MonarchInit/C3PO huggingface dataset:
Compound: 1-naphthalenecarboxaldehyde,3,4,4a,5,6,7,8,8a-octahydro-2-(hydroxymethyl)-5,5,8a-trimethyl
SMILES: O=CC1=C(CC[C@@H]2[C@@]1(CCCC2(C)C)C)CO
Compound: Virginiafactin D
SMILES: O=C(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@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCC)CC(C)C)CC(C)C)CCC(=O)N)CC(C)C)CO)[C@H](CC)C)CC(C)C)CC(C)C
Compound: Rubetaujaponol L
SMILES: OC1=C(C(=C(O)C2=C1C[C@](CO)(C)C2)C)CCO
Compound: Varicidin B
SMILES: O=C1N[C@@H]([C@H](CC)C)C(C1=C(O)[C@H]2[C@H](C(=O)O)C=C[C@H]3[C@@H]2CCCC3)=O
Compound: Miuraenamide C
SMILES: ClC1=C(O)C=CC(=C1)C[C@H]2N(C(=O)[C@@H](NC(=O)CCCC=C(CC[C@@H](OC(\C(\NC2=O)=C(/OC)\C3=CC=CC=C3)=O)C)C)C)C
Compound: (2'S*)-2-(2'-hydroxypropyl)-5-methyl-7,8-dihydroxy-chromone
SMILES: O=C1C2=C(OC(=C1)C[C@@H](O)C)C(O)=C(O)C=C2C
Compound: AKD-2B2
SMILES: O=C(OCC(O)CO)CCCCCCCCCCCCCCC(CC)C
Compound: 4-(hydroxymethyl)-2-(2-methylpropyl)uran-3-carboxylic acid
SMILES: O=C(O)C1=C(OC=C1CO)CC(C)C
Compound: Trichorozin I
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(C)C)CO)CCC2)(C)C)CC(C)C)C(CC)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CC(=O)N)C(CC)C)CC(C)C)(C)C
Compound: Compound 4
SMILES: S(C(=O)\C=C/C=C/C)C[C@H](NC(=O)/C=C\C=C\C)C(=O)O
Compound: Cyclipostin B
SMILES: [P@]1(=O)(OC(=C2C(=O)OC[C@@H]2CO1)C)OCCCCCCCCCCCCC(O)CCC
Compound: Conioxanthone A
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC(=C3)O)C=C(CO)C=C2O
Compound: Alternariol 1′-hydroxy-9-methyl ether
SMILES: O=C1OC2=C(C(=CC(=C2)O)CO)C=3C1=C(O)C=C(OC)C3
Compound: 4-(hydroxymethyl)-2-(3-methylbutyl)uran-3-carboxylic acid
SMILES: O=C(O)C1=C(OC=C1CO)CCC(C)C
Compound: SF-1902-A4a
SMILES: O=C1OC(C(C(=O)N(C(C(=O)NC(C(C)C)C(NC(C(NC(C(CN1)=O)C(C)C)=O)CO)=O)C(CC)C)C)C)CCCCCCC
Compound: Compound 5
SMILES: S(C(=O)/C=C\C=C\C)CC[C@H](NC(=O)\C=C/C=C/C)C(=O)O
Compound: Fomefficinin
SMILES: O=C1O[C@]2(OC[C@]34[C@@](C(=O)C[C@@H]3[C@@H](C2)C)([C@H]5[C@@](OCC)([C@@]6([C@H](C([C@H](OC(=O)CC(=O)O)CC6)(C)C)CC5)C)CC4)C)[C@H]([C@@H]1C)C
Compound: Virensol C
SMILES: O1C(O)C[C@H](O)C[C@H]1CC(O)/C=C/C=C/C=C/CCCCC
Compound: S-glycyl-L-cysteine
SMILES: NCC(=O)SC[C@H](N)C(O)=O
Compound: Xylastriasan A
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(C[C@H](C[C@@H]([C@@H]4C1)O5)CO)C)C)CC6=CC=CC=C6
Compound: 2-butyl-4-(hydroxymethyl)uran-3-carboxylic acid
SMILES: O=C(O)C1=C(OC=C1CO)CCCC
Compound: Oxaloterpin C
