MonarchInit/C3PO huggingface dataset:
Compound: Apratoxin H
SMILES: S1C2=N[C@H](C1)C=C(C(=O)N[C@H](C(=O)N([C@H](C(=O)N(C)[C@H](C(N3[C@H](C(O[C@@H](C[C@H](C[C@@H]([C@@H]2C)O)C)C(C)(C)C)=O)CCCC3)=O)[C@H](CC)C)C)C)CC4=CC=C(OC)C=C4)C
Compound: YM-170320
SMILES: O=C(NCC(C(=O)NC(C(=O)OC)CC(O)C(=O)N)C)C(NC(=O)C(C(O)CCC(C(=O)/C=C/C(=C/CCC(CCCCCC)C)/C)C)C)=C
Compound: Gliocladine B
SMILES: S1SS[C@@]23N([C@H]4NC=5C=CC=CC5[C@]4([C@@H]2O)C67C8=C(C=CC=C8)N[C@@H]6N9C(=O)[C@]%10(C)SS[C@@]9([C@H]7O)C(=O)N%10C)C([C@](S1)(N(C)C3=O)C)=O
Compound: Sistopyrone
SMILES: O=C1OC=CC(=C1)CC=C=C
Compound: T988 C
SMILES: S1S[C@@]23N([C@H]4NC=5C=CC=CC5[C@]4([C@@H]2O)C=6C7=C(C=CC=C7)NC6)C([C@]1(N(C)C3=O)CO)=O
Compound: MR-304A
SMILES: OC1(C(O)C([N+]#[C-])=CC1O)C(O)C
Compound: Halovir A
SMILES: O=C(N1[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)CCC(=O)N)C(C)C)CC(C)C)C[C@H](C1)O)C(NC(=O)CCCCCCCCCCCCC)(C)C
Compound: LL-Z 1271alpha
SMILES: O=C1O[C@H](OC)C2=C[C@H]3OC([C@@]4([C@H]3[C@@](C2=C1)(CCC4)C)C)=O
Compound: Oxalicumone E
SMILES: S1C=2OC3=C(C(O)=CC(=C3)C)C(C2C[C@H]1C(O)(C(=O)OC)CC(=O)OC)=O
Compound: Laxaphycin B2
SMILES: O=C1N(C(C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(NC(C(N[C@@H](C(NC1CCC(=O)N)=O)CC(C)C)=O)C)=O)[C@@H](O)C(C)C)=O)C(C)C)=O)CCCCCCC)C(O)C)CC(C)C)CCC2)[C@H](O)C)[C@@H](O)C(=O)N)[C@H](CC)C)C
Compound: Diemenensin A
SMILES: O=C1OC(=C(C)C(=C1C)O)/C(=C/C(=C/[C@H](C[C@H](CCC)C)C)/C)/C
Compound: Pestalotiopsol B
SMILES: O[C@H](\C(=C/C=C/C)\CO)[C@@H](O)/C=C\C
Compound: Butyrolactone VII
SMILES: O=C1O[C@](C(=O)OCC)(CC2=CC(=C(O)C=C2)CC=C(C)C)C(=C1O)C3=CC=C(O)C=C3
Compound: Aculeatusquinone C
SMILES: O=C1C(=C(O)[C@H](O)[C@]([C@@H]1OC2=C(C(O)=CC(=C2)C)C)(OC)C)C
Compound: 7-deoxypactamycin
SMILES: O=C(N(C)C)N[C@@]1([C@@](O)([C@@](O)(COC(=O)C2=C(O)C=CC=C2C)[C@H]([C@@H]1N)NC3=CC(C(=O)C)=CC=C3)C)CC
Compound: Somamide B
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)CCC)CCC(=O)N)C)=O)C(C)C)CC3=CC=C(O)C=C3)C)CC4=CC=CC=C4)[C@H](O)CC2
Compound: PAX9
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)CCCCC/C=C\CCCCCC)CCCN=C(N)N)=O)CCCCN)CCCCN)CCCCN)CCCCN
Compound: Hordeumflavin B
SMILES: O=C1C2(OC(=O)C(C2CC3C1COC(C3)CCC(C)C)C(=O)CCCCCCCCCCC)C
Compound: Ochroleucin B
SMILES: O=C1C=C(C#CC(=C)C)[C@@]2([C@H]1C3=C(OC)C(C#CC(=C)C)=CC(=C3CO2)OC)O
Compound: Xylaric acid A
SMILES: O=C(O)C1=C[C@H]2[C@H]([C@](O)(CC[C@@H]2C(C)C)CO)OC1
Compound: Enniatin J3
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1[C@H](CC)C)C)=O)C(C)C)=O)C)C)C(C)C)C(C)C)C)C(C)C
Compound: Pelagiomicin B
SMILES: O=C(O)C=1C2=NC=3C(=C(C=CC3OC)COC(=O)[C@@H](N)C(C)C)N=C2C=CC1
Compound: Sclerodin
SMILES: O=C1OC(=O)C=2C(O)=CC(=C3C2C1=C(O)C=4C([C@H](C)OC34)(C)C)C
Compound: Cancrolide B
SMILES: O=C1OCC(=C1C[C@@H](O)C)CC=CC
Compound: (6R)-5,10-methylenetetrahydrofolic acid
SMILES: [H][C@]12CNc3nc(N)[nH]c(=O)c3N1CN(C2)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: CB-182443
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCCCCC(CC)C)CC=2C3=C(C=CC=C3)NC2)CCC(=O)O)C(O)C(=O)N)C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CCCCN)C(N[C@H](C(NCC(N[C@@H](C(NC(C(N[C@H]1C(CC)C)=O)C(CC(=O)O)C)=O)CC(=O)N)=O)=O)CC(=O)O)=O)CC(=O)O)C)C)C
Compound: 10-epi-colletodiol
SMILES: O=C1O[C@@H](CC=CC(=O)O[C@@H](C[C@H]([C@H](C=C1)O)O)C)C
Compound: Fomefficinic acid D
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)C[C@@H]4O)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Rezishanone A
SMILES: O=C1\C(=C(\O)/C=C/C=C/C)\[C@H]2[C@@](O)(C)C([C@@]1([C@]3(CC(=O)O[C@@H]23)CO)C)=O
Compound: 5,5-dimethyl-1,2,3,4-tetrathiane
SMILES: S1SSCC(S1)(C)C
Compound: 8-Acetamido-1,1,15,15-tetrachloropentadeca-3-yne
SMILES: ClC(Cl)CC#CCCC[C@@H](NC(=O)C)CCCCCCC(Cl)Cl
Compound: CYCLOPROPYLALANINE
SMILES: O=C(O)[C@@H](N)CC1CC1
Compound: 8-C-methyl-6-hydroxykaempferol 3,6,7-trimethyl ether
SMILES: O=C1C(OC)=C(OC2=C1C(O)=C(OC)C(=C2C)OC)C3=CC=C(O)C=C3
Compound: 8(S)-amino-2(R)-methyl-7-oxononanoic acid
SMILES: O=C(O)[C@@H](CCCCC(=O)[C@@H](N)C)C
Compound: Radianspene K
SMILES: O=C1NC2=C3C(=O)C(O)=C([C@]3(CC[C@]4(C2=C1[C@@H](O)CC4)C)C)C(C)C
Compound: 3,4-dihydroxyphenylpyruvic acid
SMILES: OC(=O)C(=O)Cc1ccc(O)c(O)c1
Compound: Dalienxanthone C
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC=C3O)C(OC)=C(C(C(O)CO)CO)C=C2OC
Compound: Ganoderchochlearin A
SMILES: O1C([C@@H](O)C[C@@H]1[C@H]([C@@H]2[C@@]3([C@@](C=4C([C@@]5(C(C([C@@H](O)CC5)(C)C)CC4)C)=CC3)(C)CC2)C)C)(C)C
Compound: Hyafurone A1
SMILES: O=C1C(=C(CC(O)CC(O)/C=C\C=C\C(=C\C=C\C(C(O)C(CCC2=CC=CC=C2)C)C)\C)OC1(O)C)C
Compound: Sch 725434
SMILES: O=C1[C@]2(OC[C@@H]1[C@H]3[C@@H](C(C)(C)C3)CCC(C2)=C)O
Compound: Calocerin B
SMILES: Cl/C=C(/C=1OC=2C=CC(=CC2C1)C(=O)N)\C
Compound: Ambewelamide B
SMILES: S1S[C@]23N([C@@H]4[C@H]5O[C@H]5[C@H](C=C4C2)OC(=O)C)C([C@]16N([C@@H]7[C@H]8O[C@H]8[C@H](C=C7C6)OC(=O)CCCCC)C3=O)=O
Compound: Marthiapeptide A
SMILES: S1C2=NC(=C1)C=3SC[C@H](N3)C(=O)N[C@@H](C(=O)N[C@H](C(N[C@@H](C4=NC(C5=NC2=CS5)=CS4)C)=O)[C@H](CC)C)CC6=CC=CC=C6
Compound: Isopestacin
SMILES: O=C1O[C@H](C2=C(O)C=CC=C2O)C=3C1=C(O)C=C(C)C3
Compound: SNF4435D
SMILES: O=[N+]([O-])C1=CC=C([C@H]2[C@]3([C@H]4C(=CC(=C[C@@]24C)C)C)CO[C@@H](C3)C=5OC(OC)=C(C)C(C5C)=O)C=C1
Compound: UK-78629
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)C[C@H]3O)O[C@@H](C2)CC=C([C@H](OC(=O)C(C)C)[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)[C@H]5OC4)C)O)C)C
Compound: 4-Hydroxy-3-methyl-2-oxabicyclo[3.3.1]non-6-one
SMILES: O=C1[C@@H]2[C@H](O)[C@H](O[C@@H](C2)CC1)C
Compound: RK-1355B
SMILES: S1(=O)C(SCC)C2N(C(=O)C(NC(=O)C(NC(=O)C3=NC=4C(=CC=CC4)C=C3O)COC(C5(N(C(C(C1)N(C(=O)C(NC(=O)C(NC(=O)C6=NC=7C(=CC=CC7)C=C6O)COC(C8(N(C2=O)C)C(C)C8)=O)C)C)=O)C)C(C)C5)=O)C)C
Compound: Coprisidin B
SMILES: O=C1C(=O)C(=C(O)C2=C1C=C([C@]3(O)C(=O)NC=4C3=C(O)C=CC4)C(=C2OC)O)CCC
Compound: Versixanthone F
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](O)[C@H](CC(=O)OC)C
Compound: (-)-indolactam I
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1[C@H](CC)C)C)C=CC3)CO
Compound: 10-bromo-7-hydroxy-11-iodolaurene
