C(=NC(=C1)C2=NC(=C(O)C(=C2OC)OC)C(=O)N)CCCCC(O)(C)C
Compound: Aminoansamycin F
SMILES: O=C1NC=2C(=O)C(=CC(C2)=O)[C@@H](NC3=C(C(=O)O)C=CC=C3)CC=CC=C[C@H]([C@H]1C)O
Compound: 2-Chloro-3-(4-hydroxy-3,5-dinitrophenyl)-propionic acid methyl ester
SMILES: Cl[C@H](C(=O)OC)CC1=CC([N+](=O)[O-])=C(O)C(=C1)[N+](=O)[O-]
Compound: PsiAalpha
SMILES: O=C1O[C@@H](CCC1)CC[C@@H](O)/C=C\C/C=C\CCCCC
Compound: (2'R)-westerdijkin A
SMILES: O=C(OC)CC1=CC=C(OC[C@H](O)C(=C)C)C=C1
Compound: Botryorhodine J
SMILES: O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC(=C3COCCCC)O)C
Compound: Nocardimicin E
SMILES: O=C1NCCCCC1NC(=O)C(C(OC(=O)C(NC(=O)C=2N=C(C3=C(O)C=CC=C3)OC2)CCCCN(O)C(=O)C)CCCCCCCCCCCCC)C
Compound: Fusariumin
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O)C2)CCCC/C=C/C[C@@H](O)C
Compound: Aminoansamycin G
SMILES: O=C1NC=2C(=O)C(=CC(C2)=O)[C@@H](NC3=CC(O)=CC(=C3)C(=O)O)CC=CC=C[C@H]([C@H]1C)O
Compound: 9-O-methylneuchromenin
SMILES: O=C1C2=C(O[C@H](C1)C)C3=C(C=C(O)C(=C3)OC)OC2
Compound: 4,7-dimethoxy-5-methyl-l,3-benzodioxole
SMILES: O1C2=C(OC)C(=CC(=C2OC1)OC)C
Compound: Setosphalide A
SMILES: O=C1O[C@]2(O[C@@H](CCC)C[C@@H]2O)C=3C1=C(O)C(OC)=C(OC)C3
Compound: Cordycol
SMILES: O1[C@@]([C@@H]2C(=C)CC[C@H](C2)O)(C)[C@H]1CC=C(C)C
Compound: Chrysosporazine A
SMILES: O=C1N2C=CN(C(=O)C)C[C@@H]2[C@@H](C3=CC(OC)=C4OCOC4=C3)C5=C1C=CC=C5
Compound: Cyathin V
SMILES: O[C@@H]1C(=CC[C@H]2[C@]([C@H]1O)(CC[C@@]3(C2=C([C@H](O)[C@H]3O)C(C)C)C)C)CO
Compound: Fredericamycin C2
SMILES: O=C1C2=C(O)C=3C4=C(O)C(=C(CC(=O)C)C=C4CCC3C(=C2C(=O)C=5C1=C(O)C(OC)=CC5O)O)C(=O)O
Compound: Setosphalide B
SMILES: O=C1O[C@@]2(O[C@@H](CCC)C[C@@H]2O)C=3C1=C(O)C(OC)=C(OC)C3
Compound: Roritoxin C
SMILES: O=C1O[C@H]2[C@@]3([C@@]4([C@@H]([C@@H]5O[C@]5(C)CC4)O[C@H](C2)C36OC6)COC(=O)C7[C@@]8([C@@H]9[C@](C=CC=C1)(OCC8)C(O)C(=O)O9)O7)C
Compound: (-)-applanatumol Z2
SMILES: O=C1C2=C(OC3=C1CC[C@@H]3C(=O)OC)C=CC(=C2)O
Compound: Chrysosporazine B
SMILES: O=C1N2[C@@H]([C@@H](C3=CC(OC)=C4OCOC4=C3)C5=C1C=CC=C5)CN(C(=O)C)[C@H](C2)C(=O)C6=CC=CC=C6