SMILES: O=C(O[C@H]1C([C@@H]2[C@@](C3=CC[C@@](C=C)(C)C[C@@H]3CC2)(C)CC1)(C)C)C(=O)NO
Compound: SF-1902-A2
SMILES: O=C1OC(C(C(=O)N(C(C(=O)NC(C(C)C)C(NC(C(NC(C(CN1)=O)C(C)C)=O)CO)=O)C(CC)C)C)C)CCCC
Compound: 3alpha-(3'-butylcarboxyacetoxy)oxepanoquercinic acid C
SMILES: O=C(O)C([C@H](C1(O[C@H]2C3([C@](C=4CCC5C(C4C2)(CC[C@H](C5(C)C)OC(=O)CC(=O)OCCCC)C)(CC[C@@H]3[C@@H](C1)C)C)C)O)C)C
Compound: Butyrolactol
SMILES: O=C1OC(C(O)C(O)C(O)C(O)C(O)C(C/C=C/C=C/CC\C=C/C=C/CCC(C)(C)C)C)C(C1O)O
Compound: 4-(hydroxymethyl)-2-pentyluran-3-carboxylic acid
SMILES: O=C(O)C1=C(OC=C1CO)CCCCC
Compound: Pradimicin-T1
SMILES: O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](OC5OC(C(O)C(C5O)OC6OCC(O)C(C6O)O)C)[C@H](C3C=C2C(=O)C7=C1C=C(OC8OCC(O)C(C8O)O)C=C7O)O)C(=O)NCC(=O)O
Compound: 3-methylpentyl-2, 4-dichloroasterrate
SMILES: ClC1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C(=C(O)C(=C1C)Cl)C(=O)OCCCC[C@H](CC)C
Compound: SF-1902-A3
SMILES: O=C1OC(C(C(=O)N(C(C(=O)NC(C(C)C)C(NC(C(NC(C(CN1)=O)C(C)C)=O)CO)=O)C(C)C)C)C)CCCCCC
Compound: Illudolone A
SMILES: O=C1C(=C2[C@@]([C@H](O)C2)(C)[C@@H]3[C@H]1CC(C)(C)C3)CO
Compound: Oxazolepoxidomycin A
SMILES: O=C1N(C2(C(=O)OC2)C(C1(C)C)(O)C(CC(O)C3OC3C(O)CNC(=O)C(C(O)/C(=C\C/C=C/C=C/C=C/C=4OC=NC4)/C)(C)C)C)C
Compound: NX-2
SMILES: O=C(O[C@H]1C2O[C@@H]3C=C(C)C[C@H]([C@@]3([C@](C1)(C)C24OC4)CO)O)C
Compound: BE-40644
SMILES: O=C1C=2O[C@]3([C@H]([C@]4([C@@H](C(CCC4)(C)C)CC3)C)CC2C(=O)C=C1CO)C
Compound: (5R,7R,9R)-7,9-dihydroxy-5-decanolide
SMILES: O=C1O[C@H](CCC1)C[C@H](O)C[C@H](O)C
Compound: Julichrome Q1.6
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C(C4=C(O)C5=C(O)C6=C(C(C(O)(C)CC6=O)C(OC(=O)C)C)C=C5C=C4)=CC3)C(C(O)(C)CC2=O)C(OC(=O)C)C
Compound: Oxazoltetraene acid
SMILES: O=C(O)/C(=C/C/C=C/C=C/C=C/C=1OC=NC1)/C
Compound: Seimatopolide A
SMILES: O=C1O[C@H](C[C@@H](O)[C@H](O)C=C[C@@H](C1)O)CCCCCCCCC
Compound: NX-3
SMILES: O1[C@@H]2C=C(C[C@H]([C@@]2([C@]3(C)C4(C1[C@H](O)C3)OC4)CO)O)C
Compound: Oxazoltriene acid
SMILES: O=C(O)[C@H](CC/C=C/C=C/C=C/C=1OC=NC1)C
Compound: (4E,6R,9R)-dihydroxydec-4-enoic acid
SMILES: O=C(O)CC/C=C/[C@H](O)CC[C@H](O)C
Compound: (1R,5R,5aS,9R,9aR,9bR)-1,9,9b-trihydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate
SMILES: O=C(O[C@@H]1C=C2[C@](O)([C@H](O)OC2)[C@@]3([C@@H]1C(CC[C@H]3O)(C)C)C)CCCCC
Compound: Julichrome Q6.6
SMILES: O=C1C2=C(O)C3=C(O)C(C4=C(O)C5=C(O)C6=C(C(C(O)(C)CC6=O)C(OC(=O)C)C)C=C5C=C4)=CC=C3C=C2C(C(OC(=O)C)C)C(C1)(O)C
