MonarchInit/C3PO huggingface dataset:
Compound: Deoxyneo-beta-hydroxyaspergillic acid
SMILES: O=C1NC(=CN=C1CC(C)C)CC(O)(C)C
Compound: 3'-O-[beta-D-galactopyranosyl-(1-->4)-beta-D-galactopyranosyl]-5-bromouridine
SMILES: BrC=1C(=O)NC(=O)N(C1)C2OC(CO)C(C2O)OC3OC(C(OC4OC(C(O)C(C4O)O)CO)C(C3O)O)CO
Compound: Nisamycin
SMILES: O=C1C(NC(=O)/C=C/C=C/C2CCCCC2)=C[C@](O)(/C=C/C=C/C=C/C(=O)O)[C@@H]3[C@H]1O3
Compound: CJ-19,784
SMILES: BrC1=C(O)C(C=2OC3=C(OC)C(OC)=CC(=C3C(C2OC)=O)O)=CC=C1
Compound: Neovasipyrone B
SMILES: O=C1OC(=C(CO)C(=C1C)O)C(O)(/C=C(/[C@@H](O)[C@H](CC)C)\C)C
Compound: Hirsutenol C
SMILES: O=C1C=C2C[C@@]3(O)C[C@](C[C@H]3[C@@]2([C@H]1C)C)(CO)C
Compound: Hexatenuin A
SMILES: O=C1O[C@]2(O[C@H]3[C@@H]([C@]4(CCC5=C([C@@]4(C3)C)CC[C@@H]6[C@@]5(CC[C@H](C6(C)C)OC(=O)CC(=O)O)C)C)[C@@H](C2)C)C(=C1C)C
Compound: Petromurin A
SMILES: O(C1=C(OC)C(=C(OC)C(=C1C=2C3=C(C=CC(=C3)O)NC2)OC)C=4C5=C(C=CC(=C5)CC=C(C)C)NC4)C
Compound: Sabetaafrin C
SMILES: O=C1C=C2C(=COC(=C2)CC(O)C)C=3[C@]1(OC(=O)C3/C(/O)=C/C(=O)/C=C/C(=C/C(CC)C)/C)C
Compound: Prejadomycin 2-carboxylate
SMILES: O=C1C(=C(CC2(C1C=3C(=C(O)C4=C(O)C=CC=C4C3)C(=O)C2)O)C)C(=O)O
Compound: Leiwansterol A
SMILES: O=C1C2=C3[C@]([C@H]([C@H](CC[C@@H](C(C)C)CC)C)C[C@H]3O)(CC[C@@]2(O)[C@@]4(CC[C@H](C[C@H]4C1)O)C)C
Compound: Sch 49088
SMILES: ClC1=C(OC)C(=C(C)C(=C1O)Cl)C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H]([C@H](OC)[C@](C3)(NOC(C4=C(C=CC(=C4)C)/C=C/CC(=O)O)CCC(CC)C)C)C)C[C@H](O[C@H]5[C@H](O)C[C@@]6(O[C@@]7([C@H](O)[C@H](O[C@H]8[C@@H](OC)[C@H](O[C@H]([C@@H]8O)O[C@H]9[C@H](O)[C@H](OC)[C@H](O[C@@H]%10OC[C@@H]%11O[C@]%12(O[C@H]%11[C@H]%10O)OC[C@@H](OC(=O)C%13=C(O)C=C(O)C=C%13C)[C@H]%14[C@H]%12OCO%14)O[C@@H]9COC)C)O[C@@H]([C@H]7O6)C)C)O[C@@H]5C)O[C@@H]2C
Compound: 5-Hydroxy-3,4,5-trimethylfuran-2(5H)-one
SMILES: O=C1O[C@@](O)(C)C(=C1C)C
Compound: 35-O-alpha-altruronopyranosylbacteriohopanetetrol
SMILES: O=C(O)[C@H]1O[C@H](OCC(O)C(O)C(O)CC[C@@H](C2C3[C@](C4[C@@]([C@]5(C([C@@]6(C(C(CCC6)(C)C)CC5)C)CC4)C)(C)CC3)(C)CC2)C)[C@@H](O)[C@@H]([C@@H]1O)O
Compound: Cytochalasin Z19
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@]1(OC(=O)OC)[C@@H](/C=C/C[C@@H](C(=O)C(O)(CC=O)C)C)[C@H](O)C(=C)[C@H]3C
Compound: Spirotryprostatin A
SMILES: O=C1N2[C@@H](C=C(C)C)[C@]3(C(=O)NC4=C3C=CC(=C4)OC)C[C@H]2C(=O)N5[C@H]1CCC5
Compound: Ascosteroside
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[C@H]2O)C
Compound: Pestaloficiol V
SMILES: O=C1C2=C(OC([C@H]1O)(C)C)C(=CC=C2)CC=C(C)C
Compound: Tenelate B
SMILES: O=C(OC)C1=C(OC)C(=CC=C1OC2=C(OC)C=C(C)C=C2C(=O)CC)[C@@H](OC(=O)C)CC(C)C
Compound: Agglomerin B
SMILES: O=C1OC(=C)C(=C1C(=O)CCCC=CCCCCCC)O
Compound: Irlactin E
SMILES: O=CC1=C2[C@@H]([C@H](C)[C@@H]3C[C@H]1[C@H](O3)O)CC(C2)(C)C
Compound: 9-Hydroxylarone
SMILES: O=C1OC(/C(=C/[C@@H](O)CC)/C)=CC(=C1C)OC
Compound: Spirangien G
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/CO)/C)C)C)[C@@H](O)C[C@@H]1C)C)C
Compound: Luminacin G2
SMILES: O=C(C1=C(O)C(=C(O)C(=C1)CC(C)C)C=O)C(C2O[C@@H](O)C3(O[C@H]3CC)[C@@H](C2)O)CCCC
Compound: Trichoaurantianolide D
SMILES: O=C1O[C@]23C(=C)CO[C@H]2[C@H]4C(=O)C[C@@H]([C@@]4(C)C[C@H]([C@@]3(C1)C)OC(=O)C)C(C)C
Compound: 2′,3′,4′′-triacetoxy-3,4,5′,6′-tetrahydroxy-p-terphenyl
SMILES: O=C(OC1=C(OC(=O)C)C(=C(O)C(=C1C2=CC(O)=C(O)C=C2)O)C3=CC=C(OC(=O)C)C=C3)C
Compound: Pullularin F
SMILES: O=C(N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O)CC1=CC=C(OCC=C(C)C)C=C1)[C@H](CC)C)C)CO)[C@H]2N(C(=O)C(O)CC3=CC=CC=C3)CCC2
Compound: methyl 1-(1-b-Glucopyranosyl)-1H-indole-3-acetate
SMILES: O=C(OC)CC=1C2=C(C=CC=C2)N(C1)C3OC(C(O)C(C3O)O)CO
Compound: Tirandamycin G
SMILES: O=C/1NCC(\C1=C(/O)\C=C\C(=C\[C@H]([C@H]2O[C@]3(O[C@@H]([C@@H]2C)[C@H](O)[C@@H]([C@H]3C)O)C)C)\C)=O
Compound: 16-deoxo-paraherquamide J
SMILES: O=C1N([C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)NC5=C4C=CC6=C5OC=CC(O6)(C)C)C[C@]17N(C[C@@H](C7)C)C3)C
Compound: Saponaceolide O
SMILES: O=C1OCC=C1CC(=O)[C@H]2C(=C)CC[C@H](C2(C)C)CC[C@@H]3CO[C@]4(O[C@]5(O)C(C)(C)O[C@]4(CC5)C)CC3
Compound: Acarviostatin III23
SMILES: O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5C(=C[C@H](N[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]8C(=C[C@H](N[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]%11[C@H](O)[C@@H](O)[C@@H](O[C@H]%12[C@H](O)[C@@H](O)[C@@H](O[C@H]%13[C@H](O)[C@@H](O)C(O)O[C@@H]%13CO)O[C@@H]%12CO)O[C@@H]%11CO)O[C@@H]%10CO)O[C@@H]9C)[C@@H]([C@H]8O)O)CO)O[C@@H]7CO)O[C@@H]6C)[C@@H]([C@H]5O)O)CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]%14O[C@@H]([C@@H](O)[C@@H]([C@H]%14O)O)CO
Compound: Beticolin 0
SMILES: ClC1=C2O[C@]3(C(C(=O)CC[C@H]3O)=C(C2=C(O)C4=C1C[C@@]56C(=O)C7=C(C(O)=CC=C7O)C(=C5C([C@@H]4C(C)=C6)=O)O)O)C(=O)OC
Compound: Abybetaomicin D
SMILES: O=C1[C@H](C[C@H](C(O)=C2[C@]34[C@@H]1C[C@@H]5[C@@H](O)[C@H](O3)[C@H](C)C[C@]45OC2=O)C)C
Compound: Lucidulactone A
SMILES: O=C1OC[C@@H]([C@H]1O)C2=CC(OC)=C(O)C(=C2)OC
Compound: Bacilosarcin C
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@H]2O[C@](O)([C@H](C)N[C@H]2CC(=O)O)C)CC(C)C)CC=3C1=C(O)C=CC3
Compound: Stachybotrin A
SMILES: O=C1NCC2=C1C=C(O)C3=C2O[C@]([C@@H](O)C3)(CC/C=C(/CO)\CCC=C(C)C)C
Compound: SMTP-7
SMILES: O=C1N(C(C(=O)O)CCCN2C(=O)C=3C=C(O)C4=C(C3C2)OC(C(O)C4)(CCC=C(CCC=C(C)C)C)C)CC5=C1C=C(O)C6=C5OC(C(O)C6)(CCC=C(CCC=C(C)C)C)C
Compound: (-)-applanatumol K
SMILES: O=C(O)[C@]1([C@@H](O)C(=C)[C@@H](O)CC1)CC(=O)C2=C(O)C=CC(=C2)O
Compound: (4S)-hex-2-yne-1,4-diol
SMILES: O[C@H](C#CCO)CC
Compound: quinaldate
SMILES: [O-]C(=O)c1ccc2ccccc2n1
Compound: Guanacastepene K
SMILES: O=C1C2=C3[C@@](CC[C@]4([C@@]5([C@H]3OC2)C(=O)C(OC(=O)C)C4[C@H]([C@@H]5O)C)C)(C)CC1
Compound: (+/-)-hemi-oxanthromicin B
SMILES: O=C1C2=C(O)C(=CC=C2[C@@](OC)(C)C3=C1C(=C(C(=O)O)C(=C3)O)C)C
Compound: Fudecalone
SMILES: O=C1C=C([C@@H]2CO[C@H]([C@@]32[C@H]1C(CCC3)(C)C)O)C
Compound: Phomodione
SMILES: O=C1[C@@]2(C3=C(OC)C(=C(O)C(=C3O[C@]2(OC)CC(C1C(=O)C)=O)C(=O)C)C)C
Compound: methyl 3,5-dichloro-4-methoxybenzoate
SMILES: ClC1=C(OC)C(Cl)=CC(=C1)C(=O)OC
Compound: Melanoxadin
SMILES: O1C=NC(=C1)/C=C/C(O)C(O)C
Compound: (2S)-5-acetamidopentyl 2-hydroxypropanoate