Compound: Pyrenosetin D
SMILES: O=C1N([C@H](CO)[C@@]2([C@]13C(=O)[C@@]4([C@@H]5[C@H](C[C@@H](C)CC5)C=C([C@@H]4[C@H]3[C@H](CC(=O)C)O2)C)C)O)C
Compound: Viticolin A
SMILES: O=C1C(OC)=C(O)C(O)=CC(=C1)C(=O)O
Compound: Hibarimicin D
SMILES: O=C1C(OC)=C(C(=O)C=2C1=C(O)C3=C(C(=O)C4(O)C5C3OC4(C(O[C@@H]6O[C@@H]([C@@H](O[C@H]7O[C@@H]([C@@](O)(C(=O)C)[C@H](C7)O)C)CC6)C)C(C5OC8O[C@H]([C@H](O)[C@@H](C8)O)C)O)CCC)C2O)C=9C(OC)=C(OC)C%10=CC=%11CC%12C(O[C@@H]%13O[C@H]([C@H](O)[C@@H](C%13)O)C)C(O)C(C(C%12(C(C%11C(=C%10C9O)O)=O)O)(O)CCC)O[C@@H]%14O[C@@H]([C@@H](O[C@H]%15O[C@@H]([C@@](O)(C(=O)C)CC%15)C)CC%14)C
Compound: 5-O-desmethylcolletotrialide
SMILES: O=C1O[C@H](CCC(=O)CCC)C=2C1=C(O)C(OC)=C(O)C2
Compound: Chrysosporazine C
SMILES: O=C1N2[C@@H]([C@@H](C3=CC(OC)=C4OCOC4=C3)C5=C1C=CC=C5)CN(C(=O)C)[C@H](C2)CC6=CC=CC=C6
Compound: Litoralimycin A
SMILES: S1C/2=NC(=C1)C(=O)NC(C(=O)NC(C=3OC(C)=C(N3)C4=NC(C(=O)NC(C(=O)NC(C(=O)N)=C)=C)=CC=C4C=5SC=C(N5)C(=O)N[C@H](C(NCC6=NC(C(N[C@H](C7=NC(C(N\C2=C/C)=O)=CS7)C)=O)=CS6)=O)C(C)C)=C)=C
Compound: 4-hydroxy-6-me~hoxy-5-(l'-oxobutyl)benzo[b]dihydrofuran
SMILES: O=C(C1=C(O)C2=C(OCC2)C=C1OC)CCC
Compound: Deoxyapoaranotin
SMILES: S1S[C@]23N([C@@H]4[C@@H](OC(=O)C)C=COC=C4C2)C([C@]15N(C=6C=CC=CC6C5)C3=O)=O
Compound: Marinoaziridine B
SMILES: O=C1NC2=C(C=CC=C2)C(=C1)[C@H]3NC3(C)C
Compound: Chrysosporazine D
SMILES: O=C(N1[C@H](CN(C(=O)C)[C@H](C1)CC2=CC=CC=C2)CC3=CC(OC)=C4OCOC4=C3)C5=CC=CC=C5
Compound: (S)-colletotrialide
SMILES: O=C1O[C@@H](CCC(=O)CCC)C=2C1=C(O)C(OC)=C(OC)C2
Compound: (-)E-1-Chlorotridec-1-ene-6,8-diol
SMILES: Cl/C=C/CCC[C@@H](O)C[C@H](O)CCCCC
Compound: Litoralimycin B
SMILES: S1C/2=NC(=C1)C(=O)NC(C(=O)NC(C=3OC(C)=C(N3)C4=NC(C(=O)NC(C(=O)N)=C)=CC=C4C=5SC=C(N5)C(=O)N[C@H](C(NCC6=NC(C(N[C@H](C7=NC(C(N\C2=C/C)=O)=CS7)C)=O)=CS6)=O)C(C)C)=C)=C
Compound: (3S,5R,6E,8E)-Deca-6,8-dien-1,3,5-triol
SMILES: O[C@@H](/C=C/C=C/C)C[C@@H](O)CCO
Compound: Chrysosporazine E
SMILES: O=C(N1[C@H](CN(C(=O)C)[C@H](C1)CC2=CC=CC=C2)CC3=CC(O)=C4OCOC4=C3)C5=CC=CC=C5