SMILES: IC1=C(Br)C(=CC(=C1[C@]2([C@H](C(=C)CC2)C)C)O)C
Compound: (+)-(R)-grifolinone C
SMILES: O=C1C(=O)C(=C(C2=C(O)C(=C(O)C=C2C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C(=C1C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C
Compound: Ergosta-7,22-dien-2beta,3alpha,9alpha-triol
SMILES: O[C@]12C(=CCC3[C@@]1(C[C@H](O)[C@H](C3)O)C)[C@H]4[C@]([C@@H]([C@@H](C=C[C@@H](C(C)C)C)C)CC4)(C)CC2
Compound: Aeruginosin 102 B
SMILES: S(=O)(=O)(OC1=CC=C(C[C@@H](O)C(=O)N[C@@H](C(=O)N2C3C(CCC(C3)O)CC2C(=O)N[C@H]4C(O)N(C(=N)N)CCC4)CC5=CC=C(O)C=C5)C=C1)O
Compound: Bisacremine G
SMILES: O1C2=C3C(=C(O)C=C2C)C[C@@H]4C(C)(C)OC([C@H]4[C@@H]3C=5[C@@H]1C[C@](O)(C)[C@H](C5)O)(C)C
Compound: Citreoanthrasteroide B
SMILES: O[C@@H]1CC2=C(C=C3[C@H]4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC4)(C)C=CC3=C2C)CC1
Compound: 3,4,3',4'-Bisdehydroxanthomegnin
SMILES: O=C1OC(=CC=2C1=C(O)C=3C(=O)C(=C(OC)C(C3C2)=O)C4=C(OC)C(=O)C=5C=C6C=C(C)OC(C6=C(C5C4=O)O)=O)C
Compound: Limazepine F
SMILES: O=C1N2[C@H]([C@@H](O)NC3=C1C=CC=C3)C\C(\C2)=C/C
Compound: 35-O-beta-3,5-anhydrogalacturonopyranosylbacteriohopanetetrol 2beta-methyl
SMILES: O=C1OC2C(O)C(OC1C2O)OCC(O)C(O)C(O)CC[C@@H](C3C4[C@](C5[C@@]([C@]6(C([C@@]7(C(C(C[C@H](C7)C)(C)C)CC6)C)CC5)C)(C)CC4)(C)CC3)C
Compound: Alpha-Panasinsen
SMILES: C1(=CCC[C@]2([C@]13[C@H](C(C)(C)C3)CC2)C)C
Compound: Monascuspurpurone
SMILES: O=C1C(=C(C[C@H]2[C@]1(OC(=O)[C@@H]2C(=O)CCCCC)C)CC(=O)CCC)C
Compound: Orfamide A
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(O)CCCCCCCCCCC)CC(C)C)CCC(=O)O)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(N[C@H]1C(C)C)=O)CO)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)C(CC)C)C
Compound: Epoxydine A
SMILES: O=C1C=C[C@H](O[C@H]2C=CC(=O)[C@H](C2)C)C[C@@H]1C
Compound: Aspergillamide A
SMILES: O=C(N([C@H](C(=O)N/C=C\C=1C2=C(C=CC=C2)NC1)CC3=CC=CC=C3)C)[C@@H](NC(=O)C)CC(C)C
Compound: Varioxepine A
SMILES: O=C1NC(=C2N=C3OC=CC=C[C@@]43[C@@]5(N2[C@H]1CC6=CC=CC=C6)OC(C)(C)[C@H](O5)CO4)C(C)C
Compound: 3beta-hydroxy-12beta-acetoxyganodernoid D
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)CC([C@]4([C@@H]1OC(=O)C)C)=C(CC(=O)CC(C(=O)O)C)C)C
Compound: (4R,8E)-14,16-dihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),8,13,15-tetraene-2,10-dione
SMILES: O=C1O[C@@H](CCCC=CC(CC=2C1=C(O)C=C(O)C2)=O)C
Compound: (Z)-N-(4-decenoyl)-L-homoserine lactone
SMILES: O=C1OCC[C@@H]1NC(=O)CC/C=C\CCCCC
Compound: Dendryphiellin A1
SMILES: O=C1C=C2C=C[C@H](OC(=O)/C=C/C=C/[C@H](CC(=O)O)C)[C@@H]([C@@]2(C)C[C@H]1O)C
Compound: Berkchaetoazaphilone A
SMILES: O=C1C=C2C(=COC(=C2)C[C@@H](O)C)[C@@H]3[C@]1(OC(=O)[C@H]3C(=O)CCCCCCCCC)C
Compound: Cochlioquinone D
SMILES: O=C1C=2O[C@]3([C@@H]([C@@]4([C@H](O[C@@H](C(O)(C)C)CC4)CC3)C)CC2C(=O)C=C1[C@@H](C(=O)/C(=C/C)/C)C)C
Compound: Juanlimycin B
SMILES: O=C1C=CC(=CC[C@H](O)C2=C3C(NC([C@@]3(NC4=CC(O)=CC(=C4)C(=O)O)C(=O)C=CC(=CC[C@@H](C5=C6[C@]1(NC7=C(C(=O)O)C=CC=C7)C(=O)NC6=CC(=C5)O)O)C)=O)=CC(=C2)O)C
Compound: Prototenellin E
SMILES: O=C1N[C@@H](CC2=CC=C(O)C=C2)C(C1=C(O)C(=CC=C[C@@H](CC)C)C)=O
Compound: {(E)-3-(Chloromethylene)-2,3-dihydrobenzo[b]oxepin-7-yl}methylPalmitate
SMILES: Cl/C=C/1\C=CC=2C(O)=C(COC(=O)CCCCCCCCCCCCCCC)C=CC2OC1
Compound: 7,7'-Dimethoxyperonatin B
SMILES: O=C1C2=C(C=CC(=C2N[C@]1([C@]3(NC=4C(OC)=CC=C(C4C3=O)C)C)C)OC)C
Compound: Pukeleimide A
SMILES: O=C1N(/C(=C/C(=O)N2C(=O)C=C(C2)OC)/C=C1CO)C
Compound: Cosmomycin D
SMILES: O=C1C2=C(O)C3=C([C@@H](O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)CC6)C)[C@H](C5)O)C)[C@H](C4)N(C)C)C)[C@@](O)(CC)C[C@@H]3O[C@@H]7O[C@H]([C@@H](O[C@@H]8O[C@H]([C@@H](O[C@@H]9O[C@H]([C@@H](O)CC9)C)[C@H](C8)O)C)[C@H](C7)N(C)C)C)C(=C2C(=O)C=%10C1=C(O)C=CC%10)O
Compound: Pamamycin-649B
SMILES: O=C1O[C@H]([C@@H]([C@H]2O[C@@H]([C@@H](C(=O)O[C@H]([C@@H]([C@H]3O[C@@H]([C@H]1CC)CC3)C)[C@@H]([C@@H]4O[C@H](C[C@H](N(C)C)CCC)CC4)CC)C)CC2)C)CCC
Compound: Hebelophyllene E
SMILES: O=C1O[C@H](C(O)(C=C)C)C[C@H]2[C@@H]([C@H]1C)CC2(C)C
Compound: 6-methyl-9-heptadecenoic acid
SMILES: O=C(O)CCCC[C@@H](CC/C=C/CCCCCCC)C
Compound: Boydone A
SMILES: O=C1C(OC)=C(/C(=C/NCCO)/C([C@@]1(CC)C)=O)[C@@H](CC)C
Compound: Craterellin A
SMILES: O1[C@]2([C@H](O)C=C([C@H]([C@@H]12)O)CO)C[C@H]3C(=CC[C@@H]4[C@@]3(CCCC4(C)C)C)C
Compound: Micacocidin
SMILES: S1C(=N[C@](C1)(C(=O)O)C)C([C@H](O)[C@H]2N([C@@H]([C@@H]3N=C(C4=C(O)C=CC=C4CCCCC)SC3)SC2)C)(C)C
Compound: N05WA963C
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C4C(=O)C[C@](CC4=C3O)(O)C)C5OC(C(OC6OC(C(OC7OC(C(=O)CC7)C)CC6)C)C(C5)O)C
Compound: Lynamicin F
SMILES: ClC1=CC2=C(NC=C2C3=C(N(C)C=C3C=4C5=C(C=CC(=C5)Cl)NC4)C(=O)OC)C=C1
Compound: 3,5-dibromo-4-hydroxybenzamide
SMILES: NC(=O)c1cc(Br)c(O)c(Br)c1
Compound: (1R,2R,4aS,4bR,6aS,10aS,12aS)-2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylphenyl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol
SMILES: O[C@]1([C@@H]([C@@]2([C@H]([C@]3(C([C@@]4([C@H](C(CCC4)(C)C)CC3)C)CC2)C)CC1)C)CCC(C5=CC=C(C)C=C5)C)C
Compound: SMTP-13
SMILES: S(CC[C@H](N1C(=O)C=2C=C(O)C3=C(C2C1)O[C@]([C@@H](O)C3)(CCC=C(CCC=C(C)C)C)C)C(=O)O)C
Compound: (+/-)-epocarbazolin B
SMILES: O1C(CCC(CC)C)(C)C1C2=C(C(O)=CC3=C2NC=4C(O)=CC=C(C34)CO)C
Compound: Citrinadin C
SMILES: O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14C([C@@]5(O)C[C@H]6C[C@H](OC(=O)[C@@H](NC)C(C)C)C[C@@H](N6C[C@@]5(C4)NC)C)(C)C
Compound: Acetoxydehydroaustin B
SMILES: O=C1OC([C@@]2(C(=C)[C@]34O[C@@]56C(=O)O[C@@]([C@H]3OC(=O)C)(C)C([C@@]6([C@@]4(C)[C@@H](C2)OC(=O)C)C(=O)O[C@@H]5C)=C)C=C1)(C)C
Compound: Chaetomugilide C
SMILES: ClC1=C2C(C3=C(C(=O)[C@@H]([C@H](O)C)C)C(O[C@@]3(C1=O)C)=O)=CN(CCO)C(=C2)C=C[C@H](CC)C
Compound: Lipoamicoumacin A
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@H]2OC(=O)C[C@@H]2NC(=O)[C@@H](NC(=O)CCCCCCCCC(C)C)CC(=O)N)CC(C)C)CC=3C1=C(O)C=CC3
Compound: Astraodoric acid B
SMILES: O=C1C(C2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](C(O)C/C=C(/C(=O)O)\C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: 1,6-phenazinedimethanol
SMILES: OCC=1C2=NC=3C(=C(C=CC3)CO)N=C2C=CC1
Compound: Aspergilline B