Compound: Brevicompanine D
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)COC
Compound: NX-4
SMILES: O=C(OC[C@@]12[C@@]3(C4(OC4)C(O[C@@H]1C=C(C)C[C@H]2O)[C@@H](C3)O)C)C
Compound: IBR-1
SMILES: O(C=1C2=C(O)C=C(OC)C=C2C=C(C1)OC)C
Compound: Oidiolactone C
SMILES: O=C1OC[C@@]23O[C@@H]2[C@H]4OC([C@@]5([C@H]4[C@@](C3=C1)(CCC5)C)C)=O
Compound: Peribysin G
SMILES: O1[C@@H]2[C@@](OC)([C@@H](O)[C@@]3([C@H](CCC[C@@H]3C2)C)C)C(C1)=C
Compound: 2-hydroxydihydronigerone
SMILES: O=C1C=2C(OC(=C1)C)=C(C3=C4O[C@](O)(CC(C4=C(O)C=5C3=CC(OC)=CC5OC)=O)C)C6=CC(OC)=CC(=C6C2O)OC
Compound: 5,7-dihydroxy-3-methyl-2-(2-oxopropyl)naphthalene-1,4-dione
SMILES: O=C1C2=C(C(=O)C(=C1CC(=O)C)C)C(O)=CC(=C2)O
Compound: Pyrichalasin H
SMILES: O=C1NC(CC2=CC=C(OC)C=C2)C3C14C(OC(=O)C)C=CC(O)(CC(CC=CC4C(O)C(=C)C3C)C)C
Compound: IBR-2
SMILES: O1C(OC=2C3=C(OC)C=C(OC)C=C3C=C(C2)OC)[C@H](O)[C@H](O)[C@H]([C@@H]1C)O
Compound: Sabetaafrin D
SMILES: O=C1C=C(C=2C=C(C(=O)/C=C/C=C/C(CC)C)C(=C(C2C1(O)C)C(=O)OC)O)CC(=O)CC(O)C
Compound: Blennolide D
SMILES: O=C1C2=C(O[C@](C1)(C(=O)OC)[C@H]3OC(=O)[C@@H]([C@@H]3C)O)C=CC=C2O
Compound: 7-acetyl-1,3,6-trihydroxyanthracene-9,10-dione
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C3=C1C=C(C(=O)C)C(=C3)O
Compound: Austalide M
SMILES: O=C1OCC=2C1=C(OC)C3=C(O[C@]4(C[C@@H](O)[C@@]56[C@@]([C@H]4[C@@H]3OC)(CC[C@](O5)(OC)OC6(C)C)C)C)C2C
Compound: Bovistol D
SMILES: O=C1C2=C(C(=C)C3([C@@]14OC5=C(C(=C(C)C6=C5C[C@@](C(=O)O)(C)C6)CCO)CC4)CC3)C[C@](C2)(CO)C
Compound: IBR-3
SMILES: O1C(OC=2C3=C(OC)C=C(OC)C=C3C=C(C2)OC)[C@H](OC)[C@H](O)[C@H]([C@@H]1C)O
Compound: Glisoprenin D
SMILES: OC(CCC(O)C(O)(C)C)(CCCC(O)(CCCC(O)(CCCC(O)(CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)C)C)C)C
Compound: Strobetamayerin
SMILES: O1CC2=C(O)C3=C(C[C@@](C3)(CO)C)C(=C2CC1)C
Compound: Glaciapyrrole B
SMILES: O=C(C=1NC=CC1)\C=C(/C=C/C(O)C(O)(CCC=C(C)C)C)\C
Compound: Austalide Q
SMILES: O=C1OCC=2C1=C(OC)C3=C(O[C@]4(C[C@@H](O)[C@H]([C@@]([C@H]4C3)(CCC(=O)OC)C)C(=C)C)C)C2C
Compound: Trichbenzoisochromen A
SMILES: O=C1C2=C(O)C=C(O)C=C2C=C3[C@]1(O)COC(=C3)C
Compound: IBR-4
SMILES: O(C=1C2=C(OC)C=C(OC)C=C2C=C(C1)OC)C
Compound: Purpurogemutantin
SMILES: O=C1C=C([C@]2(O)CC(O[C@]1([C@@H]2O)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCCC4(C)C)C)=O)CO
Compound: GE2270 B2
SMILES: S1C2=NC(=C1C)C(=O)NCC(=O)NC(C=3SC=C(N3)C=4SC=C(N4)C5=C(C6=NC(C(NC(C7=NC(C(NC2C(C)C)=O)=C(S7)C)CC(=O)NC)=O)=CS6)C=CC(=N5)C=8SC=C(N8)C=9OCC(N9)C(=O)N%10C(C(=O)N)CCC%10)C(O)C%11=CC=CC=C%11
