MonarchInit/C3PO huggingface dataset:
Compound: Penicibrocazine D
SMILES: S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@H]5[C@@H](O)CCC([C@H]5C2)=O)C
Compound: Penicimarin H
SMILES: O=C1O[C@@H](CC=2C1=C(OC)C=CC2O)CCCC(=O)C
Compound: Pafuranone A
SMILES: O=C1OC(=C([C@@H](CC=2O[C@@](/C=C/C=C/CC)(C)C(C2C(=O)O)=O)C)C3=C1C(=O)[C@](/C=C/C=C/CC)(C)O3)C
Compound: Hibarimicin G
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)[C@H](C%15)O)C)CC%14)C
Compound: Erythrazole B
SMILES: S1C2=C(C(O)=C(OC)C=C2N=C1C(=O)NCC(=O)O)C/C=C(/CC/C=C(/CC/C=C(/CCC/C(=C\CC(=O)O)/C)\C)\C)\C
Compound: Ganoderic acid AP3
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4([C@@H](O)C[C@@H]([C@]4(C1)C)C(O)(CC(=O)CC(C(=O)O)C)C)C
Compound: Gliocladride A
SMILES: O=C/1N(O)[C@H](C(=O)N\C1=C/C2=CC=C(OC/C=C(/CCC=C(C)C)\C)C=C2)C
Compound: Penicimarin I
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=CC2)CCC(=O)OC
Compound: Pafuranone B
SMILES: O=C1OC(=C([C@H](CC=2O[C@@](/C=C/C=C/CC)(C)C(C2C(=O)O)=O)C)C3=C1C(=O)[C@](/C=C/C=C/CC)(C)O3)C
Compound: Marinomycin D
SMILES: O=C1O[C@H](C[C@@H](O)CC=C[C@@H](O)C[C@@H](O)CC(=CC=CC=CC=CC2=C(C(=O)O[C@H](C[C@H](CC=C[C@H](C[C@H](CC(=CC=CC=CC=CC=3C1=C(O)C=CC3)C)O)O)O)C[C@H](O)C)C(O)=CC=C2)C)C[C@H](O)CC
Compound: Merocyclophane A
SMILES: OC1=C2C(O)=CC(=C1)[C@@H](CCCCC[C@@H](C3=C(C=C([C@@H](CCCCC[C@@H]2CCCC)C)C=C3O)O)CCCC)C
Compound: Bistachybotrysin D
SMILES: O=C1C2=C(C=3O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)CC3C(=C2)O)[C@@H]([C@H]1C6=C(C=C(O)C7=C6O[C@]8([C@@]9([C@H](C([C@H](O)CC9)(C)C)CC[C@H]8C)C)C7)CO)OC
Compound: Hygrobafilomycin
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1C)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)OC(=O)/C=C/C=3C(=O)OC(C3)=O)C(C)C)O)C)C
Compound: Drimentine G
SMILES: O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(C[C@H]5C(=C)CC[C@@H]6[C@@]5(CCCC6(C)C)C)C[C@H]2C(=O)N[C@H]1C(C)C
Compound: N-1S-(4-methylaminophenylmethyl)-2-oxo-propyl acetamide
SMILES: O=C(N[C@H](C(=O)C)CC1=CC=C(NC)C=C1)C
Compound: Colobetaolactone IV
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@]([C@@H]([C@@H]([C@@H]5OC(=O)C(C)=CC5)C)CC4)(C)CCC3C[C@]2(CC1)O)C)(C)C
Compound: (1R,2S,4R,5R,8R,9S,11S)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-5-methoxy-6-methyl-4-[(2E,4Z)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
SMILES: O=C(O[C@@H]1[C@H](OC)[C@H](O[C@H]([C@H]1O)OC[C@]23[C@@]4(C(C(C)C)=C[C@@H]2C[C@]4(C=O)[C@@H]5CC[C@H]([C@H]5C3)C)C(=O)O)C)/C(=C/C=C\C)/C
Compound: (-)-applanatumol F
SMILES: O=C1OC[C@@]2([C@]1(CC[C@H]2O)CC(=O)C3=C(O)C=CC(=C3)O)C(OC)OC
Compound: 2-acetylamino-3-hydroxyl-4-methyl-benzoic acid methyl ester
SMILES: O=C(OC)C1=C(NC(=O)C)C(O)=C(C)C=C1
Compound: Dimericbiscognienyne B
SMILES: O1[C@]2(O)[C@]3(C#CC(=C)C)[C@H](C=C(C)C[C@@H]3[C@@H](O)[C@H]4[C@@]2(O4)CC=C(C)C)C=5[C@@H]1[C@@](O)(C[C@@H](C5)O)CC=C(C)C
Compound: Drimentine F
SMILES: O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(C[C@H]5C(=C)CC[C@@H]6[C@@]5(CCCC6(C)C)C)C[C@H]2C(=O)N([C@H]1C(C)C)C
Compound: Cylindrocyclophane C4
SMILES: ClC(Cl)CCC[C@@H]1C2=C(O)C=C([C@H](O)[C@H](CCCC[C@H](CCCC(Cl)Cl)C3=C(C=C(C[C@H](CCCC1)C)C=C3O)O)C)C=C2O
Compound: Dretamycin
SMILES: O=C(N)C1=CN(O)[C@@H](C1)C(=O)O
Compound: L-alaninamide
SMILES: C[C@H](N)C(N)=O
Compound: Lambertellol A
SMILES: O=C1C2=C(O)C=CC=C2[C@H](O)[C@@]3(C1)OC(=O)C(=C3)C
Compound: Indotertine A
SMILES: O=C1N([C@H](C(=O)NC1C[C@@]23C4=C(C=CC=C4)N[C@@H]2C=C5CC[C@@H]6[C@@]([C@H]5C3)(CCCC6(C)C)C)C(C)C)C
Compound: 3-hydroxy-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2-dimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione (MDN-0170)
SMILES: Cl[C@@H]1C([C@@H]([C@](O)(C)CC1)C[C@@]23OC([C@@H](O)C=C2C(=O)C4=C(C3=O)C=C(O)C=C4O)(C)C)(C)C
Compound: Dimericbiscognienyne C
SMILES: O=C1C=C2[C@@H](O[C@@]3(O)[C@]4(O[C@H]4[C@@H]([C@@H]5[C@]3([C@@H]2C=C(C5)C)C#CC(=C)C)O)CC=C(C)C)[C@](C1)(O)CC=C(C)C
Compound: Rickenyl C
SMILES: O(C1=C(O)C(=C(O)C(=C1C2=CC=C(OC)C=C2)OC)C3=CC=C(OC)C=C3)C
Compound: Neoverrucosan-5beta,9beta-diol-4-carboxaldehyde
SMILES: O=C[C@@]12[C@H](O)C[C@@]3(C[C@H](O)[C@@]4([C@@H]([C@H]3[C@@H]1C2)[C@H](C(C)C)CC4)C)C
Compound: Palmarumycin C9
SMILES: O=C1C=CC(=O)C23C1(O2)C(=O)C4OC4C35OC=6C=7C(C=CC6)=CC=CC7O5
Compound: Sorangiadenosine
SMILES: O1[C@@H](N2C3=NC=NC(=C3N=C2)N[C@]4([C@H]5[C@@](CC[C@H](C5)C(=C)C)(CCC4)C)C)[C@H](O)[C@@H]([C@H]1CO)O
Compound: Biscogniauxone
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C=3C1=CNC3
Compound: 13beta-hydroxy conidiogenone C
SMILES: O=C1C=C[C@H](C)[C@]23[C@]1(CC[C@H]2[C@@H]4[C@]([C@@H](O)C[C@@]4(C3)C)(CO)C)C
Compound: Panclicin B
SMILES: O=C1O[C@@H](C[C@@H](OC(=O)[C@@H](NC=O)C)CCCCCCC)[C@@H]1CCCCCCCCCC
Compound: 3-acetyl-5-methyl-2′-deoxyuridine
SMILES: O=C1N(C(=O)C(C)=CN1[C@@H]2O[C@H](CO)[C@H](C2)O)C(=O)C
Compound: Aulosirazole
SMILES: S1N=C(OC)C2=C1C(=O)C3=C(C(O)=CC=C3)C2=O
Compound: Nonaprenoxanthin
SMILES: OC/C(=C/CC1C(C(C(C)=CC1)/C=C/C(=C/C=C/C(=C/C=C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)(C)C)/C
Compound: 7,13-epoxylmacrolactin A
SMILES: O=C1O[C@H](CCCC=CC=C[C@H](O)C[C@H]2O[C@@H](CC=CC=C1)C=CC=CC2)C
Compound: 12beta-hydroxy conidiogenone C
SMILES: O=C1C=C[C@H](C)[C@]23[C@]1(CC[C@H]2[C@@H]4[C@](C[C@H]([C@@]4(C3)C)O)(CO)C)C
Compound: 24-methyl-lanost-8,24-dien-23S,26-lactone
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](C[C@@H]5OC(=O)C(=C5C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Phomopsichin A
SMILES: O=C1C2=C(OC3=C1[C@@H](O[C@H](C3)C)OC)C=C(O)C=C2C(=O)OC
Compound: (3beta,4alpha,5alpha)-4-Methylcholest-8-en-3-OL
SMILES: O[C@@H]1[C@H]([C@H]2[C@](C3=C(C4[C@]([C@@H]([C@@H](CCCC(C)C)C)CC4)(C)CC3)CC2)(C)CC1)C
Compound: (E)-6-Chloro-10,11-dehydrocurvularin
SMILES: ClC1=C(O)C=2C(=O)C=CCCC[C@@H](OC(CC2C=C1O)=O)C
Compound: 12beta-hydroxy conidiogenone D
SMILES: O=C1C=C[C@H](C)[C@]23[C@]1(CC[C@H]2[C@@H]4[C@@](C[C@H]([C@@]4(C3)C)O)(CO)C)C
Compound: (3S)-6-hydroxy-8-methoxy-3-methyl-3,4-dihydroisocoumarin
SMILES: O=C1O[C@H](CC=2C1=C(OC)C=C(O)C2)C
Compound: Phomopsichin B
SMILES: O=C1C2=C(OC3=C1[C@H](O[C@@H](C3)C)OC)C(O)=C(OC)C=C2C(=O)OC
Compound: (3beta,4alpha,5alpha)-4-Methylcholesta-8(14),24-dien-3-OL