SMILES: O=C(OCCCCCNC(=O)C)[C@@H](O)C
Compound: Ripostatin B
SMILES: O=C1O[C@H](C[C@H](O)CC(=CCC=CCC(=C1)CC(=O)O)C)C[C@H](O)CC/C(=C/CC2=CC=CC=C2)/C
Compound: 7RS,11RS,2H-3,4,4a,5a,7,8-hexahydro-pyrano[2,3-b]cyclopenta[d]pyran-9(6H)-one
SMILES: O=C1C2=C(CO[C@@H]3[C@H]2CCCO3)CC1
Compound: Arthropsatriol B
SMILES: O=C(C(O)[C@H]1[C@H](C=C[C@@H]([C@H]1O)O)/C=C/C)C
Compound: Epothilone C7
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)C(CCCC=C[C@@H]2O)C)C)(C)C)\C)C
Compound: Inotilone
SMILES: O=C1/C(/OC(=C1)C)=C/C2=CC(O)=C(O)C=C2
Compound: Ravenelone
SMILES: O=C1O/C(=C\C2=CC=CC=C2)/C(=C1[C@@H](C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)C(=O)OC)O
Compound: Taxlllaid A
SMILES: O=C1O[C@@H]([C@H](NC(=O)CCCC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@@H](C(N[C@H](C(N[C@H]1C)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)CC(C)C)C)C
Compound: Coprismycin B
SMILES: S(C1=C(OC)C=C(C2=CC=CC=C2)N=C1/C=N/O)C
Compound: Iso-cladospolide B
SMILES: O=C1O[C@H]([C@@H](O)CCCCC[C@@H](O)C)C=C1
Compound: Paecilomycine A
SMILES: O=C1O[C@H]2CC(=C)[C@@H]([C@]([C@@H]2[C@@H]1C)(CC(=O)O)C)CC/C(=C/C(=O)O)/C
Compound: SNF-4794-7
SMILES: O=C(OC(C(O)CCCCCCCC)CCCCCCCCCCCCCCCC1=CC(O)=CC(=C1)O)C
Compound: 21978C2(D-Asn11)
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCC(C)C)CC=2C3=C(C=CC=C3)NC2)CC(=O)N)CC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C)C(N[C@H](C(NCC(N[C@@H](C(N[C@H](C(N[C@H]1CC(=O)C4=C(N)C=CC=C4)=O)C(CC(=O)O)C)=O)CC(=O)N)=O)=O)CC(=O)O)=O)CC(=O)O)CCCN)C
Compound: Incrustoporin
SMILES: O=C1O[C@@H](CC)C=C1C2=CC=C(C)C=C2
Compound: Microcystin-FR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CC3=CC=CC=C3)C
Compound: Izuminoside A
SMILES: O=C(O)C=1C2=NC=3C(=C(O[C@@H]4O[C@@H]([C@H](O)[C@H]([C@H]4O)O)C)C=CC3)N=C2C=CC1
Compound: 4-methyl-7,11-heptadecadienoic acid
SMILES: O=C(O)CC[C@H](CC/C=C\CC/C=C\CCCCC)C
Compound: Saponaceolide H
SMILES: O=C1OCCC1=C[C@H](O)[C@H]2C(=C)CC[C@H](C2(C)C)CC[C@@H]3CO[C@]4(O[C@]5(O)C(C)(C)O[C@]4(CC5)C)CC3
Compound: Monocillinol B
SMILES: O=C1N[C@H]2[C@@H](C=C(C(=O)OC)C[C@@H]2O)OC1=C
Compound: Muraymycin B3
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@@H](O[C@@H]3O[C@H](CN)[C@H]([C@H]3OC)O)[C@H](NCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@H]4NC(=NCC4)N)[C@@H](OC(=O)CCCCC(CC)C)C(C)C)C(=O)O)[C@H]([C@H]2O)O
Compound: Chlorohyellazole
SMILES: ClC1=CC2=C(NC3=C2C=C(OC)C(=C3C4=CC=CC=C4)C)C=C1
Compound: (3S)-(3',5'-dihydroxyphenyl)butan-2-one
SMILES: O=C([C@H](C1=CC(O)=CC(=C1)O)C)C
Compound: Magnicol E
SMILES: O=C(C(O)(CO)C)[C@@H](O)C[C@@]1([C@@H]2[C@](C=C3[C@@H](C)CC[C@@]43[C@H]2CC[C@@H]4C)(C)CC1)C
Compound: Penicitrinol L
SMILES: O=C(O)C1=C2O[C@]3(OC)[C@H](CCCC3)[C@@H]4C2=C([C@@H]([C@@H](C)O4)C)C(=C1O)C
Compound: Asterriquinone CT2
SMILES: O=C1C(O)=C(C(=O)C(=C1C=2C3=C(C=C(/C=C/C(=C)C)C=C3)NC2)O)C=4C5=C(C=C(CC=C(C)C)C=C5)NC4
Compound: Isocadinanol A
SMILES: O1[C@]23[C@H]([C@H]([C@H](O)C[C@@H]2C(C)C)C)CC[C@H]([C@@]13C)O
Compound: (7R*,8S*)-4,7,8-trihydroxy-3,6,7,8-tetrahydronaphtho[2,3-c]furan-5(1H)-one
SMILES: O=C1C2=C(O)C3=C(COC3)C=C2[C@H](O)[C@@H](C1)O
Compound: 2alpha,11-dihydroxy-6-oxodrim-7-ene
SMILES: O=C1C=C([C@H](CO)[C@@]2([C@@H]1C(C[C@@H](C2)O)(C)C)C)C
Compound: Inonotin G
SMILES: O=C1[C@@](O)([C@H]2[C@H]([C@@H](CO)CC2)[C@@H]3[C@H](C1)[C@]3(CO)C)C
Compound: Cochleamycin A
SMILES: O=C1O[C@@H]2C[C@@H](O)C[C@H]3[C@@H](C=C1C(=O)C2)[C@H]4[C@H]([C@H](OC(=O)C)[C@@H](C4)C)C=C3
Compound: N-methyl-streptothricin D
SMILES: O=C1N(C[C@@H](O)[C@@H]2[C@@H]1N=C(NC3OC(C(OC(=O)N)C(C3NC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCN)O)CO)N2)C
Compound: Brabetaicicene E
SMILES: O=C1C(=C2C[C@H](O)[C@H](C)[C@H]3C(=C[C@]2([C@]1(OC(=O)C)C)O)[C@](O)(CC3)COC)C(C)C
Compound: 7,9-dihydroxy-3-(1H-indol-3-ylmethyl)-8-methoxy-2,3,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
SMILES: O=C1N2[C@@H](C(=O)N[C@@H]1CC=3C4=C(C=CC=C4)NC3)CC=5C=C(O)C(=C(C5C2)O)OC
Compound: Milbemycin beta9
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C([C@]4([C@H]1C=C([C@@H](OC)[C@H]4O)C)O)CO)C)C)O[C@@H]([C@@H](C)CC3)C
Compound: Exochelin MS
SMILES: O=C(O)C(N)CCCN(O)C(=O)C(NC(=O)C(N)CCCN(O)C(=O)CCNC(=O)C(N)CCCN(O)C=O)C(O)C
Compound: Radarin D
SMILES: O[C@@H]1[C@@H]([C@@]2([C@H]([C@]3([C@@H]([C@]([C@H](C)CC3)(CC=4C5=C(C=CC=C5)NC4)C)CC2)C)CC1)C)C
Compound: Brocaenol A
SMILES: O=C1OC=C(C)[C@H]([C@@]2(C1=C(O)C3=C(C=CC=C3O)O2)C(=O)OC)O
Compound: 1,4-dimethoxy-2,3,5,6-tetrachlorobenzene
SMILES: ClC1=C(Cl)C(OC)=C(Cl)C(=C1OC)Cl
Compound: 3-Keto-drimenol
SMILES: O=C1C([C@H]2[C@]([C@H](C(C)=CC2)CO)(C)CC1)(C)C
Compound: Carbonarone B
SMILES: O=C1NC(=CC(=C1C=O)O)CC2=CC=CC=C2
Compound: D-Phe-L-Val-D-Val-L-Tyr
SMILES: O=C(O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CC1=CC=CC=C1)C(C)C)C(C)C)CC2=CC=C(O)C=C2
Compound: Mycestericin F
SMILES: O=C(O)C(N)([C@@H](O)CCCCCCCCCCC(=O)CCCCCC)CO
Compound: Fomitoside I
SMILES: O=C(O[C@H]1[C@@H](O[C@H](CO)[C@H]([C@@H]1O)O)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)CCC=C(C)C
Compound: Jadomycin Ala
SMILES: O=C1C=2N3[C@@H](OC([C@@H]3C)=O)C=4C=C(C)C=C(C4C2C(=O)C=5C1=C(O[C@@H]6O[C@H]([C@H](O)[C@@H](C6)O)C)C=CC5)O
Compound: 2-thiocytidine
SMILES: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)n1
Compound: 6-hydroxymetatacarboline B
SMILES: O=C(N[C@H](C(=O)O)CCC(=O)N)C1=NC(=C2NC3=C(C2=C1)C=C(O)C=C3)CCC(=O)N4[C@H](C(=O)O)CCC4
Compound: Penochalasin D
SMILES: O=C1C(=C[C@H](CC=C[C@@H]2[C@]3(C4=N[C@H]1CC4)C(=O)NC([C@@H]3[C@H](C)[C@@]5([C@H]2O5)C)CC=6C7=C(C=CC=C7)NC6)C)C
Compound: Sch53514
SMILES: O=C1C=C[C@H](O)[C@]23[C@]1(O2)C4(OC=5C=6C(C=CC5)=CC=CC6O4)[C@@H]7O[C@@H]7[C@@H]3O
Compound: 3-O-beta-D-glucopyranosyl-22E,24R-5alpha,8alpha-epidioxyergosta-6,22-diene,
SMILES: O1O[C@@]23C=C[C@]14[C@H](CC[C@]5([C@H]4CC[C@@H]5[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@]2(CC[C@@H](C3)O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)C
Compound: 4beta-acetoxy-9beta-10beta-15alpha-trihydroxyprobotrydial
SMILES: O=C(O[C@@H]1[C@@H]2[C@@]3(O)[C@]([C@@H](O)[C@@H]([C@H]3[C@@H](C1)C)O)(C)CC2(C)C)C
Compound: Quartromicin D2