SMILES: O=C1N(C=2C=CC=C3C2[C@@]14O[C@]5(O)[C@@H](O)C(=O)N6[C@@]5([C@@H]4[C@H](C6(C)C)C3)O)CCCC(=O)OC
Compound: Trehalamine
SMILES: O1C(=N[C@@H]2[C@H]1[C@@H](O)[C@H](O)[C@]2(O)CO)N
Compound: Xylaric acid B
SMILES: O=C(O)/C(=C/[C@H]1[C@H](C(=O)O)[C@@](O)(CC[C@@H]1C(C)C)COC)/CO
Compound: BU-4601 C
SMILES: O=C(OCCCCCCCCCC(C)C)C1=C(N)C=CC(=C1)O
Compound: Aibellin
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CNCCO)CC2=CC=CC=C2)CCC(=O)O)CCC(=O)O)(C)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)C)(C)C)C)(C)C)C)CCC(=O)N)(C)C)CC3=CC=CC=C3)(C)C)(C)C)(C)C
Compound: Ukulactone B
SMILES: O=C1O[C@H]2[C@@H](C)C([C@@]1([C@@]2(/C=C(/C=C/C=C/C=C/C=C(/[C@H]3O[C@@H]([C@@](O)(C)C=C3C)C)\C)\C)C)C)=O
Compound: Micropeptin SF995
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=3C4=C(C=CC=C4)NC3)C)=O)[C@H](CC)C)C2=O)O)CCCN=C(N)N)C
Compound: (S)-5,7-dichloro-6-hydroxy-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid
SMILES: ClC1=C(O)C(Cl)=C2O[C@H](CC2=C1C(=O)O)C
Compound: Nodulisporin D
SMILES: O1C2=C(C(O)=CC=C2)C(C=3C=4C(=C(OC)C=CC4)C(O)=CC3)C[C@@H]1C
Compound: 21-hydroxyoligomycin A
SMILES: O=C1O[C@H]2[C@@H]([C@@]3(O[C@H]([C@H]2C)C[C@@H](O)[C@H](C=CC=CC[C@@H](C)[C@@H]([C@](C([C@H]([C@@H]([C@H](C([C@H]([C@@H]([C@H](C=C1)C)O)C)=O)C)O)C)=O)(O)C)O)CC)O[C@H]([C@@H](C)CC3)C[C@H](O)C)C
Compound: Mayamycin
SMILES: O=C1C=2C(O)=C(C3=CC(C)=CC(=C3C2C(=O)C=4C1=C(O)C=CC4)O)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)NC)C
Compound: Cystobactamid 507
SMILES: O=C(O)C1=CC(OC(C)C)=C(NC(=O)C2=C(O)C(OC(C)C)=C(NC(=O)C3=CC=C(N)C=C3)C=C2)C=C1
Compound: Microcyclamide GL546B
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C4=NC(C(N[C@H]2[C@H](CC)C)=O)=C(O4)C)C)CC(=O)O
Compound: Modiolin
SMILES: O=C(OCC)/C=C\C=C\CCC[C@H](O)C
Compound: (4R,8R,16R,18R)-2,4,16,18-tetrahydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19)-pentaen-20-one
SMILES: O=C1C2=C(O)C3=C(O[C@@H]4[C@@]3(O)C=CO4)C=C2OC5=C1[C@H](O)C[C@H](C5)O
Compound: Speciosin D
SMILES: O1[C@@]2(C#CC3OC3)[C@@H](O)C=C[C@@H]([C@@H]12)O
Compound: 8-Acetoxyroridin H
SMILES: O=C1OC[C@@]23[C@@]4(C5(OC5)[C@H](O[C@@H]2C=C(C)[C@H](C3)OC(=O)C)C[C@H]4OC(=O)C=CC=C[C@@H]6O[C@H](CC(=C1)C)O[C@H]6C)C
Compound: Curtisian M
SMILES: O=C(OC1=C(O)C(=C(OC(=O)C[C@@H](OC(=O)C)C)C(=C1C2=CC=C(O)C=C2)O)C3=CC=C(O)C=C3)C[C@@H](OC(=O)C)C
Compound: WS-7338 A
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)C)=O)CCC(=O)O)CC=2C3=C(C=CC=C3)NC2)CC(C)C
Compound: Melleolide K
SMILES: ClC1=C(O)C=C(O)C(=C1C)C(=O)O[C@H]2[C@@]3(O)C(=C[C@@H]4CC(C[C@@H]4[C@@]3(C)C2)(C)C)C=O
Compound: Aquachelin D
SMILES: O=C(O)C(O)C(NC(=O)CCCCCCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CCC(=O)N)CO)CO
Compound: Apicidin D1
SMILES: O=C1N2[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1C(CC)C)=O)CC=3C4=C(C=CC=C4)N(C3)OC)CCCCCC(=O)C(O)C)CCCC2
Compound: Medelamine B
SMILES: NCCCCCCCCCCC[C@H](CC)C
Compound: P371A1
SMILES: O=C1C2=C(C(=O)C3=C1[C@@]4(O)[C@](O)(CC(C)=C[C@@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](C5)OC)C)[C@H]([C@H]3O)OC(=O)C)C(O)=C([C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](NC(=O)N)CC8)C)[C@](C7)(O)C)C)C)C=C2
Compound: Porothramycin B
SMILES: O=C1N2C=C(C=CC(=O)N(C)C)C[C@H]2[C@@H](OC)NC3=C1C=CC=C3OC
Compound: Benzoxacystol
SMILES: S(C(=O)C1=C2NC(=O)C(=C)OC2=CC(=C1)OC)C[C@H](NC(=O)C)C(=O)O
Compound: Acremonone D
SMILES: O=C1OCC(O)(C(O)C)C=2C1=C(O)C=C(OC)C2C
Compound: (14alpha,22E)-14-hydroxyergosta-7,22-diene-3,6-dione
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC3)(CC[C@@H]2[C@@]4(C1CC(=O)CC4)C)C
Compound: Nambinone D
SMILES: O=C1C=CC([C@@]1([C@H]2C(=CC(C2)(C)C)CO)C)=C
Compound: (4R,5S)-5-hydroxyhexan-4-olide
SMILES: O=C1O[C@@H]([C@@H](O)C)CC1
Compound: 5-(3'-carboxy-3'-methyl-2E-allyloxy)-3-methoxy-4-methylphthalide
SMILES: O=C1OCC2=C1C=C(OC/C=C(/C(=O)O)\C)C(=C2OC)C
Compound: Fomitopsic acid B
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](COC(=O)CC(=O)O)CCC=C(C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: 3beta-linoleyloxyergosta-7-ene
SMILES: O=C(O[C@@H]1C[C@H]2[C@]([C@@H]3C([C@H]4[C@]([C@@H]([C@@H](CC[C@@H](C(C)C)C)C)CC4)(C)CC3)=CC2)(C)CC1)CCCCCCC/C=C\C/C=C\CCCCC
Compound: 2-formyl-3,5-dimethoxy-6-methylbenzoic acid
SMILES: O=C(O)C1=C(C(OC)=CC(=C1C)OC)C=O
Compound: Communesin I
SMILES: O=C(N1[C@@H]2N3[C@@H](C=4C=CC=C5C4[C@@]6([C@]2(C7=C(N[C@@H]6N5C)C=CC=C7)CC1)CC3)[C@H]8OC8(C)C)C[C@@H](O)CCC
Compound: Peniciketal C
SMILES: O=CC1=C(O)C(=C(O)C=C1C[C@]23OC4=C(C5=C(O[C@]6(C5)O[C@H](C[C@@H](C6)O)C)C(=C4C)O)[C@H](C2)C[C@@H](O3)C)C
Compound: Cytosporolide C
SMILES: O=C1OO[C@@]2([C@H]([C@@H](OC)C=C(COC(=O)C)[C@@H]3[C@]([C@H](C2)O)(O)C(C3)(C)C)[C@@H]4C5=C(C1=C(O)C=C5C[C@@H](CCCCCC)O4)C)C
Compound: Chaetomugilin I
SMILES: ClC1=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@H](CC(=O)/C(=C/C)/C)[C@@](C1=O)(O)C
Compound: Oxosorbicillinol
SMILES: O=C1/C(/C(O)=C(C)C([C@]1(O)C)=O)=C(/O)\C=C\C=C\C
Compound: 7-(4-But-1-enyl-2,5-dioxo-2,5-dihydro-furan-3-ylmethyl)-4,5-dicarboxy-non-5-enoic acid
SMILES: O=C1OC(=O)C(=C1/C=C/CC)CC(/C=C(\C(=O)O)/C(C(=O)O)CCC(=O)O)CC
Compound: Tetracosene
SMILES: C(=C)CCCCCCCCCCCCCCCCCCCCCC
Compound: Hyaluromycin
SMILES: O=C1OC(C(=O)NC2=C(O)CCC2=O)=CC=3C1=C(O)C=4O[C@]5(OC=6C(O)=C7C(=O)C(OC)=CC(C7=C(C6C5)O)=O)CCC4C3
Compound: 2-acetamido-3-hydroxybenzamide
SMILES: O=C(N)C1=C(NC(=O)C)C(O)=CC=C1
Compound: (3S,3'S,4S,4'S)-3,3'-Dimethyl-7,7',9,9'-tetramethoxy-3,3',4,4'-tetrahydro-5,6'-bi(1H-naphtho[2,3-c]pyran)-4,4',10,10'-tetrol
SMILES: O1[C@H]([C@@H](O)C2=C(C3=C(OC)C=C(OC)C=4C3=CC=5[C@H](O)[C@H](C)OCC5C4O)C6=CC(OC)=CC(=C6C(=C2C1)O)OC)C
Compound: 10-Methylundec-3-en-4-olide
SMILES: O=C1OC(CCCCCC(C)C)=CC1
Compound: CB-182597
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCCCCC(CC)C)CC=2C3=C(C=CC=C3)NC2)CCC(=O)O)CC(=O)N)C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CCCCN)C(N[C@H](C(NCC(N[C@@H](C(NC(C(N[C@H]1C(CC)C)=O)C(CC(=O)O)C)=O)CC(=O)N)=O)=O)C(O)C(=O)O)=O)CC(=O)O)C)C)C
Compound: Versicotide C
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)NC2=C(C(=O)N[C@H](C(N([C@H](C(NC3=C1C=CC=C3)=O)C)C)=O)C)C=CC=C2)C)C)C