Compound: Pyrrolomycin C
SMILES: ClC1=C(O)C(C(=O)C=2NC(Cl)=C(C2)Cl)=CC(=C1)Cl
Compound: Exserolide I
SMILES: O=C1O[C@H]2[C@H](O[C@H](C2)CCCO)C=3C1=C(O)C(OC)=C(OC)C3
Compound: SMTP-42
SMILES: S(=O)(=O)(O)C1=CC=C(N2C(=O)C=3C=C(O)C4=C(C3C2)O[C@]([C@@H](O)C4)(CCC=C(CCC=C(C)C)C)C)C=C1
Compound: Aspergilsmin C
SMILES: O=C1OC2=CCO[C@@H](C2=C1)OC
Compound: Officimalonic acid E
SMILES: O=C(O)[C@H]([C@H](C(=O)C[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)CC(=O)OC)CC4)(C)C)CC3)C)C[C@H]2O)(C)CC1)C)C)C)C
Compound: Nesteretal A
SMILES: O1[C@@]2(O)[C@@]3(O[C@@]4([C@H]2[C@@]([C@]1(O3)C)(O)C[C@]4(O)C)C)C
Compound: Exserolide J
SMILES: O=C1O[C@H]2[C@H](O[C@H](C2)CCC(=O)O)C=3C1=C(O)C(OC)=C(OC)C3
Compound: Deconin B
SMILES: O=C1C[C@@](C2=CC=C(C(=O)OCC[C@@](O)(CC(=O)O)C)C=C2)(C)C(C1)(C)C
Compound: Solistatin
SMILES: O=C1O[C@@H](C[C@H](C1)O)CCC=2C=3C(C=CC2C)=CC=CC3
Compound: Aspergilsmin A
SMILES: O=C1C(=CO[C@H]1CC(=O)OC)COC
Compound: IB-01212
SMILES: O=C1OC[C@H](NC(=O)[C@@H](N(C)C)CC(C)C)C(=O)N([C@H](C(=O)N([C@H](C(=O)OC[C@@H](C(N([C@H](C(N([C@H]1CC2=CC=CC=C2)C)=O)CC(C)C)C)=O)NC(=O)[C@@H](N(C)C)CC(C)C)CC3=CC=CC=C3)C)CC(C)C)C
Compound: Alterbrabetainoid A
SMILES: O=C1C(=C2C[C@H](O)[C@H](C)[C@H]3C(=C[C@]1(O)[C@@H]2C[C@@H]4C(=O)C(C(C)C)=C5[C@]4(C=C6[C@](O)(CC[C@H]6[C@H]([C@H](C5)O)C)COC)C)[C@](O)(CC3)COC)C(C)C
Compound: Guignardone S
SMILES: O=C1C2=C(O[C@@]3(CCC([C@@H]3C2)=C(C)C)C)[C@@H](O)C[C@@H]1OC
Compound: Terreulactone A
SMILES: O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@]5(C(=O)[C@@]6(OC)C(=O)O[C@@]5(C6(C)C)CC[C@]4(O3)C)C
Compound: 16-O-deacetylhelvolic acid 21,16-lactone
SMILES: O=C1C=C[C@@]2([C@H]3[C@]([C@@]4([C@H](C5=C(C(=O)O[C@H]5C4)CCC=C(C)C)CC3)C)(C)C([C@H]([C@H]2[C@@H]1C)OC(=O)C)=O)C
Compound: Aspergilsmin B
SMILES: O=C1C(=COC[C@@H]1OC)CC(=O)OC
Compound: Asperchalasine B
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H](C([C@H]4[C@H]1[C@@H]5O[C@H]4C=6C5=C(O)C(OC)=C(O)C6C)=O)O)C)C)CC(C)C
Compound: 6-O-propionyl-6,16-O-dideacetylhelvolic acid 21,16-lactone