Compound: Aspergentisyl B
SMILES: O(CC1=C(O)C=CC(=C1CCC=CC=CC)O)C
Compound: 2-hydroxy-6-[(1E,3E,7R)-7-hydroxyundeca-1,3-dienyl]benzaldehyde
SMILES: O=CC1=C(O)C=CC=C1/C=C/C=C/CC[C@H](O)CCCC
Compound: L681512-1
SMILES: S(=O)(=O)(O[C@@H]1C([C@H]2[C@](C3=C(C4=CC[C@@H]([C@@]4(C)[C@H]([C@@H]3O)OC(=O)C)C(CCC(=C)C(C)C)C)CC2)(C)C[C@H]1O)(C)C)O
Compound: Pestalotiollide C
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)[C@H](O)[C@H](O)C(=C)C
Compound: Purpurogemutantidin
SMILES: O=C1C=C(C(=O)C[C@]1(O)C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCCC3(C)C)C)CO
Compound: 2-methyl-5-nitrobenzyl chloride
SMILES: ClCC1=C(C=CC(=C1)[N+](=O)[O-])C
Compound: Ganoderic acid Jd
SMILES: O=C1C(C2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CCC(=O)O)C)C[C@@H]4O)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: (2E,4E)-5-(2-ormyl-3-hydroxyphenyl)penta-2,4-dienoic acid
SMILES: O=C(O)/C=C/C=C/C1=C(C(O)=CC=C1)C=O
Compound: Drimane-3,8,11,12-tetraol
SMILES: O[C@@H]1C([C@H]2[C@]([C@H]([C@](CO)(C)CC2)CO)(C)CC1)(C)C
Compound: 1',2'-dehydropenicillide
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)/C=C/C(O)(C)C
Compound: Cucumin F
SMILES: O=C1C(=C2[C@H]3[C@H](CC(C3)(C)C)[C@@H]([C@]2(C1)C)O)C
Compound: Zelcovamycin
SMILES: S1C2=NC(=C1)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(N\C(\C(N(CC(NC2C)=O)C)=O)=C/C)=O)CC)(C(=O)C)C)CC=3C4=C(C(OC)=CC=C4)NC3
Compound: (2E,4E)-5-[3-hydroxy-2-(hydroxymethyl)phenyl]penta-2,4-dienoic acid
SMILES: O=C(O)/C=C/C=C/C1=C(C(O)=CC=C1)CO
Compound: Gibbestatin B
SMILES: O=C(O)C1=C(O)C=CC=C1/C=C/C=C/[C@H](C(=O)/C(=C/C2OC2C)/C)[C@@H](OC)C
Compound: Ramoplanin A1
SMILES: ClC1=C(O)C=CC(=C1)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CC3=CC=CC=C3)NC([C@@H](NC([C@H](NC([C@@H](NC([C@H](NC([C@H](NC([C@H](NC([C@H]([C@H](OC2=O)C(=O)N)NC(=O)[C@@H](NC(=O)/C=C\C=C\CCC)CC(=O)N)=O)C4=CC=C(O)C=C4)=O)CCCN)=O)[C@H](O)C)=O)C5=CC=C(O)C=C5)=O)C6=CC=C(O)C=C6)=O)[C@@H](O)C)=O)CCCN)C7=CC=C(O[C@H]8O[C@@H]([C@@H](O)[C@@H]([C@@H]8O[C@H]9O[C@@H]([C@@H](O)[C@@H]([C@@H]9O)O)CO)O)CO)C=C7)[C@H](O)C)C%10=CC=C(O)C=C%10)CC(C)C)C
Compound: Lyngbyazothrin A
SMILES: O=C/1N[C@H](C(=O)NC(C(=O)N2[C@H](C(=O)NC(C(O)C(=O)N[C@H](C(=O)NCC(N3[C@H](C(N4[C@H](C(N[C@@H](C(N[C@H](C(N\C1=C\C)=O)CO)=O)[C@H](CC)C)=O)CCC4)=O)CCC3)=O)CCC(=O)N)CC(O)CC(O)C(O)CC(C)C)CCC2)CCC5=CC=C(OC)C=C5)[C@H](O)C
Compound: 1',2'-epoxy-3',4'-didehydropenicillide