SMILES: O[C@@H]1[C@H]([C@H]2[C@](C3C(=C4[C@]([C@@H]([C@@H](CCC=C(C)C)C)CC4)(C)CC3)CC2)(C)CC1)C
Compound: Asporyzin B
SMILES: O=C1N2C3=C(C=CC=C3)C2(O)C[C@H]4[C@]1([C@@]5([C@H]([C@]6([C@@H](O[C@H](C6)C=C(C)C)CC5)C)CC4)C)C
Compound: Aspergisocoumrin A
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2)/C=C/C(=O)OC
Compound: (2R,5S,10R)-2-(1′,2′-dihydroxy-1′-methylethyl)-6,10-dimethyl-spiro[4,5]dec-6-en-8-one
SMILES: O=C1C=C([C@@]2(CC(C(O)(CO)C)CC2)[C@@H](C1)C)C
Compound: Peniciginseng A
SMILES: O=C(OO)CCCCCC[C@H](O)/C=C\C/C=C\CCCCC
Compound: Chenopodolin
SMILES: O=C1C=C2[C@@H](C[C@H](OC(=O)C)[C@@](C2)(C=C)C)[C@]3([C@H]1[C@@]4(C(=O)O[C@H]([C@H]3OC(=O)C)[C@H]4O)C)C
Compound: Phenazoviridin
SMILES: O=C(O[C@@H]1O[C@H]([C@@H](O)[C@H]([C@H]1O)O)C)C=2C3=NC=4C(=C(C=CC4)CC=C(C)C)N=C3C=CC2
Compound: (3beta,4alpha,5alpha)-4,4-Dimethylcholest-8-en-3-OL
SMILES: O[C@@H]1C([C@H]2[C@](C3=C(C4[C@]([C@@H]([C@@H](CCCC(C)C)C)CC4)(C)CC3)CC2)(C)CC1)(C)C
Compound: Phomactin G
SMILES: O1C2(O)C=3CC[C@H]([C@@](C3C1)(CCC(C)=CCC[C@]4([C@@H]2O4)C)C)C
Compound: Aspergisocoumrin B
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2)/C=C\C(=O)OC
Compound: Phomopsichin C
SMILES: O=C1C2=C(OC3=C1CO[C@@H](C3)C)C(O)=C(OC)C=C2C(=O)OC
Compound: Cochliobolic acid
SMILES: O=C(C(=O)/C=C/C(CC)C)/C=C/C=C/C=C/C=C/C=C/C=C/C1OC(C(=O)O)C(C1)O
Compound: Phomopsichin D
SMILES: O=C1C2=C(OC(=C1CO)C[C@@H](O)C)C=C(O)C=C2C(=O)OC
Compound: N-desmethyl 12-hydroxy pretubulysinD
SMILES: S1C(=NC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H](C(=O)O)C)C[C@@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3N(CCCC3)C)[C@H](CC)C)C(C)C
Compound: Macrosphelide B
SMILES: O=C1OC(C(O)C=CC(=O)OC(C)CC(OC(C(C=C1)=O)C)=O)C
Compound: (3beta,4alpha,5alpha)-4,4-Dimethylcholesta-8(14),24-dien-3-OL
SMILES: O[C@@H]1C([C@H]2[C@](C3C(=C4[C@]([C@@H]([C@@H](CCC=C(C)C)C)CC4)(C)CC3)CC2)(C)CC1)(C)C
Compound: Aspergisocoumrin C
SMILES: O=C1OC(=CC=2C1=C(O)C=C(OC)C2)CCC(=O)OC
Compound: Bombardolide B
SMILES: O=C1O/C(=C\CC)/C=C1CCCO
Compound: Roseobacticide K
SMILES: S(SC=1C=C2OC(=O)C(=C2C=CC1)C3=CC=CC=C3)C=4C=C5OC(=O)C(=C5C=CC4)C6=CC=C(O)C=C6
Compound: 14-O-(N-Acetylglucosaminyl)teleocidin A
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1C(C)C)C)C=CC3[C@@](C=C)(CCC=C(C)C)C)COC4OC(C(O)C(C4NC(=O)C)O)CO
Compound: 7-deoxy-sedoheptulose
SMILES: O1C(O)(C(O)C(C1C(O)C)O)CO
Compound: Botryosphaerin A
SMILES: O=C1OC(=CC=2C1=C(O)C(O)=C(OC)C2)C[C@@H](O)C
Compound: 1,4,7-trihydroxy-6-methylxanthone
SMILES: O=C1C2=C(OC3=C1C=C(O)C(=C3)C)C(O)=CC=C2O
Compound: Cyphomycin
SMILES: O=C1OC(C(C=CC(O)CCCC(O)CC(O)CC(O)CC2OC(C(C(C(CCC(CCCC(CC(C(C=C1)C)O)O)O)C)O)=O)(O)CC(C2)O)C)C(C(O)C(C(O)C(C(OC3OC(C(OC4OC(C(OC(=O)C(C(O)C5=CC=6C(=O)C=C(C)C(C6C=C5)=O)C)CC4)C)C(C3)(O)C)C)CC)C)C)C
Compound: Phellinusfuran B
SMILES: O=C1/C(=C\C=2OC(CO)=CC2)/[C@@H](C(O)CO)O[C@@H]1OC
Compound: Ergosta-7,22-dien-3beta-yl palmitate
SMILES: O=C(O[C@@H]1CC2[C@](C3C(C4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC4)(C)CC3)=CC2)(C)CC1)CCCCCCCCCCCCCCC
Compound: 1,8-dihydroxy-2-(1-hydroxyethyl)-6-methoxy-3-methylanthraquinone
SMILES: O=C1C2=C(O)C(=C(C)C=C2C(=O)C=3C1=C(O)C=C(OC)C3)[C@@H](O)C
Compound: 2,2',3,5'-tetrahydroxy-3'-methylbenzophenone
SMILES: O=C(C1=C(O)C(=CC(=C1)O)C)C2=C(O)C(O)=CC=C2
Compound: Platencin A15
SMILES: O=C1C=CC23C(O)C(=C)C(CC2C1(CCC(=O)NC4=C(O)C(C(=O)O)=CC=C4OC5OC(C(O)C(C5O)O)CO)C)CC3
Compound: Punctaporonin P
SMILES: O=C1[C@@]2(O)C(C[C@@H]2C(=C[C@@H](C=C(C1)C)OC)CO)(C)C
Compound: 2,2',5'-trihydroxy-3-methoxy-3'-methylbenzophenone
SMILES: O=C(C1=C(O)C(=CC(=C1)O)C)C2=C(O)C(OC)=CC=C2
Compound: Africantriol
SMILES: O[C@]12[C@H]([C@]3([C@H](C3)[C@H](C(C1)(C)C)O)C)C[C@H]([C@H]2C)O
Compound: Mutanocyclin
SMILES: O=C1N[C@H](CC(C)C)C(=C1C(=O)C)O
Compound: Demethyl-harzianic acid
SMILES: O=C\1NC(CC(O)(C(=O)O)C(C)C)C(/C1=C(\O)/C=C/C=C/CCC)=O
Compound: Platencin A14
SMILES: O=C1C=CC23C(O)CC(CC2C1(CCC(=O)NC4=C(O)C(C(=O)O)=CC=C4OC5OC(C(O)C(C5O)O)CO)C)C(C3)=C
Compound: Versisponic acid C
SMILES: O=C1C(C2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)C[C@@H]4OC(=O)C)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Trichorin B
SMILES: O=C(OC1=C(OC)C(OC)=CC=C1C=C(C)C)C
Compound: Cytoglobosin H
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)(O)C)CC=4C5=C(C=CC=C5)NC4)C)C
Compound: FL-120-C
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=[N+]=[N-])C=4[C@@H](OC(=O)C(C)C)[C@](O)(C)[C@@H]([C@H](C34)O)OC(=O)C
Compound: Omnipeptin
SMILES: ClC1=CC=2NC=C(C2C=C1)C[C@@H]3NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](N)C(=O)O)C(O)C4=CC=C(O)C=C4)CO)CCC(=O)O)C(O)C)COC(=O)[C@H]5N(C([C@@H](NC([C@H](NC3=O)C(C)C)=O)CC6=CC=CC=C6)=O)CC(C)C5O)C(C(=O)N)C
Compound: Platencin A13
SMILES: O=C1C(C2C3(CC(=C)C(C2)CC3)CC1)(CCC(=O)NC4=C(O)C(C(=O)O)=CC=C4OC5OC(C(O)C(C5O)O)CO)C
Compound: 2beta-Methyldiplopterol
SMILES: OC([C@@H]1C2[C@](C3[C@@]([C@]4(C([C@@]5(C(C(C[C@H](C5)C)(C)C)CC4)C)CC3)C)(C)CC2)(C)CC1)(C)C
Compound: Nocardichelin A
SMILES: O=C(N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)[C@H]1N=C(C2=C(O)C=CC=C2)OC1)/C=C\CCCCCCCCCCCCC
Compound: Cytoglobosin I
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)(O)C)CC=4C5=C(C=CC=C5)NC4)C)C
Compound: Koreenceine C
SMILES: O[C@H](CC1=NCCCC1)CCCCCCC
Compound: Aspernolide E
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC3=C(OC(C)(C)C=C3)C=C2)C(=C1O)C4=CC=C(O)C=C4
Compound: Platencin A12
SMILES: O=C1C=CC23CC(=C)C(CC2C1(CCC(=O)NC4=C(O)C(C(=O)O)=CC=C4OC5OC(C(O)C(C5O)O)CO)C)CC3
Compound: Petromurin C
SMILES: O(C1=C(OC)C(=C(OC)C(=C1C=2C3=C(C=CC(=C3)O)NC2)OC)C=4C5=C(C=CC=C5)NC4)C
Compound: Sch 58771
SMILES: ClC1=C(OC)C(=C(C)C=C1O)C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H]([C@H](OC)[C@](C3)([N+](=O)[O-])C)C)C[C@H](O[C@H]4[C@H](O)C[C@@]5(O[C@@]6([C@H](O)[C@H](O[C@H]7[C@@H](OC)[C@H](O[C@H]([C@@H]7O)O[C@H]8[C@H](O)[C@H](OC)[C@H](O[C@@H]9OC[C@@H]%10O[C@]%11(O[C@H]%10[C@H]9O)OC[C@@H](OC(=O)C%12=C(O)C=C(O)C=C%12C)[C@H]%13[C@H]%11OCO%13)O[C@@H]8COC)C)O[C@@H]([C@H]6O5)C)C)O[C@@H]4C)O[C@@H]2C
Compound: Koreenceine A
SMILES: N1=C(/C=C/CCCCCCC)CCCC1
Compound: Trichoderin B