SMILES: O=C1C=C[C@@]2([C@H]3[C@]([C@@]4([C@H](C5=C(C(=O)O[C@H]5C4)CCC=C(C)C)CC3)C)(C)C([C@H]([C@H]2[C@@H]1C)OC(=O)CC)=O)C
Compound: Alterbrabetainoid B
SMILES: O=C1C(=C2C[C@H](O)[C@H](C)[C@H]3C(=C[C@]1(O)[C@@H]2C[C@H]4C(=O)C(C(C)C)=C5[C@]4(C=C6[C@](O)(CC[C@H]6[C@H]([C@H](C5)O)C)COC)C)[C@](O)(CC3)COC)C(C)C
Compound: Aspergilsmin D
SMILES: O=C1OC2=CCO[C@@H](C2=C1)OCC
Compound: Maremycin E
SMILES: S(CC1=NC2=C([C@H](C3(C(=O)N(C)C4=C3C=CC=C4)C5(C2=C(C(=O)O)CC5)O)C)NC1=O)C
Compound: beta-ergokryptam
SMILES: O=C1N2[C@@H](C(=O)N([C@H]1[C@H](CC)C)C(=O)[C@H](NC(=O)[C@@H]3C=C4C5=C6C(NC=C6CC4N(C3)C)=CC=C5)C(C)C)CCC2
Compound: (3R,5R)-cis-5-methyl-3-(2-oxobutyl)-dihydrofuran-2-one
SMILES: O=C1O[C@H](C)C[C@@H]1CC(=O)CC
Compound: Alterbrabetainoid C
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[C@H]4C(=O)C(C(C)C)=C5[C@]4(C=C6[C@](O)(CC[C@H]6[C@H]([C@H](C5)O)C)COC)C
Compound: 1,2-dihydro-6,16-O-dideacetylhelvolic acid 21,16-lactone
SMILES: O=C1[C@@]2([C@@]3([C@H](C4=C(C(=O)O[C@H]4C3)CCC=C(C)C)CC[C@H]2[C@]5(CCC([C@H]([C@@H]5[C@@H]1O)C)=O)C)C)C
Compound: Malabetaezione
SMILES: O=C(CC=1C2=C(C=CC=C2)NC1)CC=3C4=C(C=CC=C4)NC3
Compound: Aspergilsmin E
SMILES: O=C1O/C(=C/CO)/C(=C1)[C@H](OCC)OC
Compound: Brefeldin A formylate
SMILES: O=C1O[C@H](CCCC=C[C@H]2[C@H]([C@@H](C=C1)O)C[C@@H](OC=O)C2)C
Compound: Jadomycin Oct
SMILES: O=C1OC2N(C=3C(=O)C4=C(O[C@@H]5OC([C@H](O)[C@@H](C5)O)C)C=CC=C4C(C3C6=C2C=C(C)C=C6O)=O)CCC[C@@H]1N
Compound: Alterbrabetainoid D
SMILES: O=C1OC(=O)[C@@]2(C=C3[C@](O)(CC[C@H]3[C@H]([C@H](CC2=C1C(C)C)O)C)COC)C[C@H]4C(=O)C(C(C)C)=C5[C@]4(C=C6[C@](O)(CC[C@H]6[C@H]([C@H](C5)O)C)COC)C
Compound: Chlorxanthomycin
SMILES: ClC=1C(O)=C2C3=C(C(O)=C4C5=C3C1C(C(O)=C5C(=O)C=C4O)(C)C)C(=O)C=C2C
Compound: 1,2-dihydro-16-O-deacetylhelvolic acid 21,16-lactone
SMILES: O=C1[C@@]2([C@@]3([C@H](C4=C(C(=O)O[C@H]4C3)CCC=C(C)C)CC[C@H]2[C@]5(CCC([C@H]([C@@H]5[C@@H]1OC(=O)C)C)=O)C)C)C
Compound: Aspergilsmin F
SMILES: O=C1O[C@@]2(OC)CCO[C@H](C2=C1)OC
Compound: Haplofungin A