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)C4OC4C(=C)C
Compound: Flaviphenalenone B
SMILES: O=C1C(OC)=C(OC)C=2C(=C(CC=C(C)C)C(C=3C2C1=C(OC3O)O)=O)C
Compound: Phomactin E
SMILES: O=C1C2=CC[C@@H](C)[C@@]([C@@]2(O)C)(CCC(C)=CCC[C@]3([C@@H]1O3)C)C
Compound: 1-[(1E,3E)-6-hydroxydeca-1,3-dienyl]-1,3-dihydro-2-benzouran-4-ol
SMILES: O1C(C=2C=CC=C(C2C1)O)/C=C/C=C/CC(O)CCCC
Compound: Wexrubicin
SMILES: O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@H]([C@@H](O)[C@H]([C@@H]4O)O)CO)=C(C3C)C(=O)C)C=C2C(=O)C=5C1=C(O)C=C(O)C5
Compound: Variegatic acid
SMILES: O=C1O/C(=C(\C2=CC(O)=C(O)C=C2)/C(=O)O)/C(=C1C3=CC(O)=C(O)C=C3)O
Compound: Ramoplanin A3
SMILES: ClC1=C(O)C=CC(=C1)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CC3=CC=CC=C3)NC([C@@H](NC([C@H](NC([C@@H](NC([C@H](NC([C@H](NC([C@H](NC([C@H]([C@H](OC2=O)C(=O)N)NC(=O)[C@@H](NC(=O)\C=C/C=C/CCC(C)C)CC(=O)N)=O)C4=CC=C(O)C=C4)=O)CCCN)=O)[C@H](O)C)=O)C5=CC=C(O)C=C5)=O)C6=CC=C(O)C=C6)=O)[C@@H](O)C)=O)CCCN)C7=CC=C(O[C@H]8O[C@@H]([C@@H](O)[C@@H]([C@@H]8O[C@H]9O[C@@H]([C@@H](O)[C@@H]([C@@H]9O)O)CO)O)CO)C=C7)[C@H](O)C)C%10=CC=C(O)C=C%10)CC(C)C)C
Compound: Thaxtomin B
SMILES: O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC=CC=C4)N(C3=O)C)C)=CC=C1
Compound: Phomactin F
SMILES: O=C1C2=CC[C@@H](C)[C@@]([C@@]2(O)C)(CC[C@@]3(C)[C@@H](CC[C@]4([C@@H]1O4)C)O3)C
Compound: 5-chloro-3-formylindole
SMILES: ClC1=CC2=C(NC=C2C=O)C=C1
Compound: (E)-1-(4-hydroxy-1,3-dihydro-2-benzouran-1-yl)dec-4-ene-2,3-diol
SMILES: O1C(C=2C=CC=C(C2C1)O)CC(O)C(O)/C=C/CCCCC
Compound: Streptcytosine A
SMILES: O=C1N=C(NC(=O)C2=CC=C(N3C(=O)[C@@](CO)(C)NC3)C=C2)C=CN1[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](N(C)C)[C@@H]([C@H]5O)O)C)CC4)C
Compound: Deacetylisowortmin B
SMILES: O=C1C2=C(C[C@H](C=CC)OC2)C[C@H]([C@@]1(OC(=O)C)C)OC(=O)C3=C(O)C=C(OC)C=C3C
Compound: [(6Z)-Adda5]MC-RR
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)CCCN=C(N)N)C
Compound: Thiolactomycin IV
SMILES: S1C(=O)C(CC)=C([C@@]1(/C=C(/C=C)\C)CC)O
Compound: 1-(4-hydroxy-1,3-dihydro-2-benzouran-1-yl)decane-2,3,5-triol
SMILES: O1C(C=2C=CC=C(C2C1)O)CC(O)C(O)CC(O)CCCCC
Compound: 6'-O-desmethyl ES-242-4
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)O)C6=CC(OC)=CC(=C6C(=C2C1)O)OC)C
Compound: Oxiamycin
SMILES: O=C(O)[C@]1([C@H]2[C@@](OC=3C=C4C5=C(C=CC=C5)NC4=CC3CC2)(CC[C@@H]1O)C)C
Compound: Usf-19a
SMILES: O=C1OC(C(OC(=O)C(C)C)C(C)C(OC(C1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: [(6Z)-Adda5]MC-LR