SMILES: O=C(NC(C(=O)N[C@H](CN(CCO)C)C)(C)C)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](CCCCCCCC)C)CCC1)C[C@@H](C[C@H](O)CC(=O)CC)C)(C)C)(C)C)C(C)C)C(C)C)(C)C
Compound: Trichophycin A
SMILES: ClC=C(CC1=CC=CC=C1)CC(O)CCC(CC(C(O)CCCCC(C(O)CC=C)C)C)C
Compound: Albaflavenol B
SMILES: O[C@H]1C2=C(C([C@@H]3C[C@]2(CC3)[C@H](C1)C)(C)C)CO
Compound: Thiomuracin H
SMILES: S1C2=NC(=C1C)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C(=O)N[C@@H]([C@H](CCO)C)C4=NC(C5=NC(C6=C(C7=NC(C(N[C@H]2CC(=O)N)=O)=CS7)C=CC(=N6)C=8SC=C(N8)C(=O)NC(C(=O)NC(C(=O)O)=C)=C)=CS5)=CS4)CC9=CC=C(O)C=C9)[C@H](O)C%10=CC=CC=C%10
Compound: 11'-[2-amino-3-(4"-O-methyl-alpha-rhamnopyranosyloxy)phenyl]undecanoic acid
SMILES: O=C(O)CCCCCCCCCCC1=C(N)C(OC2OC(C(OC)C(C2O)O)C)=CC=C1
Compound: Koreenceine B
SMILES: N1=C(CCCC1)CCCCCCCCC
Compound: RK-270A
SMILES: O=C1NC=2C=C(CC=C(C)C)C=CC2C1=C(C)C
Compound: Brevianamide P
SMILES: O=C1N2C(=NC3=C1C=CC=CO3)[C@H](NC([C@@H]2CC4=CC=CC=C4)=O)C(CC)C
Compound: Penicipyran A
SMILES: O=C1OC(C2=C(O)C=CC=C2C)=CC(=C1C)O
Compound: Isoprekinamycin
SMILES: O=C1C(=[N+]=[N-])C2=C(C(O)=CC(=C2)C)C3=C1C4=C(O)C=CC=C4C3=O
Compound: Cytochalazin Z2
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=CC[C@H](C)CCC[C@H](C=C1)O)CO)CC4=CC=CC=C4
Compound: Koreenceine D
SMILES: ClCCCCNC(=O)C[C@H](O)CCCCCCC
Compound: Bioxanthracene 7
SMILES: O1[C@H]([C@H](O)C2=C(C=3C=4C(C(O)=C5C3[C@H](O)[C@H](C)OC5)=C(OC)C=C(C4)OC)C6=CC(OC)=CC(=C6C(=C2C1)O)OC)C
Compound: RK-270B
SMILES: O=C1NC=2C=C(C[C@@H](O)C(O)(C)C)C=CC2C1=C(C)C
Compound: Penicipyran B
SMILES: O=C1OC(C2=C(O)C=C(O)C=C2C)=CC(=C1C)O
Compound: Coniolactone
SMILES: O=C1OC=2C(O)=CC(=C3C2C1=C(O)C=C3OCC=C(C)C)C
Compound: Ganoleuconin F
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@]3(CO)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@H]1OC(=O)C)C)[C@@H](CC/C=C(/C(=O)O)\C)C)C
Compound: L-arabinaric acid
SMILES: [H][C@](O)(C(O)=O)C([H])(O)[C@@]([H])(O)C(O)=O
Compound: Leepeptin
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)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)NC(C(=O)O)[C@H](O)C)CC=2C3=C(C=CC=C3)NC2)CC4=CC=C(O)C=C4)CC(=O)O)CC5=CC=CC=C5)CC=6NC=NC6)CC=7C8=C(C=CC=C8)NC7)CC(=O)N)[C@H](CC)C)CCC(=O)O)CCC(N[C@H](C(N[C@H](C(NCC(N[C@H]1C(C)C)=O)=O)CC9=CC=C(O)C=C9)=O)CC(C)C)=O)CC(=O)O)CC(=O)N)CCCNC(=N)N
Compound: Ganoderic acid Jc
SMILES: O=C1C(C2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC(O)C=C(C(=O)O)C)C)C[C@@H]4O)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Penicipyran C
SMILES: O=C1OC(C(=O)O)=CC=2C1=C(O)C(=C(O)C2)C
Compound: RK-270C
SMILES: O=C1NC=2C=C(C/C=C(/C(=O)N)\C)C=CC2C1=C(C)C
Compound: Talaroketal B
SMILES: O=C1O[C@@H]2C3=C(O[C@@H]4[C@H]2[C@H](CO4)C)[C@@H]5[C@@]67C=8C(C(=O)OC6)=C(O)C=C(C8C([C@H]([C@@]5(C=9C3=C1C(O)=CC9C)OC)[C@@H]7OC(=O)C)=O)C
Compound: [(3S)-1-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxodecan-3-yl] (2R)-6-[ormyl(hydroxy)amino]-2-[[2-(2-hydroxy-5-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate
SMILES: O=C1N(O)CCCC[C@@H]1NC(=O)C([C@@H](OC(=O)[C@H](NC(=O)C=2N=C(C3=C(O)C=CC(=C3)OC)OC2C)CCCCN(O)C=O)CCCCCCC)(C)C
Compound: 16-demethylrifamycin S
SMILES: O=C1NC=2C(=O)C3=C(O)C(=C4O[C@@](C(C4=C3C(C2)=O)=O)(OC=C[C@H](OC)[C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C1)C)O)C)O)C)OC(=O)C)C)C)C
Compound: 5-prenyltryptophol
SMILES: OCCC=1C2=C(C=CC(=C2)CC=C(C)C)NC1
Compound: Penicipyran D
SMILES: O=C1OC(=CC=2C1=C(O)C(=C(O)C2)C)C[C@H](O)C[C@@H](O)C
Compound: (3R,4S)-6,8-Dihydroxy-3,4,5,7-tetramethylisochroman
SMILES: O1[C@@H]([C@H](C=2C(=C(O)C(=C(C2C1)O)C)C)C)C
Compound: Fomitellic acid B
SMILES: O=C1C2=C([C@]3([C@H](O)C[C@H](C([C@@H]3C1)(C(=O)O)C)O)C)CC[C@]4([C@]2(CC[C@@H]4C(CCC=C(C)C)C)C)C
Compound: Vulculic acid
SMILES: O=C(O)CC1=C(C(O)=C(O)C(=C1)OC)C(=O)C
Compound: Penicipyran E
SMILES: O=CC1=C(O)C(=C(O)C=C1C=C2O[C@H](CC=C2)C)C
Compound: 16-demethylrifamycin W hemiacetal
SMILES: O=C1C(=C[C@@H]2C(O[C@H]([C@H]([C@@H](O)[C@@H]([C@@H](O)[C@@H](C)C=CC=CC(NC=3C(C4=C(C1=C(O)C(=C4O)C)C(=O)C3)=O)=O)C)C)[C@H]([C@H]2O)C)O)C
Compound: Lentztrehalose C
SMILES: O1[C@H]2[C@H](OC[C@@H]1C(O)(C)C)[C@H](O[C@@H]([C@@H]2O)O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)CO
Compound: Malleobactin A
SMILES: O=[N+]([O-])CCC[C@H](NC=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCCN)CCCN(O)C=O)CO)[C@@H](O)C(=O)O
Compound: Trichalasin H
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3[C@H]4[C@@]5(CC[C@@H]([C@H]([C@H]4C1)O5)O)C)C)CC(C)C
Compound: 7, 9-dihydroxy-10-methyl-2H, 4aH, 6H, 10bH-pyrano[5,6-c][2]ben-zopyran-2, 6-dione
SMILES: O=C1O[C@H]2C=CC(=O)O[C@H]2C=3C1=C(O)C=C(O)C3C
Compound: Lentztrehalose B
SMILES: O1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)OCC=C(C)C
Compound: 16-demethyl-34a-dehydroxy rifamycin W
SMILES: O=C1C(=CC([C@H](O)[C@H]([C@@H](O)[C@@H]([C@H](O)[C@@H]([C@@H](O)[C@@H](C)C=CC=CC(NC=2C(C3=C(C1=C(O)C(=C3O)C)C(=O)C2)=O)=O)C)C)C)C)C
Compound: N-(4'-hydroxyprenyl)-cyclo(alanyltryptophyl)
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)N(C2)C/C=C(/CO)\C)C
Compound: Salinosporamide H
SMILES: O=C1N[C@]2(C(=O)O[C@]2([C@@H]1CC)C)[C@@H](O)[C@@H]3C=CCCC3
Compound: Trans-homojesterone
SMILES: O=C1C(=C([C@@H](O)[C@H]2[C@@]1(O2)CC=C(C)C)CO)/C=C/C=C/C
Compound: methyl ganosinensate 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)OC)C)C)[C@H](C2)O)C)(C)C
Compound: Prenylated flavin mononucleotide
SMILES: P(=O)(OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C=2NC(=O)NC(C2[N+]3=CCC(C=4C3=C1C=C(C)C4C)(C)C)=O)(O)O
Compound: 16-demethylrifamycin W
SMILES: O=C1C(=CC([C@H](O)[C@H]([C@@H](O)[C@@H]([C@H](O)[C@@H]([C@@H](O)[C@@H](C)C=CC=CC(NC=2C(C3=C(C1=C(O)C(=C3O)C)C(=O)C2)=O)=O)C)C)C)CO)C
Compound: Isovariecolorin I
SMILES: O=C/1N[C@@](OC)(C(=O)N\C1=C/C=2C3=C(C=C(CC=C(C)C)C=C3)NC2C(C=C)(C)C)C
Compound: Mycelianamide
SMILES: O=C/1N(O)[C@H](C(=O)N(\C1=C\C2=CC=C(OC/C=C(/CCC=C(C)C)\C)C=C2)O)C
Compound: Decarboxystenosporic acid
SMILES: O=C(OC1=CC(O)=CC(=C1)CCCCC)C2=C(O)C=C(OC)C=C2CCC
Compound: Miliacin
SMILES: O([C@@H]1C(C2[C@](C3[C@@](C4(C(C5=CC(CC[C@]5(C)CC4)(C)C)CC3)C)(C)CC2)(C)CC1)(C)C)C
Compound: ComXRO-E-2 pheromone
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC(=O)O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)[C@H](CC)C)CC2=CC=CC=C2)[C@H]3NC=4C=CC=CC4[C@]3(C1)C/C=C(/CCC=C(C)C)\C