SMILES: O=C1C23OC(C1C(O)C(=CC=CC4(C=C(C(C)CC45OC(O)C(C5=O)C(O)C=CC6(C=C(C(C)CC67OC(C(C(C(=CC=CC8C9(C(C(C(C=CC2(C=C(C=O)C(C3)C)C)O)C(O9)O)=O)CC(C)C(=C8)CO)C)O)C7=O)O)CO)C)CO)C)C)O
Compound: Strobilurin I
SMILES: O=C(OC)\C(\C(=C/C=C/C1=CC=2OC([C@@H](O)COC2C=C1)(C)C)\C)=C\OC
Compound: Fusicoccin Q
SMILES: O1C(O[C@@H]2C3=C(C(C)C)C[C@@H]([C@@]3(C=C4[C@@H](CO)CC[C@H]4[C@H]([C@H]2O)C)C)O)C(O)C(O)[C@@H]([C@H]1CO)O
Compound: (3S,5E,7S,8S)-13-Bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1H-2-benzooxacyclotetradecin-1-one
SMILES: BrC1=C2C(C(=O)O[C@H](CC=C[C@@H]([C@H]([C@@H](CC=C2)O)O)O)C)=C(O)C=C1OC
Compound: Chaetocochin J
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(CO)N(C(C8=C6)=O)C
Compound: N-<9,10-dihydro-7-iso-jasmonoyl>-(S)-isoleucine
SMILES: O=C1[C@H]([C@@H](CC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CC1)CCCCC
Compound: Thiomuracin D
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](CC)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)CC%10=CC=CC=C%10
Compound: Syringopeptin SP508 A
SMILES: O=C/1NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O[C@H]([C@@H](C(NC(C(NC(C(N\C1=C/C)=O)C)=O)CO)=O)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)C(NC(=O)C2N(C(=O)/C(/NC(=O)CC(O)CCCCCCCCC)=C/C)CCC2)C(C)C)CC(C)C)C)C)CC(C)C)C(C)C)C)C)C(C)C)C)C)=C/C)C)CC3=CC=C(O)C=C3)CCN)CCN)C
Compound: Cephaibol P
SMILES: O=C(N1C(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)O)CO)CC3=CC=CC=C3)CCC2)(C)C)CC(C1)O)C(NC(=O)C(NC(=O)C4N(C(=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)CC5=CC=CC=C5)(CC)C)CCC(=O)N)(C)C)C(CC)C)C(O)C)(C)C)CC(C)C)(C)C)CC(C4)O)CCC(=O)N)(C)C
Compound: Agrocybyne C
SMILES: O=C(N)C#CC#C/C=C\C
Compound: Asterobactin A
SMILES: O=C(OCC(O)C(=O)NC(C(=O)OC(C(C(=O)NC(C(=O)NO)CCCN(O)C(=N)N)C)CCCCCCCC)CCCN(O)C=O)C1=C(O)C=CC=C1
Compound: Lucensimycin F
SMILES: S(C[C@@H]1OC(=O)[C@@]2(C1=O)C(=O)[C@]3([C@@H](C=C[C@@H]4[C@@H]3C[C@@H](OC(=O)C)[C@@H]([C@H]4O)C)C[C@H]2C=CC=CC=CC(=O)O)C)C[C@@H](NC(=O)C)C(=O)N[C@H]5[C@H](O[C@@H](CO)[C@H]([C@@H]5O)O)OC6[C@@H](O)[C@@H](O)C(O)[C@H]([C@@H]6O)O
Compound: Saccharosacrin B
SMILES: O=C1OC23C(C=C(C(OC4OC(C(NC(=O)C)C(C4)(O)C)C)C(C)C=C(C5C(C(=C1C2=O)O)(C6C(C(OC7OC(C(OC8OC(C(OC9OC(C(O)C(C9)O)C)C(C8)OC%10OC(C(O)CC%10)C)C)C(C7)O)C)C(C)CC6C)C=C5)C)C)C)C=CC(C3)CCC
Compound: Halovir C
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](CO)CC(C)C)CCC(=O)N)C(C)C)CC(C)C)CCC1)C(NC(=O)CCCCCCCCCCCCC)(C)C
Compound: Dl-fucosamin
SMILES: O=C[C@@H](N)[C@@H](O)[C@H](O)C(O)C
Compound: Penicillar C
SMILES: O1[C@H](/C=C(/C=C\C)\CO)CC[C@H]1C
Compound: Lecanorafuran B
SMILES: O1C2=C(C3=C(O)C=C4OC=5C(C4=C3C)=C(C=C(O)C5)C)C(O)=CC(=C2C6=C1C=C(O)C=C6C)C
Compound: 15G256kappa
SMILES: O=C(O[C@@H](CC(=O)O)C)C1=C(O)C=C(O)C=C1C[C@H](O)C
Compound: Coniofurol A
SMILES: O=C1C2=C(OC3=C1[C@](O)(C(=O)OC)[C@@H](CCO)O3)C=C(C)C=C2O
Compound: Naphthomycin A
SMILES: ClC1=C2NC(=O)C(=CC=CC=C[C@@H]([C@@H](O)CC(=O)C(C)=CC[C@@H](C=C[C@@H]([C@@H]([C@H](C=C(C(C=3C(C1=O)=C(C2=O)C=C(C)C3O)=O)C)C)O)C)O)C)C
Compound: Gulypyrone A
SMILES: O=C1OC(=C(C)C(=C1)OC)C([C@@H](O)C)C
Compound: Elmenol B
SMILES: O1[C@H](OC)C=2C=CC=C(C2[C@@H]1C3=CC4=C(O)C=C(C)C=C4C=C3)OC
Compound: Microcin C51
SMILES: S(CCC(NC=O)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)NCCCOP(=O)(OC[C@H]1O[C@@H](N2C3=C(N=CN=C3)N=C2)C(C1O)O)O)C)CC(=O)N)[C@H](ON)C)CCCN=C(N)N)C
Compound: 3beta-Acetoxyfern-9(11)-en-19beta-ol
SMILES: O=C(O[C@@H]1C([C@H]2[C@](C3=CC[C@]4([C@H]5[C@]([C@@H](C(C)C)C[C@@H]5O)(C)CC[C@@]4([C@H]3CC2)C)C)(C)CC1)(C)C)C
Compound: Methylmenaquinone MMK-8(VIII-H2)
SMILES: O=C1C2=C(C(=O)C(=C1C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCCC(C)C)\C)\C)\C)\C)\C)\C)\C)C)C(=CC=C2)C
Compound: Thioactin
SMILES: S1C2=NC(=C1)C(=O)NC(C(=O)NC(C=3OC=C(N3)C(=O)NCC=4SC=C(N4)C(NC(C5=NC(C(NC(C(NC(C6=NC(C7=C2C=CC(=N7)C(=O)NC(C(=O)N)=C)=CO6)=C)=O)=C)=O)=CS5)C)=O)CSC)C(O)C
Compound: Iso-C17 bacillomycin D
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@@H]1CC(=O)N)=O)CC3=CC=C(O)C=C3)=O)CC(=O)N)=O)CCCCCCCCCCCC(C)C)C(O)C)CO)CCC(=O)O)CCC2
Compound: Mycoleptone A
SMILES: O=C1C(=C2C(=COC(=C2)C)[C@@H]([C@]1(O)C)O)CC3=C4C(=COC(=C4)C)[C@H](O)[C@](C3=O)(O)C
Compound: Squalestatin T1
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](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)C(=O)O)/C=C/C(=C/C(CC)C)/C
Compound: Pyrenochaetic acid G
SMILES: O=C(O)C1=CC(OC)=C(C(=O)[C@@H](O)CC)C(=C1)C
Compound: Asporyzin A
SMILES: O=C1NC2=C(C(=O)C[C@H]3[C@]1([C@@]4([C@H]([C@]5([C@@H](O[C@H](C5)C=C(C)C)CC4)C)CC3)C)C)C=CC=C2
Compound: Oxopropaline G
SMILES: O=C(C1=NC=C(C)C2=C1NC=3C=CC=CC23)CCO
Compound: Aurantiomide C
SMILES: O=C1N2C(=NC3=C1C=CC=C3)/C(/NC([C@@H]2CCC(=O)N)=O)=C/C(C)C
Compound: 3-epi-radicinin
SMILES: O=C1OC(=CC2=C1C(=O)[C@H](O)[C@@H](O2)C)/C=C/C
Compound: Cyclipostin F
SMILES: P1(=O)(OC(=C2C(=O)OC[C@@H]2CO1)C)OCCCCCCCCCCCCCC(=O)CC
Compound: 2-trans,6-cis-farnesyl diphosphate
SMILES: CC(C)=CCC\C(C)=C/CC\C(C)=C\COP(O)(=O)OP(O)(O)=O
Compound: Chetracin D
SMILES: S([C@@]1(N(C(=O)[C@@]2(SC)[C@@H](O)C3([C@@H](N2C1=O)NC=4C=CC=CC34)[C@@]56C7=C(C=CC=C7)N[C@@H]5N8C(=O)[C@@](SC)(CO)N(C([C@]8([C@H]6O)SC)=O)C)C)CO)C
Compound: Unguisin C
SMILES: O=C1N[C@@H](C(=O)N[C@@H](C(=O)NCCCC(=O)N[C@@H](C(N[C@@H](C(N[C@H](C(N[C@@H]1C(C)C)=O)CC2=CC=CC=C2)=O)C(C)C)=O)C)CC=3C4=C(C=CC=C4)NC3)CO
Compound: Pheofungin B
SMILES: S1C2=C(NC3=C1C=C(C)C=C3O)C(=O)OC4=C2C(=CC(=C4O)O)C
Compound: Heliquinomycin
SMILES: O=C1OC(C(=O)OC)=CC=2C1=C(O)C=3OC4(OC=5C(O)=C6C(=O)C(OC)=CC(C6=C(C5C4OC7OC(C(O)C(C7)OC)C)O)=O)C(O)CC3C2
Compound: Gymnastatin B
SMILES: ClC=1C(=O)[C@H](Cl)[C@@H](O)[C@@]2(C1)O[C@@H](OC)[C@H](C2)NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)/C
Compound: Aeruginosin GE730
SMILES: BrC1=C(O)C(Br)=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)NCCCCN=C(N)N)[C@H](CC)C
Compound: Phomoenamide
SMILES: O=C(N\C=C/C=C\NC(=O)C(O)C(C)C)C(O)C(C)C
Compound: Mangromicin A
SMILES: O=C1[C@H]([C@@H](O)[C@H](O)[C@H]2O[C@@](CCC=3C(O[C@@H](C1)[C@@H](C3O)CCC)=O)(C)C[C@H]2C)C
Compound: Coeligiosin A
SMILES: O(C1=C(NC(=C1)C=2NC=CC2)C(=C3N=C(CCCCCCCCCCC)C=C3)C=4NC(CCCCCCCCCCC)=CC4)C
Compound: Kasumigamide