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)CC(C)C)C
Compound: 1-(4-hydroxy-1,3-dihydro-2-benzouran-1-yl)decane-2,3,4,5-tetrol
SMILES: O1C(C=2C=CC=C(C2C1)O)CC(O)C(O)C(O)C(O)CCCCC
Compound: Phenanthroviridin
SMILES: O=C1C=2N=CC3=CC(C)=CC(=C3C2C(=O)C=4C1=C(O)C=CC4)O
Compound: Isoamericanoic acid A
SMILES: O=C(O)/C=C/C1=CC=2O[C@H](C3=CC(O)=C(O)C=C3)[C@@H](CO)OC2C=C1
Compound: 2-acetamido-3-[[(1R,3R)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]sulanyl]propanoic acid
SMILES: S(C1=C(NC)C(=O)C=2C=C3C[C@H](CC(=O)O)O[C@@H](C3=C(C2C1=O)O)CCC(C)C)CC(NC(=O)C)C(=O)O
Compound: 6-OH-scytophycin B
SMILES: O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@]2(OC2)[C@@H](OC)C[C@@H]3CC=C[C@@H](C[C@H]([C@H](C=C(C=C1)C)O)O)O3)C)[C@H]([C@@H](O)[C@H](CCC(=O)[C@@H]([C@H](OC)[C@@H](/C=C/N(C=O)C)C)C)C)C
Compound: 2-[(4-hydroxy-1,3-dihydro-2-benzouran-1-yl)methyl]-5-pentyloxolane-3,4-diol
SMILES: O1C(C(O)C(C1CCCCC)O)CC2OCC3=C2C=CC=C3O
Compound: beta-Rubromycin
SMILES: O=C1OC(C(=O)OC)=CC=2C1=C(O)C=3O[C@]4(OC=5C(=O)C=6C(O)=C(OC)C=C(C6C(C5C4)=O)OC)CCC3C2
Compound: 834-B1
SMILES: S1C(=O)C(C)=C([C@@]1(/C=C(/C=C)\C)CC)O
Compound: 19-O-deMe-scytophycin C
SMILES: O=C1O[C@@H]([C@H]([C@H](O)C[C@H](OC)[C@@H]([C@@H](OC)C[C@@H]2CC=C[C@@H](C[C@H](CC=C(C=C1)C)O)O2)C)C)[C@H]([C@@H](O)[C@H](CCC(=O)[C@@H]([C@H](OC)[C@@H](/C=C/N(C=O)C)C)C)C)C
Compound: LL-Z 1272 epsilon
SMILES: O=C1C(C(C(C)CC1)(CC/C(=C/CC2=C(O)C(=C(C)C=C2O)C=O)/C)C)C
Compound: Fredericamycin C
SMILES: O=C1C2=C(O)C3=C(C4=C(O)C(=C(CC(=O)/C=C/C=C/C)C=C4CC3)C(=O)O)C(=C2C(=O)C=5C1=C(O)C(OC)=CC5O)O
Compound: 2-[(1S)-5-chloro-4-hydroxy-1,3-dihydro-2-benzouran-1-yl]acetic acid
SMILES: ClC1=C(O)C2=C([C@H](CC(=O)O)OC2)C=C1
Compound: gamma-Rubromycin
SMILES: O=C1OC(C(=O)OC)=CC=2C1=C(O)C=3O[C@]4(OC=5C(O)=C6C(=O)C(OC)=CC(C6=C(C5C4)O)=O)CCC3C2
Compound: Thiolactomycin III
SMILES: S1C(=O)C(CC)=C([C@@]1(/C=C(/C=C)\C)C)O
Compound: 6-OH-7-OMe-scytophycin E
SMILES: O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@H]([C@@H](OC)C[C@@H]2CC=C[C@@H](C[C@H]([C@H](C=C(C=C1)C)O)OC)O2)CO)C)[C@H]([C@@H](O)[C@H](CCC(=O)[C@@H]([C@H](OC)[C@@H](/C=C/N(C=O)C)C)C)C)C
Compound: 9-Oxoepothilone D
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](C(CCC(=CC2)C)=O)C)C)(C)C)\C)C
Compound: [11]-cytochalasa-5(6),13-diene-1,21-dione-7,18-dihydroxy-16,18-dimethyl-10-phenyl-(7S*,13E,16S*,18R*)