Compound: 30-hydroxyechinulin
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C(=CC(=C3)CC=C(C)C)C/C=C(\CO)/C)NC2C(C=C)(C)C)C
Compound: Botryolide D
SMILES: O=C1O[C@@H](C[C@H](O)C(=O)CCC(C1)O)C
Compound: Ananatoside A
SMILES: O=C1O[C@@H](CC(=O)OC[C@H]2O[C@@H](O[C@@H](C1)CCCCCCC)[C@H](O)[C@@H](O)[C@@H]2O)CCCCCCC
Compound: 2-methylelaiophylin
SMILES: O=C1O[C@@H]([C@H](C=CC=CC(=O)O[C@@H]([C@H](C=CC=C1C)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)O)C)C
Compound: HA-2-91
SMILES: O=C1OC(CC=CC=CC=CC=CC(O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)N)C)CC3OC(CC(CC(CC(CC(C1C)O)O)O)O)(O)CC(O)C3C(=O)O)CCCC
Compound: Ilamycin B2
SMILES: O=[N+]([O-])C1=C(O)C=CC(=C1)C[C@@H]2NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC2=O)C)=O)C)CC(C)C)=O)CC(C)C)=O)C/C=C/C)CC=3C4=C(C=CC=C4)N(C3)C([C@@H]5OC5)(C)C)C)CC(C)C
Compound: 29-hydroxyechinulin
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C(=CC(=C3)CC=C(C)C)C/C=C(/CO)\C)NC2C(C=C)(C)C)C
Compound: Chartarlactam K
SMILES: O=C1NCC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](OC(=O)C)[C@@H](C5)O)(C)C)CC[C@H]4C)C)C3
Compound: Citreohybriddione A
SMILES: O=C1O[C@H]2C[C@]3(C([C@]14C2C([C@@H](OC(=O)C)CC4)(C)C)C=C([C@]5(C(=O)[C@@](C([C@@]35C(=O)OC)=O)(O)C)C)C)C
Compound: Spirostaphylotrichin M diacetat (4R*,5S)
SMILES: O=C1N(OC)C(=C)[C@@H]([C@@]12C3OC([C@H]2/C=C/C)C=C3OC(=O)C)OC(=O)C
Compound: Bipolarin A
SMILES: O=C1C(=C2C(=O)C=C([C@H]2C[C@@]3([C@@H](C1)[C@]4(O[C@@H](/C=C(/CO)\C)C[C@@H]4C)CC3)C)C)CO
Compound: Ilamycin C1
SMILES: O=[N+]([O-])C1=C(O)C=CC(=C1)C[C@@H]2NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](N3C([C@@H](N(C([C@@H](NC2=O)C)=O)C)C[C@H](C)[C@H]3O)=O)CC(C)C)=O)C/C=C/C)CC=4C5=C(C=CC=C5)N(C4)C([C@@H]6OC6)(C)C)C)CC(C)C
Compound: Microsphaeropsisin B
SMILES: O=C1C=CC2=C[C@@]3(OC[C@@H]([C@@]3(C[C@@]2([C@@H]1C)C)O)C)O
Compound: POH 3
SMILES: SCC(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C3N(C(=O)C(NC(=O)C(N)[C@H](O)C)CC(=O)N)CCC3)CCC2)C)CCC1)[C@H](O)C)C(=O)NC(C(=O)NC(C(=O)N)[C@@H](O)C)[C@H](O)C
Compound: Shengjimycin C1
SMILES: O=C1OC(CC=CC=CC(OC2OC(C(N(C)C)CC2)C)C(CC(C(C(C(C1)OC(=O)CC)OC)OC3OC(C(OC4OC(C(OC(=O)C)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: Bipolarin B
SMILES: O=C1C=C(C)[C@@H]2[C@@H]1C(=CC[C@H]3[C@]4(O[C@@H](/C=C(/CC(=O)O)\C)C[C@@H]4C)CC[C@@]3(C2)C)CO
Compound: Phomapyrone E
SMILES: O=C1OC(/C(=C/[C@@H](C(=O)C)C)/C)=CC(=C1C)OC
Compound: Ilamycin C2
SMILES: O=[N+]([O-])C1=C(O)C=CC(=C1)C[C@@H]2NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](N3C([C@@H](N(C([C@@H](NC2=O)C)=O)C)C[C@H](C)[C@@H]3O)=O)CC(C)C)=O)C/C=C/C)CC=4C5=C(C=CC=C5)N(C4)C([C@@H]6OC6)(C)C)C)CC(C)C
Compound: Microsphaeropsisin C
SMILES: O=C1C=CC2=C[C@@]3(OC[C@@H]([C@@]3(C[C@@]2([C@H]1C)C)O)C)O
Compound: 7-deoxybotrylactone
SMILES: O=C1O[C@]2(O[C@@H]([C@H]1C)[C@@]3(C[C@@H](C[C@]2(O3)C)C)C)C
Compound: Hydroisoflavone B
SMILES: O=C1C2=C(OC=C1[C@@]3(O)C[C@@H](O)[C@H](O)CC3)C=C(O)C=C2O
Compound: Bipolarin C
SMILES: O=C1C=C(C)[C@@H]2[C@@H]1C(=C[C@H](O)[C@H]3[C@]4(O[C@@H](C=C(C)C)C[C@@H]4C)CC[C@@]3(C2)C)CO
Compound: Hunanamycin A
SMILES: O=C1N2C3=C(C=C(C)C(=C3C(C)(C)CC2)C)N(C1=O)C[C@H](O)[C@H](O)[C@H](O)CO
Compound: Ilaymycin D
SMILES: O=[N+]([O-])C1=C(O)C=CC(=C1)C[C@@H]2NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC2=O)C)=O)C)C[C@@H](C(=O)O)C)=O)CC(C)C)=O)C/C=C/C)CC=3C4=C(C=CC=C4)N(C3)C([C@@H]5OC5)(C)C)C)CC(C)C
Compound: Sansanmycin C
SMILES: S(=O)(CCC(NC(=O)NC(C(=O)O)CC=1C2=C(C=CC=C2)NC1)C(=O)NC(C(=O)N/C=C\3/OC(N4C(=O)NC(=O)C=C4)C(C3)O)C(N(C(=O)C(N)CC5=CC(O)=CC=C5)C)C)C
Compound: (3R, 7R)-7-hydroxy-de-O-methyllasiodiplodin
SMILES: O=C1O[C@@H](CCC[C@H](O)CCCC=2C1=C(O)C=C(O)C2)C
Compound: Bipolarin D
SMILES: O=C1[C@H]2C(C(=O)O)=CC[C@H]3[C@]4(O[C@@H](C=C(C)C)C[C@@H]4C)CC[C@@]3(C[C@@H]2[C@@](C1)(O)C)C
Compound: Virgineone
SMILES: O=C1NC(CC2=CC=C(O)C=C2)C(C1=C(O)C(CCCCCCCCC(=O)CCCCCCCCCC(O)CO[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)C)=O
Compound: Efrapeptin J
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CN2C3=[N+](CCC2)CCC3)CC(C)C)(C)C)CC(C)C)C)(C)C)CCCC1)C(NC(=O)C(NC(=O)CNC(=O)CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4N(C(=O)C(NC(=O)C5N(C(=O)C)CCCC5)(C)C)CCCC4)(C)C)(C)C)CC(C)C)(C)C)(C)C
Compound: Ilamycin E1
SMILES: O=[N+]([O-])C1=C(O)C=CC(=C1)C[C@@H]2NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](N3C([C@@H](N(C([C@@H](NC2=O)C)=O)C)C[C@H](C)[C@H]3O)=O)CC(C)C)=O)C/C=C/C)CC=4C5=C(C=CC=C5)N(C4)C(C=C)(C)C)C)CC(C)C
Compound: Tyrostatin
SMILES: O=C(N[C@H](C(=O)N[C@H](C=O)CC1=CC=C(O)C=C1)CC(C)C)[C@@H](NC(=O)CC(C)C)CC2=CC=C(O)C=C2
Compound: (3R)-5-oxo-de-O-methyllasiodiplodin
SMILES: O=C1O[C@@H](CC(=O)CCCCCC=2C1=C(O)C=C(O)C2)C
Compound: Bipolarin E
SMILES: O=C1C=2C(=CC[C@H]3[C@]4(O[C@@H](/C=C(/CO)\C)C[C@@H]4C)CC[C@@]3(CC2[C@@H](C1)C)C)CO
Compound: Fuzanin C
SMILES: O[C@H](/C=C/C=C/C1=NC=CC=C1C)[C@H](O)C
Compound: Thioplatensimycin
SMILES: SC(=O)C1=C(O)C(NC(=O)CCC2(C(=O)C=CC34C2C5OC(C3)(C)C(C4)C5)C)=C(O)C=C1
Compound: Geopyxin F
SMILES: O=C1[C@@]23[C@@H](O)C[C@@H]4[C@](C(=O)O)(CC[C@@H]([C@]4([C@@H]2CC[C@@H](C1CO)C3)C)O)C
Compound: Menegazziaic acid
SMILES: O=C1OC2=C(C3=C(C(=O)O[C@@H]3O)C(=C2C)O)OC4=C1C(=CC(=C4O)OC)C
Compound: (3R)-7-oxo-de-O-methyllasiodiplodin
SMILES: O=C1O[C@@H](CCCC(=O)CCCC=2C1=C(O)C=C(O)C2)C
Compound: Bipherin A
SMILES: O=C(OC)C1=C(C2=C(C(=O)OC)C=C(O)C=C2)C=CC(=C1)O
Compound: Bipolarin F
SMILES: O=C1C=2C(=CC[C@H]3[C@]4(O[C@@H](C=C(C)C)C[C@@H]4C)CC[C@@]3(CC2[C@@H](C1)C)C)CO
Compound: Thioplatencin
SMILES: SC(=O)C1=C(O)C(NC(=O)CCC2(C(=O)C=CC34C2CC(C(C3)=C)CC4)C)=C(O)C=C1
Compound: (+)-(1R,5R,6R,7R,10R)-cadinan-4(11)-ene-1,5,12-triol
SMILES: O[C@]12[C@@H]([C@@H](O)C(=C)CC1)[C@H](C(O)(C)C)CC[C@H]2C
Compound: Beauveriolide V
SMILES: O=C1OC(C(CCCC)C)CC(=O)N[C@@H](C(C)C)C(N[C@H](C(NC1[C@H](CC)C)=O)C)=O
Compound: Succinilene A
SMILES: O=C(O[C@@H]([C@@H](C=C([C@@H](O)C/C=C/C=C/C=C/C[C@@H](O)[C@H](O)CC)C)C)C)CCC(=O)O
Compound: Myxotyroside B
SMILES: O=C(N/C=C\C1=CC=C(O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)C=C1)/C=C\CCCCCCCCCCCCC
Compound: Bipolarin G