SMILES: O=C(O)[C@H](NC(=O)[C@H](NC(=O)C[C@H](O)[C@H](NC(=O)CCNC(=O)[C@H](O)CC1=CC=CC=C1)CC=2C3=C(C=CC=C3)NC2)CCCN=C(N)N)[C@H](O)C4=CC=CC=C4
Compound: Koninginin G
SMILES: O1[C@]2(O)[C@@H](O)CC[C@H]([C@H]2CC[C@H]1[C@@H](O)CCCCCC)O
Compound: Quercinic acid C
SMILES: O=C(O)C([C@H](C(=O)C[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)C[C@H]2O)(C)CC1)C)C)C)C
Compound: Mixirin B
SMILES: O=C1N2[C@@H](C(=O)NC(CC(=O)N[C@H](C(=O)N[C@H](CC3=CC=C(O)C=C3)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC(=O)N)=O)CO)=O)CCC(=O)N)=O)CC(=O)N)=O)CC(=O)N)CCCCCCCC)CCC2
Compound: TMC-95 C
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N/C=C\C)[C@@H](O)[C@]2(O)C(=O)NC3=C(C=4C=C(C[C@@H]1NC(=O)C(=O)[C@H](CC)C)C=CC4O)C=CC=C23)CC(=O)N
Compound: Citreodiol
SMILES: O=C(OC)/C(=C/C=C/[C@@](O)([C@H](O)C)C)/C
Compound: 5-butyl-4-methoxy-6-methyl-2H-pyran-2-one
SMILES: O=C1OC(=C(CCCC)C(=C1)OC)C
Compound: Cladosporol C
SMILES: O=C1C2=C(O)C=CC=C2[C@@H](C3=C4C(=C(O)C=C3)[C@@H](O)CCC4=O)CC1
Compound: Ustilagic acid C
SMILES: O=C(O)C(O)CCCCCCCCCCCCC(O)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)COC(=O)C
Compound: 10-epi-sclerotiamide
SMILES: O=C1N2[C@@]3(C(=O)N[C@]14[C@H](O)[C@@]5(C(=O)NC6=C5C=CC7=C6C=CC(O7)(C)C)C([C@@H]4C3)(C)C)CCC2
Compound: 6-epi-Ophiobolin A
SMILES: O=C1[C@H]2C(=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)C=O
Compound: 6'-N-Methylbutirosin B
SMILES: O=C(NC1C(O)C(OC2OC(CO)C(C2O)O)C(OC3OC(C(O)C(C3N)O)CNC)C(C1)N)[C@@H](O)CCN
Compound: 1,4,6-trihydroxy-8-pentyl-9,10-anthraquinone
SMILES: O=C1C2=C(C(=O)C3=C1C(=CC(=C3)O)CCCCC)C(O)=CC=C2O
Compound: Creolophin D
SMILES: O=C1[C@@]2(O[C@@H]2[C@H]3[C@@H]1[C@@]4(C(=C)[C@@H](O)[C@@H]5[C@]4(O5)C3)C)C
Compound: Leptosphaerin C
SMILES: O=C1C(=C[C@H](O)[C@]2([C@@H]1C)OC=3C=CC=C(C3C2=O)O)C
Compound: Preubetaomerin EG2
SMILES: O=C1C2=C3C(O[C@@]45C=6C(=C(O)C=CC6O[C@@]3(O4)[C@@H](C1)O)C(=O)CC5)=CC=C2
Compound: Palmarumycin C12
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14C5=C(O)C=CC(=C5[C@H](O)[C@H]6[C@@H]4O6)O
Compound: Neomaclafungin A
SMILES: O=C1O[C@@H]2[C@@H]([C@@H](O[C@]3(C2)O[C@H]([C@@H](C)CC3)C[C@H](O)C)CC[C@H](C=CC=CCC[C@H]([C@H]([C@H](C[C@H](C[C@H]([C@@H]([C@@H]([C@H](C=C1)C)O)C)O)OC)O)C)O)CC)CCCO
Compound: (6Z)-9'-apo-rhodoxanthinone
SMILES: O=C1C=C(\C(=C/C=C(/C=C/C=C(/C=C/C=C/C(=C/C=C/C(=O)C)/C)\C)\C)\C(C1)(C)C)C
Compound: 4,6-dichloro-3,7-dihydroxy-1,9-dimethyldibenzofuran
SMILES: ClC1=C(O)C=C(C)C2=C1OC=3C(Cl)=C(O)C=C(C23)C
Compound: Kobifuranone A
SMILES: O=C1OCC(C1C(O)C)/C=C/C=C/C
Compound: Frigocyclinone
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC4=C3C(=O)C[C@@](O)(C)C4)[C@@H]5O[C@H]([C@@H](N(C)C)CC5)C
Compound: Cyclo-(L-Phe-L-Leu1-L-Leu2-L-Leu3-L-Ile)
SMILES: O=C1N[C@H](C(=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(C)C)CC2=CC=CC=C2
Compound: Ralfuranone B
SMILES: O=C1OCC(=C1[C@H](O)C2=CC=CC=C2)C3=CC=CC=C3
Compound: Enokipodin F
SMILES: O=C1C=C([C@@]2(C(C(=O)CC2)(C)C)C)CC[C@@]1(O)C
Compound: Anserinone B
SMILES: O=C1C(OC)=CC(=O)C(=C1C[C@@H](O)C)C
Compound: 3,4-dihydro-3,4,8-trihydroxy-1(2H)-naphthalenone
SMILES: O=C1C2=C(O)C=CC=C2[C@@H](O)[C@H](C1)O
Compound: Shengjimycin C2
SMILES: O=C1OC(CC=CC=CC(OC2OC(C(N(C)C)CC2)C)C(CC(C(C(C(C1)OC(=O)C)OC)OC3OC(C(OC4OC(C(OC(=O)CC)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: 6-acetylmonodethiogliotoxin
SMILES: S1[C@@]23N([C@@H]4[C@@H](OC(=O)C)C=CC=C4C2)C([C@]1(N(C)C3=O)CO)=O
Compound: Orirubenone A
SMILES: O=C(O)/C(=C\CC/C(=C/C(=O)C1=C(O)C=C(O)C(=C1)O)/C)/C
Compound: JBIR-54
SMILES: O=C1C=C(NC(C1)C)C(O)(/C=C/C=C/CC)C
Compound: N-trans-cinnamoyl 2-amino-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d]oxazole
SMILES: O=C(NC=1O[C@@H]2CCCCCCCCCC[C@H]2N1)/C=C/C3=CC=CC=C3
Compound: Tenuecyclamide D
SMILES: S(=O)(CC[C@@H]1NC(=O)C=2N=C(CNC(=O)C=3N=C([C@@H](NC(C=4N=C1SC4)=O)C)OC3C)SC2)C
Compound: Marihysin A
SMILES: O=C1N2C(C(=O)NC(CC(=O)NC(C(=O)NC(CC3=CC=C(O)C=C3)C(NC(C(NC(C(NC(C(NC1CCC(=O)N)=O)CC(=O)N)=O)CO)=O)CC(=O)N)=O)CC(=O)N)CCCCCCCCCCC)CCC2
Compound: Lolicine-B 11-O-propionate
SMILES: O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@H]6[C@@]([C@@]45C)(CC[C@H]7[C@@]6(C=O)[C@H](OC(=O)CC)C[C@H](O7)C(O)(C)C)C)C=C2)C[C@@H]8[C@@H]1C(OC8(C)C)(C)C
Compound: Isopimara-8,15-diene
SMILES: C12=C(C[C@](C=C)(C)CC1)CC[C@@H]3[C@@]2(CCCC3(C)C)C
Compound: Oxepinamide C
SMILES: O=C1N2C(=NC3=C1C=C(OC)C=CO3)[C@](OC)(NC([C@H]2C)=O)C(CC)C
Compound: Cochlioquinol II
SMILES: O=C1C2=C(O[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(CC[C@@H](O4)C(O)(C)C)C)C)[C@](O)(CC(=O)C)C(=C1)[C@@H]([C@H](O)[C@H](CC)C)C
Compound: 6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin B
SMILES: O=C1C2=C(O)C3=C(C[C@H](CC(=O)O)O[C@H]3C)C=C2C(=O)C4=C1[C@]5(O)[C@H](O[C@@H]6O[C@H]([C@@H](O)CC6)C)C[C@H]4O[C@@H]5C
Compound: Liposidomycin X-(III)
SMILES: O=C1N(C(C(=O)O)C(OC(=O)CC(OC(=O)CC(CC(=O)O)C)CCCCCCCCCC)CN(C1C(OC2OC(CN)C(C2O)O)C3OC(N4C(=O)NC(=O)C=C4)C(C3O)O)C)C
Compound: 2-(3-oxobutan-2-ylideneamino)benzoic acid
SMILES: O=C(O)C1=C(N=C(C(=O)C)C)C=CC=C1
Compound: (E)-pseudoxylallemycin F
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1CC2=C(O)C=C(OC/C=C/C)C=C2)=O)CC(C)C)C)CC3=CC=C(OCC=C=C)C=C3)CC(C)C)C
Compound: N-acetyl-3-amino-3,6-dideoxy-D-galactose
SMILES: O=C(N[C@H]([C@@H](O)C=O)[C@@H](O)[C@H](O)C)C
Compound: Astellolide E
SMILES: O=C1O[C@H](O)C2=C1CC[C@@H]3[C@@]2(CCC[C@@]3(CO)C)C
Compound: Apramide C
SMILES: S1C(=NC=C1)CN(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](CCCCC=C)C)C)C)C)C(C)C)CCC2)C)C(C)C)C)C(C)C)C)CC3=CC=C(OC)C=C3)C
Compound: Allobeauvericin B
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]1CC2=CC=CC=C2)C)=O)[C@@H](CC)C)=O)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C)[C@@H](CC)C
Compound: Bezerramycin A
SMILES: O=C1C(N)=C(C2=NC=3C=C(CO)C=CC3OC2=C1)C(=O)N
Compound: Saponaroxin C
SMILES: O=C1OC(C(O)C2OC2C3C(C(CC1)=O)=C(C(O)(C(=O)C3(OC)C)C=O)C)C
Compound: Sanguinone A
SMILES: O=C(O)[C@H]1N2C3=C4C(=NCN[C@H]4CC2)C(O)=C5C3=C(C1)C=N5
Compound: Kolokoside A
SMILES: O=C1[C@@]([C@@H](C(=O)O)[C@@]2(CC=C3[C@@H]([C@]2(C1)C)CC[C@@H]4[C@@]3(C[C@@H](O)[C@@H](C4(C)C)O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)C)C)([C@@H](C(C)C)C)C