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C([C@H]([C@@H]3C=CC[C@@H](C[C@@](CC1)(O)C)C)O)C)CC4=CC=CC=C4
Compound: Fluostatin A
SMILES: O=C1C2=C(C(=O)C=C1C)C=3C(=O)C=4C=CC=C(C4C3C(=C2)O)O
Compound: gamma-iso-Rubromycin
SMILES: O=C1OC(C(=O)C)=CC=2C1=C(O)C(O)=C(CCC=3OC=4C(=O)C=5C=CC=CC5C(C4C3)=O)C2
Compound: Bamicetin
SMILES: O=C1N=C(NC(=O)C2=CC=C(NC(=O)[C@@](N)(CO)C)C=C2)C=CN1[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](NC)[C@@H]([C@H]4O)O)C)CC3)C
Compound: [D-Asp3,Dha7]MC-RR
SMILES: O=C1N[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(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCCN=C(N)N)C
Compound: Aspergiolide D
SMILES: O=C1OC2=C3C(C(=O)C4=C5C3=C1C(=O)[C@]6(C(=O)C7=C(O)C=C(O)C=C7C=C6C)C5=C(O)C=C4OC)=C(O)C=C2C
Compound: SF5280-415
SMILES: O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(C56C7=C(C=CC=C7)N[C@H]5N8C(=O)[C@H](CC(C)C)NC([C@@H]8C6)=O)C[C@H]2C(=O)N[C@H]1CC9=CC=CC=C9
Compound: Oidioperazine A
SMILES: S([C@@]1(N(C(=O)[C@@]2(SC)[C@@H](O)[C@]3([C@@H](N2C1=O)N(C=4C=CC=CC34)C=O)C=5C6=C(C=CC=C6)NC5)C)CO)C
Compound: Ririwpeptide A
SMILES: O=C(O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CCCN=C(N)N)[C@H](CC)C)CCCN=C(N)N)[C@H](CC)C)CC=1C2=C(C=CC=C2)NC1
Compound: [D-Asp3]MC-LR
SMILES: O=C1N[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)CC(C)C)C
Compound: Brasilamide K
SMILES: O=C1O[C@@]2(O)[C@@H](C)[C@@H]3[C@@]1([C@@H](C2)C3)CC/C=C(/C(=O)N)\C
Compound: Stevastelin D3
SMILES: S(=O)(=O)(OC(C1NC(=O)C(NC(=O)C(C)C(OC(C(NC1=O)=C)=O)C(C(O)CCCCCCCCCCCCC)C)C(C)C)C)O
Compound: Roccellatol
SMILES: O=C(OC[C@H](O)[C@@H](O)CO)C1=C(O)C=C(C)C=C1O
Compound: Ririwpeptide B
SMILES: O=C(O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CCCN=C(N)N)C(C)C)CCCN=C(N)N)[C@H](CC)C)CC=1C2=C(C=CC=C2)NC1
Compound: Pestalpolyol A
SMILES: O=C(/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)[C@H](C[C@H](CC)C)C)C)/C)C)/C)C)/C)CC
Compound: [D-Asp3]MC-RR
SMILES: O=C1N[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)CCCN=C(N)N)C
Compound: Conioxepinol A
SMILES: O=C1C2=C(OC3=C1[C@@H](C(=O)OC)[C@@H](O)C=CO3)C=C(C)C=C2O
Compound: Stevastelin E3
SMILES: O=C1OC(C(C(=O)NC(C(C)C)C(NC(C(NC1=C)=O)C(O)C)=O)C)C(C(O)CCCCCCCCCCCCC)C
Compound: Alkylpyrone-393
SMILES: O=C1OC(=CC(=C1C)O)[C@H](C(=O)CCCCCCCCCCCCC(C)C)C
Compound: Brefeldin D
SMILES: O=C1O[C@H](CC=CC=C[C@H]2[C@H]([C@@H](C=C1)O)CC(=O)C2)C
Compound: Betulinan B
SMILES: O=C1C=2OCC=3C=CC=CC3C2C(=O)C(=C1C4=CC=CC=C4)OC
Compound: Streptindole