SMILES: O1[C@]2([C@H]3[C@](C[C@]4(O)[C@H]([C@H](O)C[C@H]4C)C(=CC3)CO)(C)CC2)[C@@H](C)C[C@@H]1C=C(C)C
Compound: Thielocin-B3
SMILES: O=C(OC1=C(C(OC)=C(C(=O)O)C(=C1C)C)C)C2=C(OC)C(=C(OC(=O)C3=C(O)C(=C(O)C(=C3C)CC4=C(O)C(=C(C)C=C4O)C(=O)OC5=C(C(OC)=C(C(=O)OC6=C(C(OC)=C(C(=O)O)C(=C6C)C)C)C(=C5C)C)C)C)C(=C2C)C)C
Compound: Anthracyclinone blue B
SMILES: O=C1C2=C(O)C=3C(=C(C(CC)=CC3NCCO)C(=O)OC)C(=C2C(=O)C=4C1=C(O)C=CC4)O
Compound: (+)-Intermedeol
SMILES: O[C@@]1([C@@H]2[C@](CC[C@H](C2)C(=C)C)(CCC1)C)C
Compound: CB-181222
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)O)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: Succinilene B
SMILES: O=C(O[C@@H]([C@@H](/C=C(/[C@@H](O)C/C=C/C=C/C=C/C[C@@H](O)[C@@H](O)CC)\C)C)C)CCC(=O)O
Compound: Elaiomycin L
SMILES: O=C(O)[C@@H](/N=[N+](\[O-])/CCCCCCCC)COC
Compound: Bipolarin H
SMILES: O=C1C=C(C)[C@@H]2[C@@H]1[C@@H](CC[C@H]3[C@]4(O[C@@H](C=C(C)C)C[C@@H]4C)CC[C@@]3(C2)C)CO
Compound: Chaetone A
SMILES: O=C1C2=C(OCC=3C1=C(O)C=C(C)C3)C=CC=C2O
Compound: Succinilene C
SMILES: O=C(O[C@@H]([C@@H](/C=C(/[C@@H](O)C/C=C/C=C/C=C/C[C@@H](O)C(=O)CC)\C)C)C)CCC(=O)O
Compound: (+)-isodauc-8-en-11-OL
SMILES: OC([C@@H]1[C@H]2[C@](CC=C(CC2)C)(C)CC1)(C)C
Compound: Cochlioquinone F
SMILES: O=C1C(OC)=C(C(=O)C2=C1C=C3[C@]4([C@@H](O[C@H](C(O)(C)C)CC4)CC[C@@]3(O2)C)C)[C@H]([C@@H](OC(=O)C)[C@@H](CC)C)C
Compound: (7E)-3-(4-buta-2,3-dienyloxy-3-methoxy-phenyl)-acrylic acid methyl ester
SMILES: O=C(OC)/C=C/C1=CC(OC)=C(OCC=C=C)C=C1
Compound: Cangumycin A
SMILES: O=C1C2=C(C(O)=CC=C2)[C@H](O)[C@@]3([C@@H]1C=4C(=O)C[C@@H](C)CC4[C@H](O)[C@H]3O)O
Compound: Thelephantin K
SMILES: O=C(OC1=C(OC(=O)C2=CC=CC=C2)C(=C(O)C(=C1C3=CC=C(O)C=C3)OC(=O)C4=CC=CC=C4)C5=CC=C(O)C=C5)C6=CC=CC=C6
Compound: Succinilene D
SMILES: O[C@H](/C(=C/[C@H]([C@H](O)C)C)/C)C/C=C/C=C/C=C/C[C@@H](O)[C@@H](O)CC
Compound: Neomeranol B
SMILES: O[C@@H]1[C@@]2([C@](CC[C@@H]3[C@H]1C3(C)C)(CCC2)C)C
Compound: Preubetaomerin C
SMILES: O=C1C2=C3C(O[C@@]45C=6C(=C(O)C=CC6O[C@@]3(O4)[C@@H](C1)OC)[C@@H](O)[C@@H]7[C@H]5O7)=CC=C2
Compound: Austalide N
SMILES: O=C1OCC=2C1=C(OC)C3=C(O[C@]4(C[C@@H](O)[C@@]56[C@@]([C@H]4[C@@H]3OC(=O)C)(CC[C@](O5)(OC)OC6(C)C)C)C)C2C
Compound: Cangumycin B
SMILES: O=C1C2=C(C(O)=CC=C2)[C@H](O)[C@@]3([C@H]1C=4C(=O)C[C@@H](C)CC4C=C3)O
Compound: 11-Carboxyl anatoxin A
SMILES: O=C(O)CC(=O)C1=CCCC[C@H]2N[C@@H]1CC2
Compound: Brevianamide Y
SMILES: O=C1N2[C@@]3(C(=O)N[C@@]14[C@@H](C(C)(C)[C@]5(C4)C(=O)NC6=C5C=CC=C6)C3)CCC2
Compound: Pseurotin A2
SMILES: O=C1N[C@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@@]13OC([C@@H](O)[C@@H](O)/C=C\CC)=C(C3=O)C)O
Compound: Hapalindole A-formamide
SMILES: Cl[C@H]1[C@](C=C)([C@H](NC=O)[C@H]2C=3C=4C(=CC=CC4C([C@H]2C1)(C)C)NC3)C
Compound: L-arginine amide
SMILES: N[C@@H](CCCNC(N)=N)C(N)=O
Compound: A26771E
SMILES: S(C1(N(C(=O)C(SC)(CC2=CC=CC=C2)N(C1=O)C)C)CO)C
Compound: Dihydroherbimycin A
SMILES: O=C1NC2=C(O)C(=CC(=C2)O)[C@H](OC)[C@H](C[C@H](OC)[C@H](OC)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C
Compound: Cangumycin C
SMILES: O=C1C2=C(C(O)=CC=C2)[C@H](O)[C@@]34[C@@]1(O3)C=5C(=O)C[C@@H](C)CC5CC4
Compound: 6-(methyl 3-methylbutanoate)-7-hydroxy-5-methoxy-4-methylphthalan-1-one
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2C)CC[C@@H](C(=O)OC)C
Compound: Piperafizine B
SMILES: O=C1NC(C(=O)NC1=CC2=CC=CC=C2)=CC3=CC=CC=C3
Compound: Hapalindole J-formamide
SMILES: O=CN[C@H]1[C@@](C=C)(CC[C@H]2[C@@H]1C=3C4=C(C=CC=C4NC3)C2(C)C)C
Compound: Oidiolactone F
SMILES: O=C1OCC2=CC[C@@H]3[C@@]([C@]2(C1)O)(CCC[C@@]3(C(=O)O)C)C
Compound: Hexagonin A
SMILES: O=C1OC2(O[C@H]3[C@@H]([C@]4(CCC5=C([C@@]4(C3)C)CCC6[C@@]5(CC[C@H](C6(C)C)OC(=O)CC(=O)OC)C)C)[C@@H](C2)C)C(=C1C)C
Compound: Cangumycin D
SMILES: O=C1C2=C(C(O)=CC=C2)[C@H](O)[C@@]3([C@]1(O)C=4C(=O)C[C@@H](C)CC4C[C@H]3O)O
Compound: (3'S)-(E)-7-hydroxy-5-methoxy-4-methyl-6-(2-(2-methyl-5-oxotetrahydrofuran-2-yl)vinyl)isobenzofuran-1(3H)-one
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2C)/C=C/[C@]3(OC(=O)CC3)C
Compound: Shikometabolin C
SMILES: O=C1C2=C(O)C3=C(C[C@H](C=C(C)C)[C@]4([C@@H]3C(=O)C5=C(C(O)=CC=C5O)C4=O)/C=C/C=C(C)C)C(=C2C(=O)C=C1)O
Compound: Coibanol A
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: Metagenetriindole A
SMILES: O=C(C=1C2=C(C=CC=C2)NC1)C(C=3C4=C(C=CC=C4)NC3)C=5C6=C(C=CC=C6)NC5
Compound: ComXnatto pheromone
SMILES: O=C(N1[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)[C@H](CC)C)CCC2)CCC1)[C@H]3N(C(=O)[C@@H](N)CCCCN)[C@H]4NC=5C=CC=CC5[C@]4(C3)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
Compound: Cangumycin E
SMILES: O=C1C2=C(C(O)=CC=C2C[C@@H](C1)C)C(=O)C3=C(C(O)=CC=C3)CO
Compound: Zosteropenilline J
SMILES: O=C([C@H]1[C@](O)(C=C[C@@H]2[C@@H]1CC[C@@H](C2)CO)C)CCO
Compound: (-)-chizhine E
SMILES: O=C1O[C@H](C2=C(O)C=CC(=C2)O)C=C1CC/C=C(/C=O)\C
Compound: Nafuredin
SMILES: O=C1O[C@H](/C=C/C=C/[C@@H](C/C(=C/C=C/[C@H](CC)C)/C)C)[C@]2(C)[C@H]([C@H]1O)O2
Compound: Rhamnosyllactone A
SMILES: O=C1C2(C(=O)OCC2COC(C1)C)CC3=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C(=O)OC3
Compound: Cangumycin F
SMILES: O=C1C2=C(C(O)=C(O)C=C2C[C@@H](C1)C)C(=O)C3=C(C(O)=CC=C3)CO
Compound: Zosteropenilline K
SMILES: O=C1C=C2[C@H](CC[C@@H](C2)CO)[C@H]([C@@]1(O)C)C(=O)CCO
Compound: (2S,2 ́ ́S)-6-Lavandulyl-7-methoxy-5,2 ́,4 ́-trihydroxylflavanone
SMILES: O=C1C2=C(O)C(=C(OC)C=C2O[C@@H](C1)C3=C(O)C=C(O)C=C3)C[C@@H](C(=C)C)CC=C(C)C
Compound: Abenquine C
SMILES: O=C1C(NC(=O)C)=CC(=O)C(=C1)N[C@H](C(=O)O)C(C)C
Compound: Griseusin D
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1[C@@]4(O[C@H]([C@H]3O)CC(=O)OC)O[C@H](CC([C@H]4O)=O)C
Compound: 1-(5-oxotetrahydrofuran-2-yl)ethyl 2-phenylacetate
SMILES: O=C1O[C@@H]([C@H](OC(=O)CC2=CC=CC=C2)C)CC1
Compound: Zosteropenilline L
SMILES: O=C([C@H]1[C@](O)([C@H](O)C=C2[C@@H]1CC[C@@H](C2)CO)C)CCO
Compound: Aspergillamide C
SMILES: O=C(N([C@H](C(=O)N/C=C\C=1C2=C(C=CC=C2)NC1)CC3=CC=C(O)C=C3)C)[C@@H](NC(=O)C)[C@H](CC)C
Compound: (2 ́ ́S)-5 ́-Lavandulyl-4 ́-methoxy-2,4,2 ́,6 ́-tetrahydroxylchalcone
SMILES: O=C(C1=C(O)C(=C(OC)C=C1O)C[C@@H](C(=C)C)CC=C(C)C)/C=C/C2=C(O)C=C(O)C=C2
Compound: Arisugacin E