Compound: Pyrenocine J
SMILES: O=C1OC2=C(CO[C@H](C2)CC)C(=C1)OC
Compound: GGL.4
SMILES: O=C(OC(COC(=O)CCCCCCCCCCC(CC)C)COC1OC(C(O)CO)C(C1O)O)CCCCCCCCCCC(CC)C
Compound: 4-Hydroxybenzoyl 6-Deoxy-alpha-L-talopyranoside
SMILES: O=C(OC1OC(C(O)[C@@H](C1O)O)C)C2=CC=C(O)C=C2
Compound: NW-G03
SMILES: ClC1=CC=2NC3N4C(=O)C5N(NCCC5)C(=O)C(N(C(=O)C6N(NCCC6)C(C7N(C(C(NC(C4CC3(C2C=C1)O)=O)C(C)C)=O)N=CCC7)=O)C)C
Compound: (-)-applanatumol L
SMILES: O=C(OC)[C@@]1([C@H](O)C(=C)[C@H](O)CC1)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Sterenin G
SMILES: O=C(OC1=C(C(O)=C(C=O)C(=C1)C)CC=C(C)C)C2=C(O)C=C(O)C=C2C
Compound: 3R*,4S*-1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione
SMILES: O=C1N(O)C(=O)[C@@H]([C@@H]1C2=CC=C(OCC=C(C)C)C=C2)CC(C)C
Compound: Myxovirescin A1
SMILES: O=C1O[C@H](C(=O)NC[C@@H](O)C[C@H](O)[C@H](O)CCC(=CC=CC(CCCC(CCCC[C@H](C[C@@H]1C)C)=O)CC)COC)CCC
Compound: HS071
SMILES: O=C(OC)C1=C(OC=C1CO)CCCCC
Compound: (2R,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S,3S,4E,6E,8S,9S)-1-[[(1R)-1-carboxy-4-[[3-[[(1R)-1-carboxyethyl]amino]-3-oxoprop-1-en-2-yl]-methylamino]-4-oxobutyl]amino]-9-methoxy-2,6,8-trimethyl-1-oxo-10-phenyldeca-4,6-dien-3-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-4-oxobutanoic acid
SMILES: O=C(N[C@@H](C(=O)O)C)C(N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](N)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@@H]([C@@H](OC)CC1=CC=CC=C1)C)/C)C)C(=O)O)C)=C
Compound: Pimara-7,15-dien-3-beta-ol diterpene
SMILES: O[C@@H]1C([C@H]2[C@](C3C(C[C@@](C=C)(C)CC3)=CC2)(C)CC1)(C)C
Compound: (+/-)-hemi-oxanthromicin A
SMILES: O=C1C2=C(O)C(=CC=C2[C@@](O)(C)C3=C1C(=C(C(=O)O)C(=C3)O)C)C
Compound: Monaphilone C
SMILES: O=C1C(=C(C[C@H]([C@]1(O)C)CC(=O)CCCCC)CC(=O)CCC)C
Compound: 7-Hydroxy-8-methoxytrypethelone
SMILES: O=C1C2=C(OC)C(O)=CC(=C2C=3O[C@H](C(C3C1=O)(C)C)C)C
Compound: (E)-lowdenic acid
SMILES: O=C/1O[C@@H](CC(=O)O)C(\C1=C\2/O[C@@](CCC[C@H](CCCCCCCCCC)C)(C)C=C2)=O
Compound: Epothilone C4
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)CCCCC=CC2)C)(C)C)\C)C
Compound: Decaspirone G
SMILES: O=C1C=C[C@@H](O)[C@@H]2[C@@H]1[C@@H](O)C=CC23OC=4C=5C(C=CC4)=CC=CC5O3
Compound: Pterulamide VI
SMILES: O=C(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)O)C(C)C)C)[C@H](CC)C)C)C(C)C)C(C)C)C)C(C)C)C)C(C)C)C)C1=CC=CC=C1
Compound: Pestalotiopyrone I
SMILES: O=C1OC(/C(=C/C(=O)OC[C@H](O)CO)/C)=CC(=C1)OC
Compound: Sordarin-1-glucose ester
SMILES: O=C(OC1OC(C(O)C(C1O)O)CO)C23C(=CC4C2(C[C@H]5[C@H](C3(C=O)C4)CC[C@H]5C)COC6OC(C(OC)C(C6O)O)C)C(C)C
Compound: Daldinone B
SMILES: O=C1[C@@H](O)C2=C(O)C=C3C=4C=CC(=C5C4C(C3=C2[C@@H]6[C@H]1O6)=CC=C5O)O
Compound: 12-methyl-cis-4-tetradecenoic acid
SMILES: O=C(O)CC/C=C/CCCCCC[C@H](CC)C
Compound: Asteromine
SMILES: O=C1OC(CC=2C1=C(OC)C3=C(O)C=C(OC)C(=C3C2)C4=C(OC)C=C(O)C=5C4=CC=6CC(CC(=O)O)OC(C6C5OC)=O)CC(=O)O
Compound: Variecolorin I
SMILES: O=C/1N[C@@](OC)(C(=O)N\C1=C/C=2C3=C(C=CC(=C3)CC=C(C)C)NC2C(C=C)(C)C)C
Compound: 17-hydroxy-N-(O-methyl)septoriamycin A
SMILES: O=C1N(OC)C=C(C2=CC=CC=C2)C(=C1[C@@H]3O[C@@H]([C@@H](C)C[C@H]3C)[C@H](CO)CC)O
Compound: Avenaciolid 4
SMILES: O=C1O[C@H](CCCCCCCC)[C@@H]2[C@H]1OC(=O)[C@H]2C
Compound: Kerriamycin A
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O[C@@H]5O[C@H]([C@@H](O)CC5)C)C(=O)C[C@@](O)(C)C4)O)[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](O)C(C8)=O)C)CC7)C)C
Compound: Curtisian Q
SMILES: O=C(OC1=C(O)C(=C(OC(=O)CCC2=CC=CC=C2)C(=C1C3=CC=C(O)C=C3)O)C4=CC=C(O)C=C4)C5=CC=CC=C5
Compound: Isoharziandione
SMILES: O=C1C2C(C3(CCC(C)=C4C(C3C2)(C(=O)C4)C)C(C1)C)(C)C
Compound: Paneolic acid
SMILES: O=C1C(=C2[C@@H](C[C@@](C2)(C(=O)O)C)C[C@@]1(C(=O)C)C)C
Compound: Indoxamycin F
SMILES: O=C(O)/C=C/[C@@]1([C@H](O)C(=C)[C@@H]2O[C@@H]([C@]3([C@@]2([C@@H]1C(=C3)C)C)C)/C(=C\C)/C)C
Compound: 20,26-dihydroxyecdysone
SMILES: [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)[C@H](O)CCC(C)(O)CO
Compound: (9R,10S)-7-Desoxy-z-rhodomycinone
SMILES: O=C1C2=C(O)C3=C([C@H](C(=O)OC)[C@@](O)(CC)CC3)C(=C2C(=O)C=4C1=C(O)C=CC4)O
Compound: 4,4'-dimethoxyvulpinic acid
SMILES: O=C1O/C(=C(\C2=CC=C(OC)C=C2)/C(=O)OC)/C(=C1C3=CC=C(OC)C=C3)O
Compound: Guineamide F
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)N2[C@H](C(=O)N([C@H](C(NCC(OC(C1(C)C)CCC)=O)=O)CC3=CC=CC=C3)C)CCC2)CC4=CC=CC=C4)C)C(C)C
Compound: Divercin V41
SMILES: S(SC)CC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)[C@@H](O)C)CCCCN)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)CC(=O)N)C(C)C)CC3=CC=C(O)C=C3)C(=O)NC
Compound: Tricycloalternarene D
SMILES: O=C1C2=C(O[C@]3(CC=C([C@H]3C2)C(CCCC(OCC(=O)C)C)C)C)CC[C@@H]1O
Compound: (-)-applanatumol G
SMILES: O=C1OC[C@@]2([C@]1(CC[C@@H]2OCC)CC(=O)C3=C(O)C=CC(=C3)O)C(OC)OC
Compound: Haplofungin C
SMILES: O=C(OC)C(O)C(O)C(OC(=O)C(C(=O)/C(=C/C(CC(CCCCC(O)CCCCCCCCCCC)C)C)/C)C)CO
Compound: 19-(2-acetamido-2-deoxy-alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3beta-ol
SMILES: O=C(N[C@H]1[C@H](O[C@H](CO)[C@H]([C@@H]1O)O)OC[C@]2([C@@H](O)CC[C@]3([C@H]2CC=C4[C@@H]3CC[C@@](C4)(C=C)C)C)C)C
Compound: [Ile7]-surfactin
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)O)CCCCCCCCCC(C)C
Compound: CR377
SMILES: O=C1OC(C(=C)C(=C1C(=O)C(CC)C)O)C
Compound: N-methylwelwitindolinone D isonitrile
SMILES: O=C1[C@@](C=C)([C@@]2([N+]#[C-])C3=C4C(=CC=C3)N(C([C@]54O[C@@H]1[C@H](C5(C)C)C2=O)=O)C)C
Compound: Cochleamycin B
SMILES: O=C1O[C@@H]2CC([C@@]13C(C[C@@H]4C=C[C@@H]5[C@H]([C@@H]4C3)C[C@@H](C)[C@H]5OC(=O)C)C2)=O
Compound: Colobetaolactone VI
SMILES: O=C(O)/C(=C\C[C@@H](OC(=O)C)[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]([C@H](C(O)(C)C)CC3)(COC(=O)C)CCC(=O)OC)=CC2)(C)CC1)C)C)/C
Compound: Mariline C
SMILES: O=C1N[C@@H](C)C=2C1=C(OC)C(=C(O)C2)C
Compound: Ganoleuconin O
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC[C@H](OC(=O)/C(=C/CC5=C(O)C=CC(=C5)O)/CC/C=C(/CCC=C(C)C)\C)[C@](O)(CO)C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Thiomuracin A