Compound: 2',3'-Epoxymyrothecine A
SMILES: O=C1OC2C3(C4(C5C(C(O)(C)CC4)CC3(O)C(C2)O5)COC(=O)C6C7(C(C(=CCC=C1)OCC7)O)O6)C
Compound: JBIR-08
SMILES: O=C(N)C(C(O)CC/C(=C/C(=C/C)/C)/CO)C
Compound: VM55596
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@]17[N+]([O-])(CC[C@]7(O)C)C3)C
Compound: (2R,4R,12S)-16,18-dihydroxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),16,18-triene-8,14-dione
SMILES: O=C1O[C@H](CCCC(=O)CCC[C@@H]2[C@@H](C=3C1=C(O)C=C(O)C3)O2)C
Compound: Pseudodestruxin A
SMILES: O=C1N([C@H](C(=O)NCCC(=O)O[C@@H](CC(C)C)C(N2[C@H](C(N[C@H](C(N([C@H]1[C@H](CC)C)C)=O)CC3=CC=CC=C3)=O)CCC2)=O)CC(C)C)C
Compound: Kawaguchipeptin B
SMILES: O=C1N2[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1[C@@H](O)C)=O)CO)=O)CC=3C4=C(C=CC=C4)NC3)=O)CC(=O)N)=O)CC(=O)N)=O)CC(=O)O)CC(=O)N)CC(C)C)CC=5C6=C(C=CC=C6)NC5)CCC2
Compound: Trichorovin-Vb
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)CC(C)C)CC(C)C)(C)C
Compound: FD-594
SMILES: O=C1OC(CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(O)C(O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@@H](O)[C@@H](C9)OC)C)[C@@H](C8)O)C)[C@@H](C7)O)C)=CC=C6OC5C(=C4C(O)C(C3C2)O)OC)CCC
Compound: Isogermicidin A
SMILES: O=C1OC(=CC(=C1CC)O)CC(C)C
Compound: Phomopsis-H76 C
SMILES: O=[N+]([O-])C1=C(C=2C=3O/C(/C=CC3C(=O)OC2)=C/C=C\4/OC=5C(C6=C([N+](=O)[O-])C=C(O)C=C6)=COC(C5C=C4)=O)C=CC(=C1)O
Compound: FR225659
SMILES: ClC(C(NC(=O)C1=CC(C=2C=3C(N=CC2C(=C)C)=CC=CC3)=C(O)C=C1)C(=O)N4[C@H](C(=O)NC(C(=O)O)=C(C)C)[C@@](O)(C)CC4)C(O)CN=C(N)N
Compound: EmycineC
SMILES: O=C1C=2C=3C(=O)C[C@@H](C)CC3CCC2C(=O)C4=C1C=CC=C4O
Compound: Erythro-1-(3',5'-dichloro-4'-methoxyphenyl)-1,2-propanediol
SMILES: ClC1=C(OC)C(Cl)=CC(=C1)[C@H](O)[C@H](O)C
Compound: PAX13
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)CCCCCCC/C=C\CCCCCC)CCCN=C(N)N)=O)CCCCN)CCCCN)CCCCN)CCCCN
Compound: Phenatic acid B
SMILES: O=C1OC(C(=O)C2=C(O)C(=CC(=C2)C)C)C(C1)CC(=O)O
Compound: Epothilone D1
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@@H](C)CC(CCCC(=CC2)C)C)C)C)\C)C
Compound: Dictyophaeric acid B
SMILES: O=C1O[C@H](CCC[C@H]([C@]2([C@H]3C1=C(O[C@H]3[C@@H](O)CC2=O)/C=C/C=C/C=C/C(=O)O)O)O)C
Compound: Tanzawaic acid F
SMILES: O=C(O)/C=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)CC(C(=O)O)C[C@H]2C
Compound: Butyl lucidenate A
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)[C@@H](CCC(=O)OCCCC)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Compound: Tubulysin H
SMILES: S1C(=NC(=C1)C(=O)N[C@@H](CC2=CC=CC=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
Compound: Gephyronic acid
SMILES: O=C(C([C@@H](OC)[C@@H]([C@@H](O)CC(=O)O)C)(C)C)[C@H](C[C@@H]([C@H](O)[C@]1(O[C@@H]1[C@H](C=C(C)C)C)C)C)C
Compound: Inonotsutriol B
SMILES: OC([C@H]1[C@H](O)[C@@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)CC3)(C)CC2)C)CC1)(C)C
Compound: Botryosphaerinone
SMILES: O=C1C[C@@H](CC(=O)O)[C@H](C1)C/C=C\CC
Compound: 2-hydroxy-Alternariol
SMILES: O=C1OC2=C(C(=C(O)C(=C2)O)C)C=3C1=C(O)C=C(O)C3
Compound: 3,5-dichloroaniline
SMILES: Nc1cc(Cl)cc(Cl)c1
Compound: Pseudotrienic acid A
SMILES: O=C(O)/C=C/C=C/C=C/CCNC(=O)[C@H]([C@@H](O)CNC(=O)C/C=C(/C=C/C(O)CCCCCCCCC)\C)C
Compound: Lecanorafuran A
SMILES: O1C2=C(C3=C(O)C=C(C)C4=C3OC=5C=C(O)C=C(C45)C)C(O)=CC(=C2C6=C1C=C(O)C=C6C)C
Compound: Mansouramycin C
SMILES: O=C1C(NC)=CC(=O)C2=C1C=NC(=C2)C(=O)OC
Compound: Citriquinochroman
SMILES: O=C1C2=C(NC3=C1C(=O)N4C(=CC=C34)[C@H]5O[C@H](CC=6C5=C(OC)C=C(O)C6C)C)C=CC=C2
Compound: Berninamycin A
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N/C(/C=3OC(C)=C(N3)C(=O)NC(C(=O)N[C@@H](C(O)(C)C)C(NC(C4=NC(C(NC(C(NC(C5=NC(C6=C2C=CC(=N6)C(=O)NC(C(=O)NC(C(=O)N)=C)=C)=CO5)=C)=O)=C)=O)=C(O4)C)=C)=O)=C)=C\C)[C@H](O)C
Compound: Chlorflavonin A
SMILES: ClC1=C(O)C(C=2OC3=C(OC)C(OC)=CC(=C3C(C2OC)=O)O)=CC(=C1)O
Compound: Beauverolide L
SMILES: O=C1O[C@H]([C@H](CCCCCC)C)CC(=O)N[C@@H](CC2=CC=CC=C2)C(N[C@H](C(N[C@@H]1CC(C)C)=O)C)=O
Compound: (2S*, 4R*, 8R*, 1′S*)4,8-dihydroxy-2-(1-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one
SMILES: O=C1C2=C(O[C@@H]([C@H](O)CCCCCC)C[C@@H]2O)[C@H](O)CC1
Compound: 4-O,3'-O-didemethyl mutactimycin
SMILES: O=C1C2=C(O)C3=C(C[C@](O)(C)C[C@@H]3O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C(=C2C(=O)C=5C1=C(O)C(=CC5)C)O
Compound: Squalestatin H9
SMILES: O=C(O)[C@@]1(O)[C@@]2(O[C@](CCC3(C4=C(C=CC=C4)CC(C3O)C)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2O)O)C(=O)O
Compound: Coelomycin
SMILES: O=C1N(O)C(O)=C(C(=O)C2=CC=CC=C2)N=C1CC3=CC=CC=C3
Compound: Cyclonerodiol oxide
SMILES: O1[C@@]([C@H]2[C@@H]([C@@](O)(C)CC2)C)(CC[C@H]1C(O)(C)C)C
Compound: Monaspilosin
SMILES: O=C(OCCC1=CC=C(O)C=C1)CC2=CC=CC=C2
Compound: Cyclo(L-Tyr-L-Pro-L-Phe-trans-4-hydroxy-L-Pro)
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(N[C@H]1CC4=CC=C(O)C=C4)=O)CCC3)CC5=CC=CC=C5)C[C@H](C2)O
Compound: Agardhipeptin B
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]1CC(C)C)=O)CC=4C5=C(C=CC=C5)NC4)=O)C(C)C)=O)CC=6C7=C(C=CC=C7)NC6)CCC3)C)CC=8C9=C(C=CC=C9)NC8)CCC2
Compound: 3alpha-Hydroxy-3,5-dihydromonacolin L
SMILES: O=C(O)C[C@H](O)C[C@@H](O)CC[C@@H]1[C@@H]2C(=C[C@H]([C@@H]1C)O)C[C@H](C)CC2
Compound: Coniosetin
SMILES: O=C/1NC(C(O)C)C(\C1=C(/O)\[C@@]2([C@@H](C(=C[C@H]3[C@H]2CC[C@H](C3)C)C)/C=C/C=C/C)C)=O
Compound: Ascosteroside B
SMILES: O=C(O)[C@]12C3=C([C@@]4([C@H](C(=C)[C@@H](O[C@H]5O[C@@H]([C@@H](OC)[C@@H]([C@H]5O)O)CO)CC4)CC3)C)CC[C@@]1([C@@H]([C@@H](CCC=C(C)C)C)C[C@H]2O)C
Compound: Strepsesquitriol
SMILES: O[C@@]12[C@]3([C@@](O)(C(C)(C)[C@H](C3)CC1)C)[C@H](O)C[C@@H]2C
Compound: Nigernin B
SMILES: O=C(O)C1=CC[C@@]2(CC[C@@]3([C@@H]([C@H]2CC1)[C@@H](C(=C)C)CC3)C)C
Compound: Ergosta-7,22-diene-3beta-yl pentadecanoa
SMILES: O=C(O[C@@H]1C[C@H]2[C@]([C@@H]3C([C@H]4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC4)(C)CC3)=CC2)(C)CC1)CCCCCCCCCCCCCC
Compound: Coibacin A
SMILES: O=C1O[C@H](/C=C/C=C/CC/C=C/C=C/[C@@H]2[C@@H](C)C2)CC=C1
Compound: Aurantinin A
SMILES: O=C1OC(=O)C2C(C(C(C)=CC3C2CCC(C3O)C)/C=C/C=C/C=C(/CC(CC(O)C(C(=O)O)C)C)\C)=C4C(=C1C)CC(O)C4C