SMILES: O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@@H]4[C@@]5([C@](O)(C([C@H](O)CC5)(C)C)CC[C@]4(O3)C)C
Compound: Anthracophyllic acid
SMILES: O=C1O[C@@]2(NC=C(C2=O)[C@H]3CC=C(C(=O)O)CC3)C=C1C
Compound: arogenic acid
SMILES: NC(CC1(C=CC(O)C=C1)C(O)=O)C(O)=O
Compound: Bk-1097
SMILES: O=C1N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(NC(CC(N[C@@H](C(NC1C(O)C2=CC=C(O)C=C2)=O)CO)=O)CC(O)C(O)C(O)CCCCCCCCCCC)=O)[C@H](O)C(=O)N)CO)CC(=O)N)CC(=O)N
Compound: Zosteropenilline A
SMILES: O=C1[C@H]2[C@@](OCC1)(C=C[C@@H]3[C@@H]2CC[C@@H]([C@H]3O)C)C
Compound: Aspergillamide D
SMILES: O=C(N([C@H](C(=O)N/C=C/C=1C2=C(C=CC=C2)NC1)CC3=CC=C(O)C=C3)C)[C@@H](NC(=O)C)[C@H](CC)C
Compound: (3beta,5alpha)-Cholest-8-en-3-OL
SMILES: O[C@@H]1C[C@H]2[C@](C3=C(C4[C@]([C@@H]([C@@H](CCCC(C)C)C)CC4)(C)CC3)CC2)(C)CC1
Compound: Tripropeptin E
SMILES: O=C1OC(CC(=O)N[C@@H](C(=O)N2[C@@H](C(=O)N3[C@H](C(=O)N[C@H](C(N[C@@H](C(NC(C(N4[C@H](C(N[C@H]1C(O)C(=O)O)=O)[C@@H](O)CC4)=O)CO)=O)[C@@H](O)C(=O)O)=O)CCCN=C(N)N)CCC3)CCC2)[C@H](O)C)CCCCCCCCCCCC(C)C
Compound: PAX 4
SMILES: O=C1NC(C(=O)NC(C(=O)NC(C(=O)NC(C(NCCCCC1NC(=O)C(NC(=O)CNC(=O)CC(O)CCCCCCCCCC(C)C)CCCN=C(N)N)=O)CCCCN)CCCCN)CCCCN)CCCCN
Compound: 13-hydroxypalitantin
SMILES: O=C1[C@H](O)[C@H](O)C[C@H]([C@@H]1CO)/C=C/C=C/C[C@H](O)C
Compound: Zosteropenilline B
SMILES: O=C1[C@H]2[C@@](OCC1)(C=C[C@@H]3[C@@H]2CC[C@@H](C3)CO)C
Compound: Dalestone A
SMILES: O=C1C=C(OC)[C@H]([C@]1(O)CCCCCCCC[C@H](O)C)CO
Compound: Isoagathenediol
SMILES: O[C@@]1([C@H]([C@]2([C@@H]([C@@]3([C@H](C(CCC3)(C)C)CC2)C)CC1)C)CO)C
Compound: 5-pyridoxolactone
SMILES: Cc1ncc2C(=O)OCc2c1O
Compound: Largazole
SMILES: S1C2=NC(=C1)C=3SC[C@](N3)(C(=O)N[C@@H](C(C)C)C(O[C@@H](CC(NC2)=O)/C=C/CCSC(=O)CCCCCCC)=O)C
Compound: Penipacid A
SMILES: O=C(O)C1=C(NC(=NCC(O)(C)C)C)C=CC=C1
Compound: Zosteropenilline C
SMILES: O=C1[C@H]2[C@@](OCC1)(C=C[C@@H]3[C@@H]2CC[C@](C3)(O)C)C
Compound: 3,7,10-trihydroxy-6,11-cyclofarnes-1-ene
SMILES: O[C@@]1([C@@H](C([C@@H](O)CC1)(C)C)CCC(O)(C=C)C)C
Compound: Dalestone B
SMILES: O=C1C=C(OC)[C@@H]([C@@]1(O)CCCCCCC[C@H](O)CC)CO
Compound: 2-Methylthio-cis-zeatin
SMILES: S(C1=NC(NC/C=C(\CO)/C)=C2NC=NC2=N1)C
Compound: Amylostatin XG
SMILES: O1C(O)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]2O[C@@H]([C@@H](N[C@H]3C=C([C@@H](O)[C@@H]([C@H]3O)O)CO)[C@@H]([C@H]2O)O)C
Compound: Arylomycin B1
SMILES: O=[N+]([O-])C1=C(O)C=2C3=C(O)C=CC(=C3)C(N(C(=O)CNC(=O)[C@H](NC(=O)[C@H](N(C(=O)CCCCCCCC(C)C)C)CO)C)C)C(=O)N[C@H](C(NC(CC(=C1)C2)C(=O)O)=O)C
Compound: Zosteropenilline D
SMILES: O=C1[C@H]2[C@@](OCC1)(C=C[C@@H]3[C@@H]2CC[C@@H](C3)C)C
Compound: Eujavanicol B
SMILES: O=C([C@@]1([C@@H]2[C@@H](C=C[C@@H]1[C@@H](CC)C)[C@H](O)[C@@H](O)C[C@H]2C)C)CCO
Compound: Calbistrin F
SMILES: O=C(O[C@@H]1[C@@H]2[C@@](C(=O)CCO)([C@H](C=C[C@H]2C[C@H](C1)C)C)C)[C@H]([C@@H](O)/C(=C/C=C/[C@H](O)[C@H](O)C)/C)C
Compound: Palmarumycin CP3
SMILES: O=C1C=C[C@H]2O[C@H]3CC(C1[C@@H]2C43OC=5C=6C(C=CC5)=CC=CC6O4)=O
Compound: Phenazin SA
SMILES: O(C=1C2=NC=3C(=C(OC)C=CC3)N=C2C(CC=C(C)C)=CC1)C
Compound: 5 ́ ́-Deoxy-deoxyzeatin riboside
SMILES: O1[C@@H](N2C3=NC=NC(=C3N=C2)NCC=C(C)C)[C@H](O)[C@@H]([C@H]1C)O
Compound: Zosteropenilline E
SMILES: O=C1[C@H]2[C@@](OCC1)([C@@H](O)[C@H](O)[C@@H]3[C@@H]2CC[C@@H]([C@H]3O)C)C
Compound: O-methylmelleine
SMILES: O=C1O[C@@H](CC=2C1=C(OC)C=CC2)C
Compound: 2-pyruvylaminobenzamide
SMILES: O=C(N)C1=C(NC(=O)C(=O)C)C=CC=C1
Compound: 35-O-beta-D-Galacturonopyranosyl-2-methyl-32,33,34,35-bacteriohopanetetrol
SMILES: O=C(O)[C@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)CC[C@@H]([C@@H]2C3[C@](C4[C@@]([C@]5(C([C@@]6(C(C(C[C@H](C6)C)(C)C)CC5)C)CC4)C)(C)CC3)(C)CC2)C)[C@H](O)[C@H]([C@H]1O)O
Compound: Phenazin SB
SMILES: O(C=1C2=NC=3C(=C(O)C=CC3)N=C2C(CC=C(C)C)=CC1)C
Compound: Burkholidine 1213
SMILES: O=C1N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](CC(NC(C(N[C@@H]1[C@H](O)C2=CC=C(O)C=C2)=O)C)=O)C[C@@H](O)[C@@H](O)[C@@H](O[C@H]3OC[C@@H](O)[C@@H]([C@H]3O)O)CCCCCCCCCCC)=O)[C@H](O)C(=O)N)CO)CC(=O)N)CC(=O)N
Compound: Zosteropenilline F
SMILES: O=C([C@H]1[C@@](O)(C=C[C@@H]2[C@@H]1CC[C@@H]([C@H]2O)C)C)CCO
Compound: Oosponol
SMILES: O=C1OC=C(C(=O)CO)C=2C1=C(O)C=CC2
Compound: (22S,30R,31R,32R,33S,34S)-35-Amino-30,31,32,33,34-bacteriohopanepentol
SMILES: O[C@H]([C@H](O)[C@H](O)C([C@@H]1[C@H]2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5([C@H](C(CCC5)(C)C)CC4)C)CC3)C)(C)CC2)(C)CC1)C)[C@@H](O)[C@@H](O)CN
Compound: Phenazine SC
SMILES: O(C=1C2=NC=3C(=CC=CC3)N=C2C(O)=CC1)C/C=C(/CCC=C(C)C)\C
Compound: Triticone E
SMILES: O=C1C=C/C(=C/CC)/[C@]2([C@H]1O)C(=O)N(OC)[C@@]([C@@H]2O)(O)C
Compound: Ferrocin B
SMILES: [Fe+3].O=C1N[C@H](C(=O)NC(CN[C@H](C(=O)NCC(=O)NC(C(=O)NCC(OC[C@@H](C(NC(C(NCC(N[C@@H]1C(C)C)=O)=O)CCCN([O-])C(=O)C)=O)NC(=O)C/C=C\CCCCCC)=O)CCCN([O-])C(=O)C)CO)CCCN([O-])C(=O)C)CO
Compound: Zosteropenilline G
SMILES: O=C([C@H]1[C@](O)(C=C[C@@H]2[C@@H]1CC[C@@H](C2)C)C)CCO
Compound: Fomitopinic acid B
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)C)CC4)(C)C)CC3)C)CC2)(C)CC1)C)CC[C@H](O)C(O)(C)C
Compound: Decarbamoylgonyautoxin-2
SMILES: S(=O)(=O)(O[C@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](CO)N=C(N3C1)N)O
Compound: Graphislactone D
SMILES: O=C1OCC=2C=C(OC)C(=C(C2C=3C1=C(OC)C=C(OC)C3)O)O
Compound: (3beta,22S,30R,31R,32R,33S,34S)-35-Amino-3-methyl-30,31,32,33,34-bacteriohopanepentol
SMILES: O[C@H]([C@H](O)[C@H](O)C([C@@H]1[C@H]2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5([C@H](C(C(C)CC5)(C)C)CC4)C)CC3)C)(C)CC2)(C)CC1)C)[C@@H](O)[C@@H](O)CN
Compound: Desotamide G
SMILES: O=C1N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H]1[C@@H](CC)C)=O)CC(C)C)=O)CC(C)C)CC=2C3=C(C=CC=C3)NC2)CC(=O)O
Compound: Zosteropenilline H
SMILES: O=C([C@H]1C(=C[C@H](O)[C@@H]2[C@@H]1CC[C@@H]([C@H]2O)C)C)CCO
Compound: Xerulinic acid
SMILES: O=C1OC(=CC=CC=CC=CC#CC#CC=CC(=O)O)C=C1
Compound: Decarbamoylgonyautoxin-3
SMILES: S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](CO)N=C(N3C1)N)O
Compound: Elfvingic acid C
SMILES: O=C1C=C2[C@@]3(C(C([C@@H](O)CC3)(C)C)C[C@H]4[C@@]2(O4)[C@]5([C@]1(C(=C[C@H]5O)C(O)(CC(=O)CC(C(=O)O)C)C)C)C)C
Compound: 4b,5b-Epoxy-2-epi-zizaan-6b-OL
SMILES: O1[C@]23[C@](O)(C([C@@H]4C[C@@]2([C@@H](C)C[C@H]13)CC4)(C)C)C