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](C4OC4)C)C5=NC(C6=NC(C7=C(C8=NC(C(N[C@H]2CC(=O)N)=O)=CS8)C=CC(=N7)C=9SC=C(N9)C(=O)NC(C(=O)NC(C(=O)O)=C)=C)=CS6)=CS5)CC%10=CC=C(O)C=C%10)[C@H](O)C%11=CC=CC=C%11
Compound: FR220897
SMILES: S(=O)(=O)(OC1=C(O)C=C(CC(O)C2NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)CCCCCCCCCCCCCCC)CC(C(NC(C4N(C(C(NC2=O)C(O)CC(=O)N)=O)CC(C)C4O)=O)O)O)C(O)C)CC(C3)O)C=C1)O
Compound: Anthcolorin A
SMILES: O=C1N(C=2C=CC=CC2[C@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@]5([C@@H](O[C@H](C(O)(C)C)CC5)CC4)C)CC3)C)C(C=C)(C)C
Compound: Isobutyrolactone II
SMILES: O=C1O[C@](OC)(CC2=CC=C(O)C=C2)C(=C1O)C3=CC=C(O)C=C3
Compound: Thermolide D
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](O)C[C@@H](O)C)C)C)C
Compound: Antimycin A3
SMILES: O=C1O[C@@H]([C@@H](OC(=O)CC(C)C)[C@H](CCCC)C(O[C@H]([C@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Macquarimicin A
SMILES: O=C1O[C@@H]2C[C@H](O)C[C@@H]3[C@H](C=C1C(=O)C2)[C@@H]4[C@@H](C(=O)[C@@H](C4)C)C=C3
Compound: Chrondramide 7C
SMILES: BrC1=C(O)C=CC(=C1)C2NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](C)CC(=C[C@@H]([C@H](OC([C@H]2OC)=O)C)C)C)C)C)CC=3C4=C(C=CC=C4)NC3
Compound: Herbaric acid
SMILES: O=C1O[C@@H](CC(=O)O)C=2C1=C(O)C=C(O)C2
Compound: (-)-monascumic acid
SMILES: O=C(O)[C@@]1(N[C@@](C(=O)O)(C)C1)CC(C)C
Compound: Panepophenanthrin
SMILES: O=C1C2=C[C@H]3[C@@]4(/C=C/C(O)(C)C)[C@](O)([C@@H]5[C@H]([C@@H]([C@H]4[C@@H]2[C@@H](O)[C@H]6[C@@H]1O6)O)O5)OC3(C)C
Compound: Ammocidin D
SMILES: O=C1OC(C(C2(OC(C(O)(C)C(C2OC)O)CCCOC)O)C)CC(C(O)C=C(C=C(C=C(C(C(C=C(C=C(C=C1C)OC)C)C)OC3OC(C(O)C(C3O)O)C)C)C)C)C
Compound: 1,2-dehydrovirgineone
SMILES: O=C1N=C(CC2=CC=C(O)C=C2)C(=C1C(=O)C(CCCCCCCCC(=O)CCCCCCCCC[C@@H](O)CO[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C)O
Compound: Cordytropolone
SMILES: O=C1C(O)=CC=2COCC2C(=C1)O
Compound: Myrothecol B
SMILES: O=C1C=C([C@@H](O)[C@H]2[C@@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCC[C@]4(CO)C)C)CO
Compound: N-[(6S,7S)-3-Butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-3-formamido-2-hydroxybenzamide
SMILES: O=C1O[C@H]([C@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)C(=O)OC(C(CC)C)C(OC(C(C1(C)C)=O)CC(C)C)=O)C
Compound: Roseorubicin B
SMILES: O=C1C2=C(O)C3=C(C(OC4OC(C(OC5OC(C(O)C(C5)N(C)C)C)C(C4)N(C)C)C)C(O)(CC)CC3)C(=C2C(=O)C=6C1=C(O)C=CC6)O
Compound: Antrocamol LT2
SMILES: O=C1C(OC)=C(OC)[C@H](OC(=O)C)[C@@H]([C@H]1C)CC=C(CCC=C(C[C@H](O)C=C(C)C)C)C
Compound: Dinemasone A
SMILES: O=C1[C@@H](O)[C@@H](O[C@]2(C1)O[C@@H](CC[C@@H]2O)C)C
Compound: Mariline A1
SMILES: O=C1N(C2=C(OCC=C(C)C)C=C(OC)C=C2)[C@H](C)C=3C1=C(OC)C(=C(OC/C=C(/CCC=C(C)C)\C)C3)C
Compound: Poronitin A
SMILES: O=C1C(C(=O)NC(=O)CC(C)C)=COC(=C1)/C=C/CC/C=C/C=C/C(=O)O
Compound: Destruxin-A4 chlorohydrin
SMILES: ClCC(O)CC1OC(=O)CCNC(=O)C(N(C(=O)C(N(C(C(NC([C@H]2N(C1=O)CCC2)=O)C(CC)C)=O)C)C(CC)C)C)C
Compound: WS-7338 D
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)C(C)C
Compound: Aspochalamin C
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCCC(C(C1)NC4=C(C(=O)N[C@@H](C(=O)N/C=C/C=5C6=C(C=CC=C6)NC5)C)C=CC=C4)O)C)C)CC(C)C
Compound: (4aS,5R,6S)-4a,5-dihydroxy-3-(methoxymethyl)-6-vinyl-4a,5,6,7-tetrahydro-4H-chromen-4-one
SMILES: O=C1C(=COC=2[C@@]1(O)[C@H](O)[C@H](C=C)CC2)COC
Compound: CJ-13,108
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC(=O)C)C=2C1=C(OC)C=C(OC)C2
Compound: Tetrapetalone C
SMILES: O=C1C=C2N3C(=O)[C@@](O)(C)C([C@@]3(C=C([C@H]4[C@]2(O)C(=C1)[C@@H](O[C@@H]5O[C@@H]([C@H](O)CC5)C)[C@@H]4C)C)CC)=O
Compound: Antrocamol LT1
SMILES: O=C1C(OC)=C(OC)[C@H](O)[C@@H]([C@H]1C)CC=C(CCC=C(C[C@H](O)C=C(C)C)C)C
Compound: KS-504B
SMILES: ClC(Cl)=C1C(Cl)(Cl)C(O)C(C12OC2Cl)(Cl)Cl
Compound: Eutypellone A
SMILES: O=C1[C@H](O)C2=C(CC[C@@]([C@@H]2O)(C=C)C)[C@@]3([C@@H]1C(CC[C@H]3O)(C)C)C
Compound: 2,3-dihydroxy-N-benzoylserine dimer
SMILES: O=C(N[C@H](C(=O)O)COC(=O)[C@@H](NC(=O)C1=C(O)C(O)=CC=C1)CO)C2=C(O)C(O)=CC=C2
Compound: Okaramine B
SMILES: O=C1N2[C@@](O)(C(=O)N3C1=CC=4C5=C(C=CC=C5)NC4C(C=C3)(C)C)[C@@H](OC)[C@@]6([C@@]27N(C=8C=CC=CC68)C(C)(C)[C@H]7C)O
Compound: Ergobine
SMILES: O=C1N2[C@H]([C@@]3(O[C@](C(N3[C@H]1CC)=O)(NC(=O)[C@@H]4C=C5C6=C7C(NC=C7C[C@H]5N(C4)C)=CC=C6)C)O)CCC2
Compound: N-hydroxymethyl pretubulysin
SMILES: S1C(=NC(=C1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C[C@@H](C(=O)O)C)CC[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]3N(CCCC3)C)[C@H](CC)C)CO)C(C)C
Compound: Pestalol D
SMILES: O=CC1=C(O)C=CC=C1C=CCCC[C@@H](O)C
Compound: Malyngamide V
SMILES: O=C1C(=CC[C@@H]([C@@H]1[C@@H](OC)CNC(=O)CC/C=C/C[C@H](OC)CCCCC)O)C
Compound: Enniatin J1
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)C)C)C(C)C)C(C)C)C)C(C)C
Compound: Penilumamide
SMILES: S(=O)(CC[C@H](NC(=O)C1=NC=2C(=O)N(C(=O)N(C2N=C1)C)C)C(=O)NC3=C(C(=O)OC)C=CC=C3)C
Compound: Cryptophycin 24
SMILES: O=C1N[C@@H](C(=O)NCCC(=O)O[C@H](C(O[C@@H](CC=C1)[C@@H]([C@H]2O[C@@H]2C3=CC=CC=C3)C)=O)CC(C)C)CC4=CC=C(OC)C=C4
Compound: Nigrodiquinone A
SMILES: O=C1C2=C(O)C3=C([C@H](O)[C@@H](O)[C@](C3)(O)C)C=C2C(=O)C=C1[C@H]4C5=C(O)C(OC)=CC(=C5C(=O)[C@H]6[C@@H]4C[C@@](O)(C)[C@@H](C6)O)O
Compound: Diaporol A
SMILES: O=C1O[C@@]2([C@](C3=C(C(=O)OC3)CC2)(C)CC1)C(O)(C)C
Compound: Cladospolide B
SMILES: O=C1O[C@@H](CCCCC[C@@H]([C@H](C=C1)O)O)C
Compound: (2S)-3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-(palmitoyloxy)propyl 6-deoxy-2,3-di-O-palmitoyl-6-sulfo-alpha-D-glucopyranoside
SMILES: S(=O)(=O)(O)CC1OC(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(OC(=O)CCCCCCCCCCCCCCC)C(C1O)OC(=O)CCCCCCCCCCCCCCC
Compound: Thelephantin E
SMILES: O=C(OC1=C(O)C(=C(OC(=O)CC2=CC=CC=C2)C(=C1C3=CC=C(O)C=C3)O)C4=CC=C(O)C=C4)C5=CC=CC=C5
Compound: (22S)-moretan-29-ol
SMILES: OC[C@H](C1[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
Compound: 20-hydroxyecdysone 22-phosphate
SMILES: [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)[C@@H](CCC(C)(C)O)OP(O)(O)=O
Compound: (3R),(6R)-6-hydroxy-de-O-methyllasiodiplodin
SMILES: O=C1O[C@@H](CC[C@@H](O)CCCCC=2C1=C(O)C=C(O)C2)C
Compound: TCA 11a
SMILES: O=C1C2=C(O[C@@]3(CC=C([C@@H]3C2)C(CC/C=C(/C(=O)O)\C)C)C)[C@@H](O)CC1
Compound: Citreoanthrasteroide A