Compound: (all-E,2R,2'R)-2-(4-hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-1',2'-dihydro-beta,psi-caroten-1'-ol
SMILES: OC([C@@H](CC=C(C)C)CC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(CC[C@@H](C1(C)C)C/C=C(/CO)\C)C)\C)\C)/C)/C)/C)(C)C
Compound: 21-hydroxy oligomycin C
SMILES: O=C1O[C@H]2[C@@H]([C@@]3(O[C@H]([C@H]2C)C[C@@H](O)[C@H](C=CC=CC[C@@H](C)[C@@H]([C@@H](C([C@H]([C@@H]([C@H](C([C@H]([C@@H]([C@H](C=C1)C)O)C)=O)C)O)C)=O)C)O)CC)O[C@H]([C@@H](C)CC3)C[C@H](O)C)C
Compound: Versicamide B
SMILES: O=C1N2C=CC(C=3NC4=C(C3C[C@H]2C(=O)N5C1=CCC5)C=CC6=C4C(OC)CC(O6)(C)C)(C)C
Compound: SMTP-10L
SMILES: O=C1N([C@H](C(=O)O)[C@H](CC)C)CC2=C1C=C(O)C3=C2O[C@]([C@@H](O)C3)(CCC=C(CCC=C(C)C)C)C
Compound: (S)-Cinnamoylphosphoramide
SMILES: [P@](=O)(OC1=CC=C(/C=C/C(=O)OC)C=C1)(OC)N
Compound: Solanopyrone A
SMILES: O=C1OC(=CC(=C1C=O)OC)[C@@H]2[C@@H]3[C@H](C=C[C@H]2C)CCCC3
Compound: Chlorogentisylalcohol
SMILES: ClC1=C(O)C(=CC(=C1)O)CO
Compound: Ficiolide I
SMILES: O=C(O[C@@H](CC[C@H](O)C=CC(=O)OC)C)C=C[C@@H](O)CC[C@H](O)C
Compound: (3R)-4alpha,4aalpha,8abeta-Trihydroxy-5alpha-methoxy-4-methyl-3alpha-(3-methyl-2-butenyl)hexahydro-1H-2-benzothiopyran-6(5H)-one
SMILES: S1[C@@H]([C@](O)([C@@]2(O)[C@H](OC)C(=O)CC[C@@]2(C1)O)C)CC=C(C)C
Compound: Tripropeptin Z
SMILES: O=C1OC(CC(=O)NC(C(=O)N2C(C(=O)N3C(C(=O)NC(C(NC(C(NC(C(N4C(C(NC1C(O)C(=O)O)=O)C(O)CC4)=O)CO)=O)C(O)C(=O)O)=O)CCCN=C(N)N)CCC3)CCC2)C(O)C)CCCCCCC(C)C
Compound: Stemphyltoxin III
SMILES: O=C1C2=C(O)C=CC3=C2[C@](O)([C@@H]4[C@H]5O[C@H]5C(C=6C4=C3C=CC6O)=O)C=C1
Compound: Uncialamycin
SMILES: O=C1C2=C3N[C@H]4C#CC=CC#C[C@H]([C@]5(C3=CC(=C2C(=O)C6=C1C=CC=C6)O)O[C@@]45C(O)C)O
Compound: Microcolin A
SMILES: O=C1N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](C[C@@H](CCCC)C)C)C)CC(C)C)C(OC(=O)C)C)C)C(C)C)C[C@H](C2)O)[C@@H](C)C=C1
Compound: (4aS),( 10bS)-7-amino-3,4,4a,5,6,10b-hexahydro-2,4-dimethyl-6-oxobenzo[f]quinoline
SMILES: O=C1C2=C(N)C=CC=C2C3C=C(C)CN(C3C1)C
Compound: Ampelomin E
SMILES: O[C@H]1[C@@H](O)C[C@H](C)[C@H](C1)O
Compound: Cereulide
SMILES: O=C1O[C@@H](C(=O)N[C@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(N[C@@H](C(O[C@@H](C(N[C@@H](C(O[C@H](C(N[C@H]1C(C)C)=O)C(C)C)=O)C)=O)CC(C)C)=O)C(C)C)=O)C(C)C)C)CC(C)C)C(C)C)C(C)C)C)CC(C)C
Compound: 11,11'-O-dimethylelaiophylin
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](CC)[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)O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)O)C)C)OC)C)C
Compound: Iromycin C
SMILES: O=C1NC(=C(CCC)C(=C1C)O)C/C=C(/C/C=C/CC)\C
Compound: Velutinal lactarinic acid ester
SMILES: O=C(O[C@H]1OC[C@@]23[C@]14[C@]([C@H]5CC(C)(C)C[C@H]5[C@@H]2O3)(C)C4)CCCCC(=O)CCCCCCCCCCCC
Compound: Phomolide D
SMILES: O=C1O[C@@H](C[C@H](O)C(=O)C[C@H](CC1)O)CCC
Compound: Marinopyrazinone B
SMILES: O=C1NC(=C(C)N=C1CC2=CC=C(O)C=C2)CCCCCCCC(C)C
Compound: Cyanopeptolin C
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)CC3=CC=CC=C3)C)=O)CC(C)C)C2=O)O)CCCCNC)C
Compound: Carnemycin B
SMILES: O=C(OC)C1=C(O)C(=C(O)C=C1CCC=CC=CCCC)C2OC(C(O)C(C2O)O)CO
Compound: Taveuniamide E
SMILES: ClC(Cl)=CC#CCC[C@@H](C(=O)OC)[C@H](NC(=O)C)CCCC#C/C=C/Cl
Compound: Epohelmin B
SMILES: O=C(/C=C/CCCCC)CCC[C@H]1NCCC[C@@H]2[C@H](C1)O2
Compound: Syringostatin A
SMILES: ClCC(O)C1NC(=O)C(NC(=O)/C(/NC(=O)C(NC(=O)C(NC(=O)C(NC(C(NC(C(NC(C(COC1=O)NC(=O)CC(O)CCCCCCCCCCC)=O)CCN)=O)CCN)=O)CCO)CCCN)C(O)C)=C/C)C(O)C(=O)O
Compound: Halstoctacosanolide B
SMILES: O=C1OC(C(C/C(=C/C(O)C(O)CC(O)C(C(O)CC)C)/C)C)CC(O)C(C=CC=CCC(C(=O)CC2OC(CC=C(C=C(C(CC=C1C)O)C)C)(O)C(CC2)C)C)C
Compound: Vertilecanin B
SMILES: O=C(NCC(=O)O)C1=NC=C([C@H](O)C2=CC=CC=C2)C=C1
Compound: Cylindrol A3
SMILES: O=C1[C@@H]([C@]([C@H](C)CC1)(C[C@@H](OC(=O)CC(C)C)/C(=C/CC2=C(O)C(=C(C)C=C2O)C=O)/C)C)C
Compound: Xeromphalinone C
SMILES: O=C1C(=C2[C@H]3[C@H](CC(C3)(C)C)C[C@]2(C1)O)CO
Compound: Adipyl-7-aminocephalosporanic acid
SMILES: S1[C@H]2N(C(C(=O)O)=C(C1)COC(=O)C)C(=O)[C@H]2NC(=O)CCCCC(=O)O
Compound: Decarboxynorimbricaric acid
SMILES: O=C(OC1=CC(O)=CC(=C1)CCC)C2=C(O)C=C(O)C=C2CCCCC
Compound: [(4aR,6R,7aS,7bR)-3,6,7b-trimethyl-2-oxo-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-6-yl]methyl 6-oxooctadecanoate
SMILES: O=C1C2=C(C[C@@H]3C[C@](C[C@@H]3[C@@]2(C)C1)(COC(=O)CCCCC(=O)CCCCCCCCCCCC)C)C
Compound: Kigamicin E
SMILES: O=C1N2C(OCC2)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)C(OC8OC(C(OC9OC(C(OC%10OC(C(OC%11OC(C(O)C(C%11)OC)C)C(C%10)OC)C)C(C9)OC)C)CC8)C)CC7O)OC6C%12=C5C(OCO%12)CC4C3)C
Compound: RKS-1778
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@@]14[C@H](OC(=O)C)C=C[C@](O)(C[C@H](CC=C[C@H]4C=C(C)[C@H]3C)C)C
Compound: Aspergillicin C
SMILES: O=C1O[C@@H]([C@H](NC(=O)C)C(=O)N[C@@H](C(=O)N2[C@@H](CCC2)C(N3[C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC4=CC=CC=C4)C)=O)CCC3)=O)[C@H](CC)C)C
Compound: Umbilicaxanthone A
SMILES: O=C1C2=C(OC3=C1C=C(O)C=C3O)C(OC)=CC(=C2O)CC=C(C)C
Compound: 6-O-methylreticulol
SMILES: O=C1OC(=CC=2C1=C(O)C(OC)=C(OC)C2)C
Compound: Guanacastepene F
SMILES: O=C1C2=C3[C@@](CC[C@]4([C@@H]([C@H]3OC2)C(=O)[C@H](OC(=O)C)[C@@H]4C(C)C)C)(C)[C@H](C1)O
Compound: 5-hydroxy-3-methoxydihydrofusarubin A
SMILES: O=C1C2=C(O)C=C(OC)C(=C2[C@H](O)[C@@H]3[C@@H]1CO[C@](C3)(OC)C)O
Compound: Cicadapeptin II
SMILES: O=C(N[C@H](C(=O)N[C@H](CN)CC(C)C)[C@H](CC)C)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@H]2N(C(=O)CCCCCCCCC)C[C@@H](C2)O)C[C@@H](C1)O)C(C)C)(C)C)CCC(=O)N)(C)C
Compound: Verrulactone B
SMILES: O=C1OC2=C(C(O)=C(O)C=C2C=3C1=C(O)C=C(OC)C3)C4=C(O)C(O)=CC5=C4C6=C(C(O)=CC(=C6)OC)C(O5)=O
Compound: (E)-4-phenyl-3-(pyridine-2-yl)but-2-en-1-ol
SMILES: OC/C=C(/C1=NC=CC=C1)\CC2=CC=CC=C2
Compound: Rubiginone H
SMILES: O=C1C2=C(O)C(=CC=C2[C@H](OC(=O)C)[C@@H]([C@@H]1O)C)C3OC(=O)C=4C3=C(OC)C=CC4
Compound: Panepoxydione
SMILES: O=C1C(=CC(=O)[C@H]2[C@@H]1O2)[C@H](O)C=C(C)C
Compound: Tumescenamide B
SMILES: O=C/1O[C@H]([C@H](NC(=O)C(CC(CC(CCC)C)C)C)C(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](C(N\C1=C/C)=O)CC2=CC=C(O)C=C2)=O)C(C)C)CC(C)C)C