Compound: Lysocellin
SMILES: O=C([C@@H]([C@H]1O[C@@]([C@@]2(O[C@]([C@@H](O)CC)(CC)C[C@H]2C)O)(C)C[C@@H]1C)CC)[C@H]([C@@H](O)[C@@H]([C@H]3O[C@](O)([C@H](C)C[C@@H]3C)CC(=O)O)C)C
Compound: Integramycin
SMILES: O=C1NC(O)C(C1=C(O)[C@@H]2[C@@H]3[C@H](C=C([C@H]2C[C@H]4O[C@]5(O[C@H](C6=CC(O)=CC(=C6)O)[C@@H](C)CC5)[C@@H](C)C[C@@H]4C)C)CC[C@H]([C@@H]3C)O)=O
Compound: Zosteropenilline I
SMILES: O=C([C@H]1C(C=C[C@@H]2[C@@H]1CC[C@@H]([C@H]2O)C)=C)CCO
Compound: [(4R,9S,10S,10aS)-2,6-diamino-10-hydroxy-9-sulooxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate
SMILES: S(=O)(=O)(O[C@@H]1[C@@H](O)[C@]23NC(N)=NC2[C@H](COC(=O)C)N=C(N3C1)N)O
Compound: Stoloniferone S
SMILES: O=C1[C@]2([C@](O)(C=C[C@H]1O)[C@H](O)C[C@@H]3[C@@H]2[C@H](O)C[C@@]4([C@@H]([C@@H]([C@@H]5[C@@H]([C@@H](C(C)C)C)C5)C)CC[C@@H]34)C)C
Compound: (4S,7S)-1(10)E,5E-Germacradien-11-OL
SMILES: OC([C@@H]1C=C[C@H](CCC=C(CC1)C)C)(C)C
Compound: Polymyxin-P1
SMILES: O=C1NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(NC(C(NC(C(NC1C(O)C)=O)CC2=CC=CC=C2)=O)CCN)=O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCC[C@H](CC)C)CCN)C(O)C)CCN)C(O)C)CCN)CCN
Compound: (1S*,2R*,4R*,5S*,6R*,8R*)-1,2,4,5,6,8-hexamethyl-3,7,9-trioxabicyclo[3.3.1]nonane
SMILES: O1C2([C@H](O[C@@H](C1([C@@H](C)O[C@@H]2C)C)C)C)C
Compound: 4′-oxomacrophorin A
SMILES: O=C1C=C(C(=O)[C@@H]2[C@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCCC4(C)C)C)CO
Compound: [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate
SMILES: S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)C)N=C(N3C1)N)O
Compound: Lepidozene
SMILES: C1(=C[C@@H]2C(C)(C)[C@@H]2CCC(=CCC1)C)C
Compound: Spiroindimicin C
SMILES: ClC1=CC=2C=3C=4C(=C(C(=O)OC)NC4)[C@]5(C3NC2C=C1)C6=C(C=CC(=C6)Cl)NC5
Compound: [(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate
SMILES: S(=O)(=O)(O[C@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)C)N=C(N3C1)N)O
Compound: Symplostatin 3
SMILES: O=C(O[C@H](C(=O)O)CC1=CC=CC=C1)[C@@H]([C@@H](OC)[C@H]2N(C(=O)C[C@@H](OC)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C)C)C(C)C)C(C)C)C)[C@H](CC)C)CCC2)C
Compound: 12beta-chloro-3,9alpha,11beta,13beta,16-pentahydroxy-8,9,10,11,12,13-hexahydro-6(7H)-one
SMILES: Cl[C@H]1[C@@H](O)C2=C(O)C=CC3=C2C([C@H]1O)[C@@]4(O)C=5C(=C(O)C=CC35)C(=O)CC4
Compound: Pyloricidin C
SMILES: O=C(N[C@@H](C1=CC=CC=C1)CC(=O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(C)C)CO
Compound: D-Elemene
SMILES: C1(=CC[C@](C=C)(C)[C@@H](C1)C(=C)C)C(C)C
Compound: Fomajorin D
SMILES: O=C1OC=CC=2C1=C(O)C3=C(CC(C3)(C)C)C2C
Compound: Neosansalvamide
SMILES: O=C1O[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1CC(C)C)=O)CC2=CC=CC=C2)=O)C(C)C)CC(C)C)CC(C)C
Compound: 3,11alpha,12beta,13beta,16-pentahydroxy-11,12-dihydroperylen-6(13H)-one
SMILES: O=C1C=2C3=C(C4=C5C(=C(O)C=CC5=C3C=CC2O)[C@H](O)[C@@H]([C@H]4O)O)C=C1
Compound: Chaetocochin G/H
SMILES: S1SS[C@@]2(N(C)C([C@](S1)(N(C)C2=O)CO)=O)CC=3C4=C(C=CC=C4)N(C3)C56C7=C(C=CC=C7)N[C@@H]5N8C(=O)[C@]9(CO)SS[C@@]8(C6)C(=O)N9C
Compound: [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate
SMILES: O=C(OC[C@@H]1N=C(N2CCC([C@@]32[C@H]1N=C(N)N3)(O)O)N)C
Compound: Pestaloficiol T
SMILES: O=C1OC(=C(CO)C(=C1)OC)[C@@H](OC(=O)C2=C(OC3=C(O)C=C(OC)C=C3C(=O)OC)C=C(C)C=C2O)CCCCCC
Compound: Dichomitin B
SMILES: O[C@]1([C@@H]2[C@@H]([C@H](C)C[C@H]2O)[C@@H]3[C@](CO)(C)[C@@H]3CC1)C
Compound: Alternarienonic acid B
SMILES: O=C1C(C2=C(C(OC)=CC(=C2)O)C(=O)O)=C(C)C[C@H]1O
Compound: Tolaasin D
SMILES: O=C1OC(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(NC(=O)C(NC(=O)C2N(C(=O)/C(/NC(=O)CC(O)CCCCC)=C/C)CCC2)CO)CC(C)C)C(C)C)CO)CC(C)C)C(C)C)C(C)C)CCC(=O)N)CC(C)C)C(C)C)=C/C)C(=O)NC(C(=O)NC(C(NC(C(NC1CCCCN)=O)CCN)=O)CCO)CC(C)C)C
Compound: [(3aS,4R,10R,10aS)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate
SMILES: O=C(OC[C@@H]1N=C(N2CC[C@H]([C@@]32[C@H]1N=C(N)N3)O)N)C
Compound: (2Z,4E,10E)-6,7,11-trihydroxy-3,7-dimethyl-1-(1H-pyrrol-2-yl)dodeca-2,4,10-trien-1-one
SMILES: O=C(C=1NC=CC1)\C=C(/C=C/C(O)C(O)(CC/C=C(/O)\C)C)\C
Compound: 2-(N-vinylacetamide)-4-hydroxymethyl-3-ene-butyrolactone
SMILES: O=C/1OC(CO)=C\C1=C\NC(=O)C
Compound: 8-demethyl-8-L-digitoxosyltetracenomycin C
SMILES: O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@H]([C@H](O)[C@@H](C4)O)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@@]5([C@@]1(O)C(=O)C=C(OC)[C@H]5O)O
Compound: Pestalofone C
SMILES: O=C1/C(=C\2/C(=C/C(=C)C)/[C@@]3(C(=O)[C@]4(O[C@H]4[C@H](C3)O)CC=C(C)C)CC(=C2)C)/C[C@H](O)[C@H]5[C@@]1(O5)CC=C(C)C
Compound: Trichoverrin C
SMILES: O=C(O[C@H]1[C@@]2([C@@]3([C@@H](C=C(C)CC3)O[C@H](C1)[C@]24OC4)COC(=O)C/C(=C/CO)/C)C)/C=C\C=C\[C@@H](O)[C@H](O)C
Compound: Micropeptin KR1030
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)CCC(=O)N)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=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CC5C=CC(O)CC5)C
Compound: 24-hydroxyolean-12-ene-3, 22-dione
SMILES: O=C1[C@]2([C@H](C3=CC[C@@H]4[C@@]5([C@H]([C@](C(=O)CC5)(CO)C)CC[C@]4([C@]3(C)CC2)C)C)CC(C1)(C)C)C
Compound: Chrysogeside F
SMILES: O=C(N[C@H]([C@H](O)/C=C/C/C=C(/CCCCCCCCC)\C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)/C=C/CCCCCCCCCCCCCCC
Compound: 7alpha-acetoxymultiplolide A
SMILES: O=C1O[C@@H](C[C@@H](O)[C@@H](OC(=O)C)C=C[C@H]2[C@@H]1O2)C
Compound: (4R*, 5S*, 6S*, 8S*, 13R*)-1-(2,8-dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydro-naphthalen-1-yl)-3-methoxy-propan-1-one
SMILES: O=C([C@]1([C@](O)(C=CC=2[C@@H]1[C@@H](O)C[C@@H](C2)C)C)C)CCOC
Compound: Sulcatine G
SMILES: O=C([C@@]12[C@@]([C@H]3CC(C)(C)C[C@H]3[C@@H]1O)(CC2)C)CO
Compound: Micropeptin KR 1002
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@@H](NC(=O)CCC)CCC(=O)N)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=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CC5C=CC(O)CC5)C
Compound: Olivoretin E
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1C(C)C)C)C=C4[C@@](C=C)(CC[C@@H](C34)C(C)(C)C)C)COC
Compound: Pestaloisocoumarin A
SMILES: O=C1O[C@@H]([C@@](O)(CO)C=2C1=C(O)C(=CC2)C)C
Compound: Squalestatin-H1
SMILES: O=C(O)[C@@]1(O)[C@@]2(O[C@](CCC(=C)[C@@H](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2O)O)C(=O)O