SMILES: O=C(OC(C(O)C(O)C(=O)O)CO)C(C(=O)/C(=C/C(CC(CCCCC(O)CCCCCCCCCCC)C)C)/C)C
Compound: Cardinalin-2
SMILES: O=C1C2=C(O)C(C3=C(O)C=4C(=O)[C@H]5[C@@H](C[C@H](C)O[C@@H]5C)[C@H](C4C=C3OC)O)=C(OC)C=C2C(=O)C6=C1[C@H](O[C@H](C6)C)C
Compound: Leptazoline A
SMILES: ClC1=CC(=C(O)C=C1)C=2O[C@H](C)[C@H](N2)[C@@H](O)CC(=O)O
Compound: 4-(1-ethoxyethyl)-5-methyl-2-[(2E,6E)-3,7,11-trime thyldodec-2,6,10-trienyl]benzene-1,3-diol4-(1-ethoxyethyl)-5-methyl-2-[(2E,6E)-3,7,11-trime thyldodec-2,6,10-trienyl]benzene-1,3-diol
SMILES: O([C@H](C1=C(O)C(=C(O)C=C1C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C)CC
Compound: Aspergilsmin G
SMILES: O=C1O[C@@]2(OC)CCO[C@@H](C2=C1)OC
Compound: Boletinin F
SMILES: O=C(OC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CO)\C)\C)\C)\C)/C=C/C(=O)O
Compound: 2-methyl-5-nitrobenzyl alcohol
SMILES: O=[N+]([O-])C1=CC(=C(C)C=C1)CO
Compound: 16-O-propionyl-16-O-deacetylhelvolic acid
SMILES: O=C1[C@@]2([C@@]3([C@H](/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C3)OC(=O)CC)CC[C@H]2[C@]4(CCC([C@H]([C@@H]4[C@@H]1OC(=O)C)C)=O)C)C)C
Compound: Leptazoline B
SMILES: ClC1=CC(=C(O)C=C1)C=2O[C@H](C)[C@H](N2)[C@@H](O)[C@@H](O)C(=O)NC(CO)CO
Compound: Halosmysin A
SMILES: S(C12NC(=O)C(CC3=CC=C(OCC=C(C)C)C=C3)(NC1=O)[C@@H]4[C@H]2C(=O)[C@H](O)C[C@H](OC(=O)C=CC[C@H](OC4=O)C)C)C
Compound: Macrolactin W
SMILES: O=C1OC(CCCC=CC=CC(O)CC(O)CC=CC=CC(CC=CC=C1)OC(=O)CCC(=O)OC2OC(C(O)C(C2O)O)CO)C
Compound: JBIR-37
SMILES: O1[C@@H](OC2=C(C=CC(=C2)O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C(C=C)(C)C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: 6-O-propionyl-6-O-deacetylhelvolic acid
SMILES: O=C1[C@@]2([C@@]3([C@H](/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C3)OC(=O)C)CC[C@H]2[C@]4(CCC([C@H]([C@@H]4[C@@H]1OC(=O)CC)C)=O)C)C)C
Compound: Thuggacin A
SMILES: S1C2=NC(=C1)C=C(C(=O)O[C@@H]([C@H](O)[C@@H](O)C(C(O)/C(=C/C(=C/C)/C)/C)C)CC=CC=C[C@@H](C[C@H]([C@@H]2C)O)O)CCCCCC
Compound: Leptazoline C
SMILES: O=C(O)C[C@@H](O)[C@@H]1N=C(C2=C(O)C=CC=C2)O[C@H]1C