Compound: Trichocellin-A-IV
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)N)(CC)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)C)(C)C)C)(C)C)C)CCC(=O)N)(C)C)C(CC)C)(C)C)(C)C)(C)C
Compound: Ulbactin F
SMILES: S1C(=N[C@H](C1)[C@H]2SC[C@H]3N2C(=O)[C@H]4N(C)[C@@H]3SC4)C5=C(O)C=CC=C5
Compound: Trichocellin-A-III
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)N)(C)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)C)(C)C)C)(C)C)C)CCC(=O)N)(C)C)C(CC)C)(C)C)(C)C)(C)C
Compound: Syringolide 1
SMILES: O=C1OC[C@]23[C@H]1[C@@](O[C@H]2[C@H](O)CO3)(O)CCCCC
Compound: Microsphaeropsone A
SMILES: O=C1C2=C(OC3=C1[C@](O)(C(=O)OC)[C@H](O)C(C)=CO3)C=CC=C2O
Compound: YM-32890 B
SMILES: O=C1OC(C(C=CC(O)CC=CCCC(CC(CC=CC(CC(C1)O)O)=C)O)C)C/C=C(\C=C/C=C/C=C)/C
Compound: 4,8-dihydroxy-3-hydroxymethyl-4xi-methyl-1,4-dihydronaphthalene-1-one
SMILES: O=C1C2=C(O)C=CC=C2[C@](O)(C)C(=C1)CO
Compound: Neoverrucosan-5beta,9beta,18beta-triol
SMILES: O[C@@H]1[C@@]2([C@@H]([C@H]3[C@H]4[C@@](CO)([C@@H](C[C@@]3(C1)C)O)C4)[C@H](C(C)C)CC2)C
Compound: Trikoningin-KA-V
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)CCC(=O)N)C(CC)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C)(C)C)C)(C)C)C(CC)C)CCC(=O)N)(C)C)(C)C)(C)C)CO)CC(C)C)(C)C
Compound: Helicusin D
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C/C(=C/C(=O)O)/C)C)=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C
Compound: Sorbicillamine C
SMILES: O=C1C(=C(O)/C(=C(\O)/C=C/C=C/C)/[C@H]2[C@@]1(O[C@@]3(O)[C@@](O)(C4=N[C@@H](/C=C/C)CC(C4=C([C@@]23C)O)=O)C)C)C
Compound: Thermolide A
SMILES: O=C1O[C@H]([C@@H](C[C@H]([C@@H](O)C[C@@H](CC(N[C@@H]1C)=O)O)C)C)[C@H](C[C@@H]([C@H](O)[C@@H]([C@H](OC(=O)C)C[C@@H](O)C)C)C)C
Compound: Epiaspinonediol
SMILES: O=C(C=CC(=C[C@H](O)C)CO)C
Compound: Ganosinensic acid A
SMILES: O=C1C([C@H]2[C@]3(C4=C([C@@]5(C(=O)C[C@@H]([C@]5(C[C@]4([C@H]3C1)O)C)[C@@H](CCC(=O)O)C)C)[C@H](C2)O)C)(C)C
Compound: Coryoctalactone D
SMILES: O=C1C2=C(O)C=C(O)C=C2CC(=O)OC(=C1)C
Compound: FR901516
SMILES: O=C1OC(/C=C/C2=C3C(=CC=C2C)CC(C)CC3OC(=O)C)CC(C1)O
Compound: Scabronine D
SMILES: O=C(OCC1=CC2(O)[C@@]3(CC[C@@]4(C([C@H]3C[C@H]1O2)=C(C(C)C)CC4)C(=O)O)C)C5=CC=CC=C5
Compound: Asterriquinone B1
SMILES: O=C1C(OC)=C(C(=O)C(=C1C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)OC)C=4C5=C(C(=CC=C5)CC=C(C)C)NC4
Compound: Trichostatin RK
SMILES: O=C(NC)/C=C/C(=C/[C@@H](C(=O)C1=CC=C(N(C)C)C=C1)C)/C
Compound: 2-methyl-5-nonanol
SMILES: O[C@H](CCC(C)C)CCCC
Compound: Ulongamide B
SMILES: S1C2=NC(=C1)C(=O)N[C@@H]([C@H](C(=O)O[C@@H](C)C(N(C(C(N([C@H](C(N[C@H]2C)=O)C(C)C)C)=O)CC3=CC=C(O)C=C3)C)=O)C)CCC
Compound: Chloropestolide F
SMILES: ClC=1C(=O)[C@]2(OC(=O)C=3C(O)=CC(=CC3O2)C)[C@@]4(C(=O)CO)CC(C)=C\C(\[C@H]4C1OC)=C\5/[C@@H](O)[C@]6(O[C@H]6[C@H](C5)O)CC=C(C)C
Compound: Acremolactone B
SMILES: O=C1O[C@@]2([C@@H](O)CC3=C([C@@H]2[C@H]1[C@H](O)/C(=C/CCC)/C)C=NC(=C3O)C4=C(C=CC=C4)C)C
Compound: Asperpyrone E
SMILES: O=C1C(=C(OC)C2=C3OC(=CC(=C3C(=CC2=C1)O)O)C)C4=C(O)C=5C(=O)C=C(C)CC5C=6C4=CC(OC)=CC6OC
Compound: N-Acetylkynuramine
SMILES: O=C(C1=C(N)C=CC=C1)CCNC(=O)C
Compound: Pyrenulic acid H
SMILES: O=C(O)/C=C/C=C/[C@@H]1O[C@H](C(=C)[C@@]2([C@H]([C@H]1O)[C@@H]3[C@H](CC(C)=CC3)C=C2C)O)[C@H](CC)C
Compound: 3-(1-aminoethylidene)-6-methyl-2H-pyran-2,4(3H)-dione
SMILES: O=C1OC(=CC(=C1C(=N)C)O)C
Compound: 1,4,9-trihydroxy-1,2-dihydroperylene-3,10-dione
SMILES: O=C1C=2C=3C(=C4C5=C(C(=O)C=C4)C(O)=CC=C5C3[C@H](O)CC2O)C=C1
Compound: Lariatin B
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2[C@H](C(=O)N3[C@H](C(=O)O)CCC3)CCC2)CCCCN)[C@H](CC)C)C(C)C)CC(=O)N)CO)CC=4NC=NC4)C(C)C)CC=5C6=C(C=CC=C6)NC5)CCC(=O)NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CC(C)C)=O)CCC(=O)N)=O)CO)=O)CCCNC(=N)N)CC7=CC=C(O)C=C7
Compound: Asperdemin
SMILES: O=C1OC([C@@H]2[C@H](O)C[C@@]3([C@@H]([C@]2([C@H](C1)O)C)CC=4C(=O)OC(=CC4O3)C)C)(C)C
Compound: Sterhirsutin A
SMILES: O=C1C=2O[C@]3([C@@H](CCC(=CCC(C=CC3)(C)C)C)CC2[C@@]4([C@H]1C[C@H]5C[C@@](C[C@@H]45)(C(=O)O)C)C)C
Compound: Melanocin B
SMILES: O=C(/C(/NC=O)=C/C1=CC(O)=C(O)C=C1)CC2=CC(O)=C(O)C=C2
Compound: Pestalotether B
SMILES: ClC1=C(O)C(OC2=CC(O)=CC(=C2)C)=C(C(=O)OC)C=C1OC
Compound: Sodagnitin E
SMILES: O=C1C=C(C(=C)[C@H]2O[C@@H](O)C([C@H]3[C@]4([C@@H]([C@@]5([C@H](C([C@@H](O)[C@@H](C5)O)(C)C)CC4)C)CC3)C)=CC2)OC1(C)C
Compound: 1,7-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)-9H-xanthen-9-one
SMILES: O=C1C2=C(O)C(OC)=C(CC=C(C)C)C=C2OC3=C1C=C(O)C=C3
Compound: GE37468 A
SMILES: S1C(=NC(=C1)C(=O)NC(C(=O)NC(C(=O)O)=C)=C)C2=NC3=C(C=4OC(C)=C(N4)C(=O)NC(C=5SC=C(N5)C(=O)NC(C=6SCC(C(NC(C(N7C(C8=NC(C9=NC3=CS9)=CS8)C(CC7O)C)=O)CC%10=CC=C(O)C=C%10)=O)N6)CC%11=CC=CC=C%11)CC(=O)N)C=C2
Compound: Ganbajunin C
SMILES: O=C(OC1=CC=C(C2=C(O)C(O)=C(C3=CC=C(OC(=O)CC4=CC=CC=C4)C=C3)C(=C2O)O)C=C1)CC5=CC=CC=C5
Compound: Palmarumycin B8
SMILES: O=C1C2=C(O)C=CC=C2C3([C@@]1(O)C(=O)OC)OC=4C=5C(C=CC4)=CC=CC5O3
Compound: Tsugarioside B
SMILES: O=C(OC1OCC(O)C(C1O)O)[C@@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@H](OC(=O)C)CC5)(C)C)CC4)C)CC3)(C)CC2)C)C/C=C(\C(=C)C)/C
Compound: Rhodostegone
SMILES: O=C(/C=C/C)C[C@@H]1OCC[C@@H](C1)O
Compound: Napyradiomycin 3
SMILES: Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(CC[C@H](C(C4)=C)O)C)OC1(C)C)=O
Compound: Spirangien A
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/C)/C)C)C)[C@@H](O)C[C@@H]1C)C)C
Compound: 18Z-lyngbyaloside C
SMILES: Br\C=C/C=C/[C@]1(OC(=O)C[C@]2(O[C@H](C[C@H](C2)O[C@@H]3O[C@H]([C@H](OC)[C@H]([C@H]3OC)OC)C)CC[C@H]([C@@H](C1)O)C)O)C
Compound: Nitrosoxacin A
SMILES: ON=[N+]([O-])CCCCCCCCCCCCCC(C)C
Compound: Pyrenulic acid A
SMILES: O=C(O)/C=C/C=C/C=C/[C@@H]1[C@@H](C(=C[C@H]2[C@H]1CC=C(C2)C)C)[C@]3(O[C@@H]3[C@@H](CC)C)C
Compound: Ascosetin
SMILES: O=C1NC(CC(C)C)C(C1=C(O)[C@@]2([C@@H](C(=C[C@H]3[C@H]2CC[C@H](C3)C)C)C(=CC(=O)O)C)C)=O
Compound: Cyclo(Phenylalanyl-N-methyltyrosyl)
SMILES: O=C1N([C@H](C(=O)N[C@H]1CC2=CC=CC=C2)CC3=CC=C(O)C=C3)C
Compound: 3-ethyl-2,5-dimethylpyrazine
SMILES: N1=C(C(=NC=C1C)C)CC
Compound: Penicillar A