Compound: Epi-deacetylgriseusin B
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1[C@]4(O[C@@H](C3)CC(=O)O)O[C@@H](C[C@@H]([C@H]4O)O)C
Compound: L-aspartic 1-amide
SMILES: N[C@@H](CC(O)=O)C(N)=O
Compound: Micropeptin KR998
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@@H](NC(=O)CCC)CCC(=O)N)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=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CC5=CC=C(O)C=C5)C
Compound: Hongoquercin A
SMILES: O=C(O)C1=C(O)C2=C(O[C@@]3(CC[C@@H]4[C@@]([C@H]3C2)(CCCC4(C)C)C)C)C=C1C
Compound: N-Demethylteleocidin B-4
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N[C@H]1C(C)C)C=C4[C@@](C(C)C)(CC[C@@](C34)(C=C)C)C)CO
Compound: Menaquinone-10 (II-, III-H4)
SMILES: O=C1C2=C(C(=O)C(=C1C/C=C(/CCCC(CCCC(CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)C)C)\C)C)C=CC=C2
Compound: Pestaloisocoumarin B
SMILES: O=C1O[C@@H]([C@@](O)(C)C=2C1=C(O)C(=CC2)COC(=O)C)C
Compound: Threo-Telfairic acid
SMILES: O=C(O)/C(=C/C=C/C(C(=O)O)C(C(=O)O)C)/CC
Compound: Microviridin LH1667
SMILES: O=C1[C@H](N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC(O)=NCCCC[C@@H]3N=C(O)[C@@H](N=C([C@H]([C@H](OC(C[C@H]4C(=N[C@H](C(=N[C@H]1CCC(=O)OC[C@H](N=C(O)[C@H]5N(C(=O)[C@@H](N=C3O)CC6=CC=C(O)C=C6)CCC5)C(O)=N4)O)CC=7C8=C(C=CC=C8)NC7)O)=O)C)N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)C)CC9=CC=C(O)C=C9)CO)O)CC(C)C
Compound: 1,8-dihydroxy-10-methoxy-3-methyldibenzo[b,e]oxepine-6,11-dione
SMILES: O=C1OC2=C(C(O)=CC(=C2)C)C(C3=C1C=C(O)C=C3OC)=O
Compound: Nostocionone
SMILES: O=C(/C=C/C1=CC(OC)=C(O)C(=C1)OC)/C=C/C2=C(CCCC2(C)C)C
Compound: Usimine A
SMILES: O=C1C(C(=O)[C@@]2(C=3C(O)=C(C)C(=C(C3OC2=C1)C(=O)C)O)C)=C(N[C@H](C(=O)O)CCC(=O)OC)C
Compound: Graphiumin A
SMILES: S1S[C@]23N([C@@H]4[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C4C2)C([C@]15N([C@@H]6[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C6C5)C3=O)=O
Compound: Isopolisin B
SMILES: O=C1O[C@]([C@@]2(CC=C(C)[C@H](C2)O)C)(C)CC1
Compound: Aeruginosin LH650A
SMILES: ClC1=C(O)C=CC(=C1)C[C@@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)O)C[C@H]2C(=O)N[C@@H]4[C@@H](OC)N(C(=N)N)CCC4)CC(C)C
Compound: ComXRO-H-1 pheromone
SMILES: S(CC[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@H]2NC=3C=CC=CC3[C@@]2(C/C=C(/CCC=C(C)C)\C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC4=CC=C(O)C=C4)CCCCN)CC(=O)O)CC(C)C)C
Compound: Nobilamide A
SMILES: O=C(O)/C(/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C)CC1=CC=CC=C1)CC(C)C)CC2=CC=CC=C2)[C@H](O)C)C(C)C)C)=C/C
Compound: Chaxine D
SMILES: O=C1/C(=C\C(=O)OC2(C(=O)CC(O)CC2)C)/[C@H]3[C@]([C@@H](C(CCC(C(C)C)C)C)CC3)(C)CC1
Compound: Aeruginosin LH606
SMILES: ClC1=C(O)C=CC(=C1)C[C@@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)O)C[C@H]2C(=O)NC4N(C(=N)N)CCC4)CC(C)C
Compound: Sch-47554
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)C=C7)C)CC6)C
Compound: Pestalotiol A
SMILES: O1[C@H](/C=C/C)[C@](CO)(C)[C@H]([C@@H]1CCC)O
Compound: Aspergiloid F
SMILES: O1C2=C(O)C3=C(CCCC3(C)C)C=4C2=C(C(C)=CC4)[C@H](C1)O
Compound: ComXRO-B-1 pheromone
SMILES: S(CC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@H](C(=O)N1[C@H]2NC=3C=CC=CC3[C@@]2(C/C=C(/CCC=C(C)C)\C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC4=CC=C(O)C=C4)CC=5NC=NC5)CC(=O)O)C
Compound: 4,4,14alpha-trimethyl-3,7-dioxo-5alpha-chol-8-en-24-oic acid
SMILES: O=C1C2=C([C@]3(CCC(C([C@@H]3C1)(C)C)=O)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H](CCC(=O)O)C)C)C
Compound: Aeruginosin LH650B
SMILES: ClC1=C(O)C=CC(=C1)C[C@@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)O)C[C@H]2C(=O)N[C@@H]4[C@H](OC)N(C(=N)N)CCC4)CC(C)C
Compound: Tolypocladenol C
SMILES: O=C/1NC(CC2=CC=C(O)C=C2)C(\C1=C(\O)/C(CC(C/C=C/C)C)C)=O
Compound: Chaetomugilin Q
SMILES: ClC1=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@H](CC(=O)[C@H]([C@@H](O)C)C)[C@@](C1=O)(O)C
Compound: Rubasperone D
SMILES: O=C1C2=C(OC(=C1)C)C3=C(OC)C=C(OC)C=C3C(=C2O)C4=C(O)C=C(OC)C=5C4=CC=6OC(C)=CC(C6C5O)=O
Compound: ComXRO-C-2 pheromone
SMILES: O=C(N[C@H](C(=O)NCC(=O)O)CC(=O)O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CCCN=C(N)N)CCC(=O)O)[C@H]2NC=3C=CC=CC3[C@]2(C1)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
Compound: Citreopyrone C
SMILES: O=C1OC(=C(C)C(=C1)OC)C=O
Compound: Angumycinone B
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@@]34[C@@]1(O3)[C@H](O)C[C@@]5([C@H]4C(=O)C=C(C)C5)O
Compound: [Dhb5]Nodularin-R
SMILES: O=C1N[C@@H](C(=O)O)[C@@H](C(=O)N[C@H](C(=O)N[C@@H](/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)[C@@H](C(N[C@H](CCC(NC1=CC)=O)C(=O)O)=O)C)CCCN=C(N)N)C
Compound: Enhygromic acid
SMILES: O=C(O)/C(=C/[C@@]12[C@H]3[C@@H](CC[C@H]1C(C)(C)C[C@@H]2C(=C)CC3)C)/C
Compound: ComXRO-B-2 pheromone
SMILES: O=C(N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)O)CO)CCC1)C(C)C)[C@H]2N(C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C(O)C=C3)[C@H](O)C)CC(=O)N)CC(=O)N)[C@H]4NC=5C=CC=CC5[C@]4(C2)C/C=C(/CCC=C(C)C)\C
Compound: Ganodernoid A
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)C)[C@@H](C(=O)O)C)C
Compound: Cephalanone C
SMILES: O=C(C1=C(OC)C=C(C)C=C1O)C2=C(C(OC=C[C@H](C(=O)O)C)=CC=C2)C=O
Compound: Berkleasmin A
SMILES: O=C(O[C@H]1[C@@]23O[C@@H]2[C@@]4(OCC([C@@H]4C[C@@]3([C@@H](C)CC1)C)=C)O)[C@@H]([C@H](O)/C(=C/C(CO)CCCCCC)/C)C
Compound: ComX168 pheromone
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@H]2NC=3C=CC=CC3[C@@]2(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)O)CC(=O)O)CCC(=O)N)CCCN=C(N)N)[C@H](O)C)[C@H](CC)C)[C@H]4N(C(=O)[C@@H](NC(=O)[C@@H](N)C)CC(=O)O)CCC4
Compound: Deoxyenhygrolide A
SMILES: O=C1O/C(=C\C2=CC=CC=C2)/C(=C1CC3=CC=CC=C3)CC(C)C
Compound: Phelligridin E
SMILES: O=C1OC(C2=CC=3C=C(O)C(=CC3[C@@]24OC(C)=CC4=O)O)=CC5=C1C6=C(C=C(O)C(=C6)O)C(O5)=O
Compound: Sesbanimide C
SMILES: O=C1NC(=O)CC(C1)CC(O)C(OC)C2(OCC(C2C)=C)O
Compound: Maedamide
SMILES: O=C(OC)C1N(C(=O)[C@@H](N(C(=O)CNC(=O)[C@H](NC(=O)C[C@H](O)[C@H](NC(=O)C2N(C(=O)[C@H](OC(=O)[C@@H](O)C(C)C)[C@H](CC)C)CCC2)CC3=CC=CC=C3)[C@@H](CC)C)C)CC4=CC=CC=C4)CCC1
Compound: Cladosin D (major tautomer)
SMILES: O=C1NC(=C(C)C)C(=C1C(=N)/C=C\C[C@@H](O)C)O