SMILES: O=C1C2=C(C=C3CC[C@@H](CC3=C2C)O)[C@@H]4CC[C@@H]([C@]4(C1)C)[C@@H](/C=C/[C@@H](C(C)C)C)C
Compound: HS-B
SMILES: O=C(O[C@H]1[C@H](OC(=O)C)C(C2CCC3=C([C@]2(C1)C)C[C@H](O)[C@]4([C@]3(CC[C@@H]4C5[C@@H](O[C@@H](C(O)(C)C)CC5)OC(=O)C)C)C)(C)C)CC(O)(CC(=O)O)C
Compound: Demethylasterriquinone B1
SMILES: O=C1C(O)=C(C(=O)C(=C1C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)O)C=4C5=C(C(=CC=C5)CC=C(C)C)NC4
Compound: Teleocidin B-2
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1C(C)C)C)C=C4[C@@](C(C)C)(CC[C@](C34)(C=C)C)C)CO
Compound: Expansolide A
SMILES: O=C1O[C@]2(OC[C@@]3(C2)C4C(=C)[C@H](OC(=O)C)C[C@@H]3C4)C[C@H]1C
Compound: 23-hydroxyganoderic acid S
SMILES: O=C(O)C(=CC(O)C[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4(C(C(C(O)CC4)(C)C)CC3)C)=CC2)(C)CC1)C)C)C
Compound: Memnoconol
SMILES: O=C1OCC2=C1C=C(O)C(=C2O)C/C=C(/CC/C=C(/CC[C@H](O)C(O)(C)C)\C)\C
Compound: Serratiomycin
SMILES: O=C1O[C@@H](CC(=O)N[C@@H](C(=O)N[C@H](CO)C(N[C@@H](C(N[C@H](C(N[C@H]1C(CC)C)=O)CC2=CC=CC=C2)=O)[C@@H](O)C)=O)CC(C)C)CCCCCCC
Compound: Tenellone B
SMILES: O=C(C1=C(C(O)=CC=C1CC=C(C)C)C=O)C2=C3O[C@H](C(O)(C)C)COC3=CC(=C2)C
Compound: Lucentide B
SMILES: O=C1O[C@](C(O)C(O)(CCC)C)(C)C[C@H]1C
Compound: 1-acetoxy-N-salicyloyl-2-aminopropan-3-ol
SMILES: O=C(N[C@H](COC(=O)C)CO)C1=C(O)C=CC=C1
Compound: Fusarielin C
SMILES: O1[C@@]2(C[C@H]3C=C(C)[C@H]([C@H]([C@@H]3C[C@H]12)/C=C/C=C(/[C@@H](O)[C@H](CO)C)\C)/C(=C/C)/C)C
Compound: Gloeophyllin I
SMILES: O=C1C2=C([C@]3(CC[C@@H]([C@]([C@@H]3C1)(C(=O)O)C)O)C)C[C@@H](OC(=O)C)[C@]4(O[C@]2(O)CC[C@@H]4[C@@H](CCC(=C)C(C)C)C)C
Compound: (+)-(3S,6S,7R,8S)-periconone A
SMILES: O=C1C2=C([C@@H](O)[C@H]([C@H]1CC=C(C)C)O)COCC[C@H]2O
Compound: Penioxalamine A
SMILES: O=C1N[C@]23[C@@H](C(C)(C)[C@]4(C2)C(=O)N5C[C@]6(O[C@H]6CC=7C5=C4C=CC7)C)C[C@]18N(CCCC8)C3
Compound: Bisordariol B
SMILES: O(CC1=C(O)C=CC(=C1/C=C/[C@@H](O)[C@@H](O)C)CC2=C(O)C=CC=C2/C=C/[C@@H](O)[C@@H](O)C)C
Compound: 12beta-hydroxyverruculogen TR-2
SMILES: O=C1N2[C@H](C(=O)N3[C@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)NC4[C@@H]3CC(O)(C)C)CCC2
Compound: Anabaenopeptin C
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)N[C@@H](C(=O)O)CCCCN)CC3=CC=CC=C3)C)C
Compound: Cladobotric acid C
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)CO)C)[C@]3(O[C@@H]3[C@@H](CC)C)C
Compound: 2-O-Methylatromentin
SMILES: O=C1C(OC)=C(C(=O)C(=C1C2=CC=C(O)C=C2)O)C3=CC=C(O)C=C3
Compound: 2,5,7-trihydroxy-4-(3'-methylbut-2'-en-1'-yl)oxy-2H-naphtho[1,8-bc]furan-9-one
SMILES: O=C1OC=2C(O)=CC(=C3C2C1=C(O)C=C3OCC=C(C)C)O
Compound: Halawanone C
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=CC(=C3)O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)O)C)C
Compound: Dendrodochol B
SMILES: O[C@@H]1[C@H](O)[C@@H]([C@@H](/C=C/C=C/C=C/C)C[C@H]1O)CO
Compound: Panglimycin D
SMILES: O=C1C2=C(C(O)=CC=C2)[C@H](O)[C@]3([C@@H]1C4=C([C@@H](O)[C@H](C)CC4=O)C5C3O5)O
Compound: Pestalotiopyrone G
SMILES: O=C1OC(/C(=C\C)/C)=CC(=C1)OC
Compound: Credneramide B
SMILES: Cl/C=C(/C/C=C/CCC(=O)NCCC(C)C)\CCC
Compound: Fusaricidin B
SMILES: O=C1OC([C@H](NC(=O)CC(O)CCCCCCCCCCCCN=C(N)N)C(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(N[C@@H](C(N[C@@H](C(N[C@@H]1C)=O)CCC(=O)N)=O)[C@@H](O)C)=O)C(C)C)C
Compound: Sch 38512
SMILES: O=C1NCCCC(C(OC2OC(C(O)C(C2O)N)C)CCC(CCCC1CC)C)C
Compound: 3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide
SMILES: O=C(NCCC(=N)N)C1CC(N)CC1
Compound: Thuricin 439A
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CC=1C2=C(C=CC=C2)NC1)C(C)C)C)C(=O)N[C@H](C(=O)NCC(=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)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)C(C)C)C(C)C)CO)C)CC(C)C)C(C)C)C(C)C)[C@H](O)C)CS)C)C(C)C
Compound: 4-(Chloromethylene)-1,2,3,4-tetrahydro-8-methylquinoline-6-yl 2-O,4-O-dimethyl-beta-D-xylopyranoside
SMILES: Cl/C=C\1/C2=C(NCC1)C(=CC(=C2)O[C@@H]3OC[C@@H](OC)[C@@H]([C@H]3OC)O)C
Compound: Ochroleucin A1
SMILES: O=C1OC=2C(C#CC(=C)C)=CC(=C(C2[C@]13C(=O)C(C#CC(=C)C)=CC3=O)C=O)O
Compound: 13-(S)-hydroxy-N-(O-methyl)septoriamycin A
SMILES: O=C1N(OC)C=C(C2=CC=CC=C2)C(=C1[C@@H]3O[C@@H]([C@@H](C)C[C@H]3C)[C@@H]([C@@H](O)C)C)O
Compound: K1115 A
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=C(C(=O)O)C(=C3)O)CCC
Compound: Micropeptin 88-Y
SMILES: O=C1O[C@@H]([C@H](NC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)C)CC2=CC=C(O)C=C2)C(=O)O)C(=O)N[C@H](C(=O)N[C@H]3CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC4=CC=CC=C4)C)=O)C(C)C)C3=O)O)CC5=CC=C(O)C=C5)C
Compound: Dehydrocineromycin B
SMILES: O=C1O[C@@H]([C@H](CCC=C(C)C(C=C[C@](C=C1)(O)C)=O)C)C
Compound: (2E,10Z,13Z)-2-[(Z)-pentadec-6-enyl]nonadeca-2,10,13-trienal
SMILES: O=C/C(=C/CCCCCC/C=C\C/C=C\CCCCC)/CCCCC/C=C\CCCCCCCC
Compound: Leptosin M1
SMILES: S1S[C@@]23N([C@H]4NC=5C=CC=CC5C4([C@@H]2O)[C@]67C8=C(C=CC=C8)N[C@H]6N9C(=O)[C@H](CO)N(C([C@]9([C@H]7O)OC)=O)C)C([C@]1(N(C)C3=O)C(C)C)=O
Compound: YF-044-P-D
SMILES: O=C(NC(C(=O)NC(C(O)CC(=O)NC(C(=O)NC(C(O)CC(=O)O)CC1=CC=CC=C1)C)CC2=CC=CC=C2)C(C)C)C(NC(=O)CC3=CC=CC=C3)C(C)C
Compound: Methoxyvermistatin
SMILES: O=C1C(OC)=C(OC=C1[C@@H]2OC(=O)C=3C2=C(OC)C=C(OC)C3)/C=C/C
Compound: Epicoccin G
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: Hirsutellone B
SMILES: O=C1[C@H]2[C@H](C=C[C@@H]3[C@@H]2[C@@H](OC4=CC=C(C[C@]5(C[C@@H]1C(=O)N5)O)C=C4)[C@@H]6CC[C@H](C[C@@H]36)C)C=C
Compound: Gentamicin B
SMILES: O1[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@@](O)(C)[C@@H]([C@H]3O)NC)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]([C@H]1CN)O
Compound: Dihydrotrichotetronine
SMILES: O=C1/C(=C(\O)/C=C/C=C/C)/[C@H]2C(O)(C)C([C@@]1([C@H](C(=O)CC/C=C/C)[C@H]2[C@@]3(OC(=O)C(=C3O)C)C)C)=O
Compound: Phaeosphaerin C
SMILES: O=C1C=2C=3C(=C4C5=C(C(O)=C(C6=C5C3[C@]([C@@H]6C(=O)C)(CC(O)C)[C@@H](C2O)OC)OC)C(=O)C=C4OC)C(=C1)OC
Compound: (-)-Ternatin
SMILES: O=C1N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(N([C@@H](C(N[C@@H](C(N[C@@H]1[C@H](CC)C)=O)[C@H](O)C(C)C)=O)C)C)=O)C)CC(C)C)CC(C)C)C)C)C
Compound: Xylariolide D
SMILES: O=C1OC(=C([C@@H](O)CCC)C=C1)C
Compound: Cabanillasin
SMILES: O=C(NC(=NCCCCN=C(NCCCCN=C(NCCCCNC(=NCCCCN)N)N)N)N)C