SMILES: O=C/C(=C/C=C/C[C@H](O)C)/CCC
Compound: 5,7,4′-trihydroxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside
SMILES: O=C1C2=C(OC=C1C3=CC=C(O)C=C3)C=C(O[C@@H]4OC(C(OC)[C@H]([C@@H]4O)O)CO)C=C2O
Compound: Echinosporamicin
SMILES: O=C1N(C(=CC2=C1C(=O)C3=C4C(=O)C5=C(O)C=6C(C(=O)C=CC6)=C(C5=C(C4=CC=C3C2=O)OC)O)C)CC(=O)N7[C@H](C(=O)N[C@@H](C7)C(=O)O)C
Compound: Iremycin
SMILES: O=C1C2=C(O)C3=C([C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)N(C)C)C)[C@@](O)(CC)CC3)C(=C2C(=O)C=5C1=C(O)C=CC5)O
Compound: Trichocyalide A
SMILES: O=C1OCC(=C1CO)CC=CC=CC
Compound: Mabetaariphenone
SMILES: O=C(C1=C(C=CC(=C1)O)C)[C@@H](O)C
Compound: Actagardine, oxidised form
SMILES: S1(=O)C(C2NC(=O)CNC(=O)C3NC(=O)C(NC(=O)C(C(CC)C)NC(C(C(SCC(C(NC(C(NC(C1)C(=O)O)=O)C)=O)NC(C(NC(C(NC2=O)C(C)C)=O)C(CC)C)=O)C)NC(=O)C(NC(C(C(SC3)C)NC(=O)C4NC(=O)C(NC(=O)C(NC(=O)CNC(C(NC(C(CSC4)N)=O)CO)=O)CC=5C6=C(C=CC=C6)NC5)C(C)C)=O)CC(C)C)=O)CCC(=O)O)C
Compound: YM-47515
SMILES: O=C(O)CCCCCCCCCCC[C@@H](O)[C@H]1O[C@]1([N+]#[C-])C
Compound: CA-phytotoxin
SMILES: O=C(OC1OC(C(O)C(C1O)O)CO)CC/C=C/CCCCCC/C=C/C(O)CCCCCC
Compound: Roseobacticide J
SMILES: S(SC=1C=C2OC(=O)C(=C2C=CC1)C3=CC=CC=C3)C=4C=C5OC(=O)C(=C5C=CC4)C6=CC=CC=C6
Compound: (2-acetamido-2-deoxy-alpha-D-glucopyranosyl)-(1->2)-beta-D-fructofuranose
SMILES: O=C(N[C@H]1[C@H](O[C@H](CO)[C@H]([C@@H]1O)O)O[C@@]2(O[C@H](CO)[C@H]([C@@H]2O)O)CO)C
Compound: Cyathin B2
SMILES: O=C1[C@]2([C@@H](C3=C(C(C)C)CC[C@]3(C)CC2)CC=C(C1)C=O)C
Compound: Illudin J
SMILES: O=C1C2=C([C@](O)(C)C3([C@H]1C)CC3)C[C@@](C2)(CO)C
Compound: Viridicatumtoxin B
SMILES: O=C1C2=C(O)C3=C(O)C=C(OC)C4=C3C(=C2C5(O)C6(C1(O)C(O)=C(C(=O)C6)C(=O)N)O5)CC74C(=CCCC7(C)C)C
Compound: Abybetaomicin B
SMILES: O=C1C=2C(=O)O[C@@]34C2O[C@@H]([C@H](O)[C@H]3C5=NO[C@@]([C@H](C[C@H]1C)C)(O)C5)[C@H](C)C4
Compound: Enniatin K1
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)CC)C)C(C)C)C(C)C)C)C(C)C
Compound: (3R,5R)-6,6,14-trihydroxy-3-methyl-4,18,19,22-tetraoxahexacyclo[15.2.2.11,7.03,5.08,17.010,15]docosa-7,10(15),11,13,20-pentaene-9,16-dione
SMILES: O=C1C2=C(C(O)=CC=C2)C(=O)C34C1=C5OC(C[C@@]6([C@H](C5(O)O)O6)C)(OO3)C=C4
Compound: Prelactone C
SMILES: O=C1O[C@H](/C=C/C)[C@@H](C)[C@@H](C1)O
Compound: Sch-47555
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](OC5OC(C(=O)C=C5)C)(C)C4)O)C6OC(C(OC7OC(C(O)CC7)C)CC6)C
Compound: 11-O-methylelaiophylin
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](CC)[C@@H](C2)O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)O)C)C)O)C)C)C)[C@H]([C@@H](O)[C@@H]([C@@]4(O[C@@H]([C@@H](CC)[C@@H](C4)O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)O)C)C)OC)C)C
Compound: Cryptosporioptide B
SMILES: O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)[C@@H]7O[C@]7(C)[C@@H]([C@]6(C)OC5C=C4)OC(=O)CC(=O)O)=CC=C3O[C@]2([C@@H](OC(=O)C(C(=O)O)CC)[C@@]8([C@H]1O8)C)C
Compound: Juglomycin I
SMILES: O=C1C2=C(O)C=CC=C2[C@H](O)[C@@H](C1)C[C@H](O)CC(=O)O
Compound: Kolokoside B
SMILES: O=C1[C@H]2[C@]3([C@@]([C@@H]4C([C@@]5([C@H](C([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)[C@@H](C5)O)(C)C)CC4)C)=CC3)(C[C@H]([C@]2(C)[C@H](C1)C(C)C)O)C)C
Compound: (7S*,16S*,18S*,19R*)-7,18-dihydroxy-19-O-(4-methyl-6(E),8(E)-hexadecadienoyl)-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(12),13(E)-diene-1,21-dione
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(=O)CCC(C/C=C/C=C/CCCCCCC)C)(O)C)C)O)=C)CC4=CC=CC=C4
Compound: Pukeleimide E
SMILES: O=C1N(/C(=C/C(=O)N2C(=O)C=C(C2)OC)/CC1=C)C
Compound: Micromonomycin
SMILES: O=C1C2=C(O)C3=C([C@@H](C(=O)OC)[C@@](O)(C)C[C@@H]3O[C@@H]4O[C@H]([C@](O)(C(=O)C)CC4)C)C=C2C(=O)C=5C1=C(O)C=CC5
Compound: 1-epi-nambinone B
SMILES: O=C1C=C2[C@]([C@H](C[C@H]([C@@H]2O)O)C)(C)[C@@H]3[C@H]1C3(CO)C
Compound: TMC-66
SMILES: O=C1N2[C@](OC[C@@H]2C(=O)O)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)=CC=C7)C(C6C=C5CCC4C3)=O)C
Compound: Aflavinine
SMILES: O[C@@H]1[C@]23[C@]([C@H](C)CC1)(CC[C@H]([C@H]2C(=C(C(C)C)CC3)C=4C5=C(C=CC=C5)NC4)C)C
Compound: Kerriamycin C
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](O)(C)C4)O)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O)C)CC6)C)C
Compound: 6′-hydroxy-4,2′,3′,4''-tetramethoxy-p-terphenyl
SMILES: O(C1=C(OC)C(C2=CC=C(OC)C=C2)=CC(=C1C3=CC=C(OC)C=C3)O)C
Compound: (3R*,4S*,5S*)-3-Acetoxy-5-hydroxyhexan-4
SMILES: O=C1O[C@@H]([C@@H](O)C)[C@@H](C1)OC(=O)C
Compound: Herbicidin H
SMILES: O=C(O[C@@H]1[C@@]2(O[C@@H]3[C@@H](OC)[C@H](N4C5=NC=NC(=C5N=C4)N)O[C@@H]3C[C@H]2O[C@@H]([C@H]1O)C(=O)O)O)/C(=C/C)/CO
Compound: Terricollene A
SMILES: O1[C@H](OCC2=CC=C(OCC=C=C)C=C2)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: 4-hydroxy-3-methoxyphenyl 4-O-methyl-beta-glucopyranoside
SMILES: O1[C@@H](OC2=CC(OC)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)OC
Compound: 4-(O-methyl-aci-nitro)crotonic acid
SMILES: O=C(O)/C=C/C=[N+](/OC)\[O-]
Compound: 1-hydroxyeremophil-7(11),9(10)-dien-8-one
SMILES: O=C1C(=C(C)C)C[C@@]2([C@H](CCC(C2=C1)O)C)C
Compound: Guignardone G
SMILES: O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(=C)C)C)[C@@H](O)C[C@@H]1O
Compound: Crobetabyanol A
SMILES: BrC1=C(OC2=C(Br)C=C(Br)C=C2)C(O)=CC=C1OC3=C(Br)C=C(OC4=CC(Br)=C(O)C=C4)C=C3OC5=C(Br)C=C(Br)C=C5
Compound: Ophiobolin B lactone
SMILES: O=C1O[C@H]2C[C@](O)(C)[C@@H]3[C@H]2C1=CC[C@H]4[C@@](O)([C@H](CCC=C(C)C)C)CC[C@]4(C)C3
Compound: 4-O-acetyl hygrophorone A14
SMILES: O=C1C=C[C@@H]([C@]1(O)C(O)CCCCCCCCCCCCCC)OC(=O)C
Compound: Citreohybridone J
SMILES: O=C1O[C@H]2C[C@]3(C([C@]14C2C([C@@H](OC(=O)C)CC4)(C)C)=C[C@]5(O[C@@]6(C)[C@H]([C@]3(C(=O)OC)[C@@]5([C@H]6OC(=O)C)C)O)C)C
Compound: Corynechromone H
SMILES: O=C1C2=C(O[C@H](C1)C[C@@H](O)C)C(OC)=C(O)C=C2CC(=O)O
Compound: Acremonidin G
SMILES: O=C1C2=C(O)C=C(C)C=C2[C@H](O)[C@]34[C@]1(O)C(=O)[C@H](C=5C(O)=C(C(=O)C6=C(C(O)=CC=C6O)C(=O)OC)C(=CC5C3)O)C=C4
Compound: methyl 13-methyltetradecanoate
SMILES: O=C(OC)CCCCCCCCCCCC(C)C
Compound: Micropeptin MM836
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@H](O)CO)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CC(C)C)C