Compound: 22-deoxy-20,21-dihydroxyecdysone
SMILES: [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@](O)(CO)CCCC(C)(C)O
Compound: Monascusazaphilone C
SMILES: O=C1C=C2C(=COC(=C2)CC(OC(=O)C)C)[C@@H]3[C@]1(OC(=O)C3C(=O)CCCCC)C
Compound: Shengjimycin E
SMILES: O=C1O[C@@H](CC=CC=CC(OC2OC(C(N(C)C)CC2)C)[C@@H](C[C@@H]([C@@H]([C@H](C(C1)O)OC)OC3OC(C(OC4OC(C(OC(=O)CC(C)C)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: Brevicompanine E
SMILES: O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)N[C@H]1CC(C)C)C(=O)CC
Compound: Trans-6-hydroxymethyl-3-methyl-7-oxo-undecan-4-olide
SMILES: O=C1O[C@@H](CC(C(=O)CCCCC)CO)[C@@H](C1)C
Compound: Dendryphiellin E1
SMILES: O=C1C=C2C=C[C@H](OC(=O)/C=C/C=C/[C@H](CC)C)[C@@H]([C@@]2(C)CC1C(=C)C)C
Compound: Xentrivalpeptide O
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CC2=CC=CC=C2)C(C)C)C(=O)N[C@@H](C(=O)N3[C@@H](CCC3)C(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CC)=O)C(C)C)=O)CC4=CC=CC=C4)C
Compound: Actinoramide B
SMILES: O=C1N(C(=O)C)CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@@H](NC(=O)[C@H]2N(NCCC2)C(=O)[C@H](NC(=O)COC)[C@H](O)C(C)C)CC3=CC=CC=C3)C
Compound: Thailandamide lactone
SMILES: O=C1O[C@](/C=C/C=C/C(=C/C=C/C(/O)=C/C(=O)/C=C/C=C(/C=C/C(NC(=O)C(C/C=C/CC(O)CC2=CC=C(O)C=C2)C)C)\C)/C)(C)[C@H]([C@H]1C)OC
Compound: Pestalotiopin C
SMILES: O=C1OC2=C[C@]3(O)[C@H](OC(=O)[C@@H]([C@H](O)/C(=C/C(COC(=O)C)CCCCCC)/C)C)CC[C@@H]([C@]3(CC2=C1C)C)C
Compound: (3S),(6R)-6-hydroxylasiodiplodin
SMILES: O=C1O[C@H](CC[C@H](O)CCCCC=2C1=C(OC)C=C(O)C2)C
Compound: Stagonolide D
SMILES: O=C1O[C@H]([C@H]2O[C@H]2C=C[C@H](CC1)O)C
Compound: Circumdatin L
SMILES: O=C1N[C@H](C2=NC=3OC=CC=CC3C(N2C4=C1C=CC=C4)=O)C
Compound: Cladionol A
SMILES: O=C(OC[C@@H](O)[C@H](O)[C@H](O)CO)C(C(O)/C(=C/C(C(O)/C(=C/C(C(O)/C(=C/C(C(O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)COC(=O)C)C(CC(CC(CC)C)C)C)C)/C)C)/C)C)/C)C
Compound: Eulatachromene
SMILES: O1C2=C(C=C(CO)C=C2)C=CC1(C)C
Compound: [D-Asp3,(Z)-Dhb7]Microcystin-LR
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N\C1=C/C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCC(C)C)C
Compound: Papupyrrolal
SMILES: O=CC=1NC(COCCC2=CC=C(OC)C=C2)=CC1
Compound: Cordyanhydride A
SMILES: O=C1OC(=O)C(=C1/C=C/CC)C[C@H](CC=2C(=O)OC(C2CCC(=O)O)=O)CC
Compound: 19-s-methylgeldanamycin
SMILES: S(C1=C2NC(=O)C(=CC=C[C@H](OC)[C@@H](OC(=O)N)C(C)=C[C@@H]([C@H]([C@H](C[C@@H](CC(C2=O)=C(C1=O)OC)C)OC)O)C)C)C
Compound: Pyranonigrin S
SMILES: O=C1C(O)=C(OC2=C1C(=O)NC2)/C=C/C
Compound: Malfilamentoside B
SMILES: O=C1OC(OC2O[C@@H]([C@@H](O)[C@@H]([C@H]2NC(=O)C)O)COC)C(=C1C3=CC=CC=C3)C(O)C4=CC=CC=C4
Compound: Fischambiguine A
SMILES: O[C@]12C=3C4=C5C=CC=C4NC3C(C)(C)C([C@]1([N+]#[C-])[C@@](C=C)(CC[C@@H]2C5(C)C)C)=C
Compound: 4-methyl-24-methylene-5alpha-cholest-8(9)-en-12beta-acetoxy-3beta-ol-29-oic acid
SMILES: O=C(O)[C@@]1([C@@H](O)CC[C@]2([C@H]1CCC3=C2C[C@@H](OC(=O)C)[C@]4([C@H]3CC[C@@H]4C(CCC(=C)C(C)C)C)C)C)C
Compound: Yokonolide A
SMILES: O=C1O[C@@H]2[C@@H]([C@@H](O[C@]3(C2)O[C@H](CCC3)C[C@H](O)CC)C[C@H](O)[C@H](C=CCCC[C@@H]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@](C=C1)(O)C)O)C)O)O[C@@H]4O[C@H]([C@@H](N(C)C)[C@H](C4)O)C)O)C)C[C@@H](CO)C)C
Compound: (+)-(10E,15R)-12-hydroxy-10,11-dehydrocurvularin
SMILES: O=C1C2=C(O)C=C(O)C=C2CC(=O)O[C@H](C)CCC(C=C1)O
Compound: Dihydropyrenophorin
SMILES: O=C1O[C@@H](CC[C@H](OC(=O)C)C=CC(=O)O[C@@H](CCC(C=C1)=O)C)C
Compound: Guineamide E
SMILES: O=C1O[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N2[C@@H](CCC2)C(N([C@@H](C(NCC(OC(C1(C)C)CCC)=O)=O)CC3=CC=CC=C3)C)=O)C(C)C)C)C)C(C)C
Compound: Marinisporolide A
SMILES: O=C(/C(=C/C=C/C=C/C=C/C=C/C[C@H]1O[C@@]2(OC(/C=C/C[C@@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)[C@@H]([C@@H](O)C(C)C)C)C[C@H](C2)O)C[C@H](C1)O)/C)C
Compound: Marinopyrone C
SMILES: O=C1OC(=C(C)C(=C1C)OC)/C=C/[C@H](CCO)C
Compound: 3,4-bis(4-hydroxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILES: O=C1N(C(=O)C(=C1C2=CC=C(O)C=C2)C3=CC=C(O)C=C3)CCC4=CC=CC=C4
Compound: Nigrosphaerin A
SMILES: O=C1OC(=C(O)C=2C1=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C2)C4=CC(O)=C(O)C=C4
Compound: Melithiazol C
SMILES: S1C(=NC(=C1)/C=C/C(OC)C(/C(/OC)=C\C(=O)OC)C)C=2N=C(C(=O)C)SC2
Compound: Metatacarboline G
SMILES: O=C(N[C@H](C(=O)O)[C@H](CC)C)C1=NC(=C2NC3=C(C2=C1)C=CC=C3)CCC(=O)N4[C@H](C(=O)O)CCC4
Compound: 13-hydroxy-marasm-7(8)-en-5-methoxy gamma-acetal
SMILES: O1[C@H](OC)[C@@]23[C@]([C@H]4CC(C)(C)C[C@H]4C=C2C1)(C)C3
Compound: Polytolypin
SMILES: O=C(O)[C@]12[C@H](O)[C@@H](O)[C@H](O)[C@]([C@@H]1CC=C3[C@@H]2CC[C@@]4([C@@]3(CC[C@]5([C@H]4CC[C@@H]5C(C)C)C)C)C)(C(=O)O)C
Compound: Gageomacrolactin 2
SMILES: O=C1O[C@@H](CCCC=CC=C[C@H](OC)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O[C@H]2O[C@H]([C@H](O)[C@H]([C@@H]2O)O)CO)C
Compound: Biverlactone C
SMILES: O=C1O[C@@H]([C@@H](O)/C(=C/C(CCCCCC)C)/C)C=C1/C=C/C(=O)O
Compound: 8-n-Pentanoylneosolaniol
SMILES: O=C(O[C@@H]1C(=C[C@H]2O[C@H]3[C@@]4([C@]([C@]2(C1)COC(=O)C)([C@H](OC(=O)C)[C@H]3O)C)OC4)C)CCCC
Compound: Auriculamide
SMILES: ClC1=C(O)C=CC(=C1)C[C@H](NC(=O)[C@@H](O)[C@H](CC)C)C(=O)CC
Compound: Isosativenediol
SMILES: OC1C2C(=C)C3(C1C([C@@H](C(C)C)CC3)C2O)C
Compound: Deschloro 12-epi-fischerindole W nitrile
SMILES: N#C[C@H]1C2=C(C=C(C)C3=C2C4=C(C=CC=C4)N3)CC[C@]1(C=C)C
Compound: Drechslerine C
SMILES: O=C1[C@H]2[C@@H](C(C)C)CC[C@]([C@H]1CO)(C)C2C
Compound: Bromodiiodomethane
SMILES: IC(I)Br
Compound: 6-Methoxy-8<2'-methoxy-4'(3''-methyl-2''-butenyl)phenoxy>2,2-dimethylchromene
SMILES: O1C2=C(OC3=C(OC)C=C(CC=C(C)C)C=C3)C=C(OC)C=C2C=CC1(C)C
Compound: Bacitracin B3
SMILES: S1C(=N[C@@H](C1)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC([C@H](NC([C@@H](NC([C@H](NC2=O)CCCN)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)=O)CC=4NC=NC4)CC(=O)O)CC(=O)N)C(C)C)CCC(=O)O)CC(C)C)[C@@H](N)[C@H](CC)C
Compound: Lasiojasmonate A
SMILES: O=C1O[C@H](C)[C@H]([C@@H]1C)COC(=O)C[C@@H]2[C@H](C(=O)CC2)C/C=C\CC
Compound: Elevafuranone
SMILES: O=C1C=C(CCO)O[C@]1(CCCCCCCCCCCCCCCC)C
Compound: Medelamine A
SMILES: NCCCCCCCCCCCC(C)C