Compound: Epi-Fumonisin B4
SMILES: O=C(O)[C@@H](CC(=O)O[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@H](CCCCCCCC[C@@H](O)[C@@H](N)C)C)[C@@H](CCCC)C)CC(=O)O
Compound: S19159
SMILES: O=C1[C@]23[C@]4(C(=CC[C@H]2[C@@](C(=O)O)(C)[C@H](C1)O)[C@H]5[C@]([C@@H]([C@@H](CCC(=C)C(C)C)C)CC5)(C)C[C@H]4O)C3
Compound: Mabetaarigenin B
SMILES: O=C1[C@H](O)[C@@]2(C(=O)OC([C@@H]2O)=C)[C@H](C)CC1
Compound: 3a, 15a-diacetoxy-22a-hydroxylanosta-7,9(11),24-trien-26-oic acid
SMILES: O=C(O)/C(=C/C[C@@H](O)C([C@@H]1[C@@]2([C@@](C=3C([C@@]4(C(C([C@H](OC(=O)C)CC4)(C)C)CC3)C)=CC2)(C)[C@H](C1)OC(=O)C)C)C)/C
Compound: Thalabetaospiramide A
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)C(C)C)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Grabetaypeptolide B
SMILES: S1C2=N[C@@H](C1)C(=O)N[C@@H](C=3SC[C@H](N3)C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@H](C(O[C@H](C(N([C@H](C(N4[C@H](C(N([C@@H]2CC5=CC=CC=C5)C)=O)CCC4)=O)C(C)C)C)=O)CC6=CC=CC=C6)=O)C)C)[C@H](O)C)CC(C)C)C)C
Compound: di-O-demethylspirilloxanthin
SMILES: OC(C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/CC(O)(C)C)\C)\C)\C)/C)/C)/C)(C)C
Compound: Tryptoquialanine B
SMILES: O=C1N(C(=NC2=C1C=CC=C2)[C@@H](OC(=O)C)C)[C@H]3C(=O)O[C@@]4(C3)C5=C(C=CC=C5)N6[C@H]4N(O)[C@@H](C)C6=O
Compound: 3R,5R,6S,7E,9R-megastigman-7-en-3,5,6,9-tetrol-9-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside
SMILES: O1[C@@H](O[C@@H](/C=C/[C@@]2(O)[C@](O)(C[C@H](O)CC2(C)C)C)C)[C@H](O[C@@H]3OC[C@]([C@H]3O)(O)CO)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Guadinomine D
SMILES: O=C(N1C(=NC(C1)CC(O)C(O)CCC(N)C(NC(=O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C)N)N
Compound: Mabetaarilactone D
SMILES: O=C1O[C@@](O)(C)C2=C1[C@H](O)[C@@H](O)[C@@H](O2)/C=C/C
Compound: (aS)-asperpyrone A
SMILES: O=C1C(=C(OC)C2=C3OC(=CC(=C3C(=CC2=C1)O)O)C)C4=C5OC(=CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C
Compound: 2,5-Diisopropyl-pyrazine
SMILES: N1=C(C=NC(=C1)C(C)C)C(C)C
Compound: 7'-Hydroxyisoseiridin
SMILES: O=C1OCC(=C1C)C(O)CCCC(O)CC
Compound: Cyrneine D
SMILES: O=C1[C@]2([C@@H]([C@]3(O)C(=CC([C@]3(C)CC2)=O)C(C)C)CC=C(C1)C=O)C
Compound: Oblongolide D
SMILES: O=C1OC[C@@H]2[C@]1([C@@H]3[C@@H](C=C2)C[C@@](O)(C)CC3)C
Compound: Kigamicin B
SMILES: O=C1N2C(OCC2)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)C(OC8OC(C(OC9OC(C(O)CC9)C)CC8)C)CC7O)OC6C%10=C5C(OCO%10)CC4C3)C
Compound: Sch 725681
SMILES: OC1=CC(O)=CC(=C1)CC/C=C\C=C/CCC
Compound: Cytospolide I
SMILES: O=C1O[C@@H]([C@@H](O)CCC=C[C@H]([C@H]1C)O)CCC[C@@H](OC(=O)C)C
Compound: Pyrenochaetolide A
SMILES: O=C1O[C@H](C2=C(OC)C=CC=C2OC)C3=C1C=C(CO)C(=C3O)OC
Compound: Sansanmycin
SMILES: S(CCC(NC(=O)NC(C(=O)O)CC=1C2=C(C=CC=C2)NC1)C(=O)NC(C(=O)N/C=C\3/O[C@@H](N4C(=O)NC(=O)C=C4)[C@@H](C3)O)C(N(C(=O)C(N)CC5=CC(O)=CC=C5)C)C)C
Compound: Clostomicin D
SMILES: ClC1=C(O)C(Cl)=C(CC)C(=C1O)C(=O)C(O)C2C(O)C(OC)C(OCC=3C(=O)OC(C(=O)C)CC=C(C=C(C(OC4OC(C(OC(=O)C(C)C)C(C4O)O)(C)C)C(C=C(C(CC=CC3)O)C)CC)C)C)OC2C
Compound: Hypoxylonol A
SMILES: O=C1C2=C(O)C=CC=C2C3=C4C(O)C(OCC)CC=5C4=C(C3C1)C=CC5O
Compound: (2Z,4E,9E)-6,7,11-trihydroxy-3,7,11-trimethyl-1-(1H-pyrrol-2-yl)dodeca-2,4,9-trien-1-one
SMILES: O=C(C=1NC=CC1)\C=C(/C=C/C(O)C(O)(C/C=C/C(O)(C)C)C)\C
Compound: Neovasipyridone D
SMILES: O=C1C(C(=O)CC)=CN(CCC2=CC=CC=C2)C(C1(O)C)C(=CC(CC)C)C
Compound: Hirsutenol D
SMILES: O=C1C2=C([C@]3(C(C(=O)C[C@]3([C@@H]2O)O)=C)C)[C@@H](C1(C)C)O
Compound: Indimicin A
SMILES: ClC1=CC=2C=3C=4C(=CN(C4)C)[C@@]5(C=6C=C(Cl)C=CC6N([C@@H]5C3NC2C=C1)C)C
Compound: beta-(N(pros)-L-histidino)-L-tyrosine
SMILES: N[C@@H](Cc1cncn1[C@@H]([C@H](N)C(O)=O)c1ccc(O)cc1)C(O)=O
Compound: Abybetaomicin C
SMILES: O=C1C=2C(=O)O[C@@]34C2OC(C(O)C3C=CC([C@H](C[C@H]1C)C)=O)C(C)C4
Compound: Farinomalein
SMILES: O=C1N(C(=O)C=C1C(C)C)CCC(=O)O
Compound: Aestivophoenin A
SMILES: O=C(O[C@@H]1O[C@H](C(O)C(C1O)O)C)C2=C3NC4=C(C=C(C(=O)C5=CC=CC=C5)C=C4)N(C3=CC=C2)CC=C(C)C
Compound: 1-Hydroxy-4-methoxy-2-naphthoic acid
SMILES: O=C(O)C1=C(O)C=2C(=CC=CC2)C(=C1)OC
Compound: Squalestatin S2
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@H](C[C@H](CC)C)C
Compound: Methyl 24-methylene-3-oxolanost-8-en-26-oic ester
SMILES: O=C1C(C2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CCC(=C)C(C(=O)OC)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: CK13b
SMILES: O1C(O)([C@@H]([C@@H](O)[C@@H]([C@@H]1CC)C)C)CC
Compound: Chartarlactam M
SMILES: O=C1NCC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@@H]4C)C)C3
Compound: Pullularin A
SMILES: O=C1O[C@@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H](C(N([C@H]1C)C)=O)CC3=CC=C(OCC=C(C)C)C=C3)=O)[C@H](CC)C)C)CO)CCC2)CC4=CC=CC=C4
Compound: AM4299B
SMILES: O=C(O)[C@@H]1O[C@H]1C(=O)N[C@H](C(=O)NCCCC[C@H](N)C(=O)O)CC(C)C
Compound: Grincamycin
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H](C(=O)CC6)C)CC5)C)(C)C4)O)[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@H]([C@@H](O[C@@H]9O[C@H](C(=O)CC9)C)CC8)C)[C@@H](C7)O)C
Compound: JBIR-34
SMILES: ClC1=C(C(O)=C2C(C=3OC[C@@](N3)(C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)CO)C)C)=CN(C2=C1)C)C
Compound: methyl 8beta,9alpha-dihydroganoderate J
SMILES: O=C1C([C@H]2[C@]([C@H]3C(=O)C[C@@]4([C@@H]([C@@H](CC(=O)C[C@H](C(=O)OC)C)C)C[C@@H]([C@]4([C@@H]3C(C2)=O)C)O)C)(C)CC1)(C)C
Compound: Baumannoferrin B
SMILES: O=C1N(C(O)(C(=O)O)CC1)C(C(=O)O)CCNC(=O)CC(C(=O)O)C(=O)NCCCN(O)C(=O)CCCCCCCCC
Compound: (12RS)-(8E,10E)-12-hydroxy-7-oxo-8,10-octadecadienoic acid
SMILES: O=C(O)CCCCCC(=O)/C=C/C=C/[C@@H](O)CCCCCC
Compound: 7-Hydroxy-8,14-dimethyl-9-hexadecenoic A
SMILES: O=C(O)CCCCCC(O)C(/C=C\CCCC(CC)C)C
Compound: SB 212021
SMILES: O=C(OC)C=1C2=NC=3C(=C(C(=O)O)C=CC3)N=C2C=CC1O
Compound: Maytansinol-9-methyl ether-3-propionate
SMILES: ClC1=C(OC)C=C2CC(=CC=C[C@@H](OC)[C@]3(OC)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)C)=O)OC(=O)CC)(O4)C)C)C3)=O)C
Compound: Pestarhamnose C
SMILES: O1[C@@H](OC2=C(C(O)=CC(=C2)C)C)[C@H](O)[C@H](O)[C@H]([C@@H]1C)O
Compound: Vazabitide B
SMILES: O=C(O)C(NC(=O)[C@@H](N)C(C)C)C1NCC(O)C(C1)O