SMILES: O=C(OCC(C=1C2=C(C=CC=C2)NC1)C=3C4=C(C=CC=C4)NC3)C
Compound: MC-LL
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](CC(C)C)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)CC(C)C)C
Compound: Lactapiperanol A
SMILES: O1[C@H](OC)[C@@]23[C@]([C@H]4CC(C)(C)C[C@H]4[C@@H]([C@]2(C1)O)O)(C)C3
Compound: Alkylpyrone-407
SMILES: O=C1OC(=CC(=C1C)O)[C@H](C(=O)CCCCCCCCCCCCCC(C)C)C
Compound: Penialidin D
SMILES: O=C1C2=C(OC3=C1COC(=C3)C)C(=C(OC)C(=C2)O)C(=O)O
Compound: Viscosinamide A
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCC)CC(C)C)CCC(=O)N)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CO)=O)CC(C)C)=O)CO)CC(C)C)C(C)C)C
Compound: MC-LM
SMILES: S(CC[C@@H]1NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(N(C(CC[C@@H](NC([C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)=O)C(=O)O)=O)C)=C)C)CC(C)C)C(=O)O)C)C
Compound: Trichovirin II 2c
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C)(C)C)C)CC(C)C)(C)C)CCC(=O)N)C(C)C)C(C)C)(C)C)(C)C)(C)C
Compound: 7-Hydroxy-5-methoxy-4,6-dimethylphthalide
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2C)C
Compound: Penialidin E
SMILES: O=C1C2=C(OC3=C1CO[C@@](C3)(O)C)C(=C(OC)C(=C2)O)C(=O)O
Compound: Bacillopaline
SMILES: O=C(O)C(NCCC(NC(C(=O)O)CCC(=O)O)C(=O)O)CC=1NC=NC1
Compound: 17-Methylenespiramycin
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(O)C(C4)(O)C)C)C(C3O)N(C)C)C)C(C=O)=C)C)C
Compound: Azetidomonamide A
SMILES: O=C1OC(NC(=O)/C=C/C)=CC=C2N1C[C@H]2O
Compound: Penicyclone C
SMILES: O=C1C=C([C@@H](O)[C@H]([C@@]1(O)CC[C@H](C(=O)OC)C)O)C
Compound: gamma-L-glutaminyl-3,4-benzoquinone
SMILES: O=C1C(=O)C=CC(=C1)N[C@H](C(=O)O)CCC(=O)N
Compound: [D-Asp3,Mser7]MC-RR
SMILES: O=C1N[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([C@H]1CO)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCCN=C(N)N)C
Compound: 1,4,6-trihydroxy-8-hexyl-9,10-anthraquinone
SMILES: O=C1C2=C(C(=O)C3=C1C(=CC(=C3)O)CCCCCC)C(O)=CC=C2O
Compound: Azetidomonamide B
SMILES: O=C1C=C(NC(=O)C=CC)N2[C@@H]1CC2
Compound: Ligustrone A
SMILES: O=C1C2=C(OC(=C1)C)C3=C(OC)C=4C(=O)C=CC4C=C3C=C2O
Compound: Penicyclone E
SMILES: O=C1C=C([C@@H](O)[C@@H]2[C@]1(O2)C/C=C(/CCC(=O)O)\C)C
Compound: MC-VF
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](CC2=CC=CC=C2)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)CC3=CC=CC=C3)C)/C)=O)C)C(C)C)C
Compound: Ferensimycin B
SMILES: O=C(O)[C@H]([C@@]1(O[C@@H]([C@@H](C)C[C@H]1C)[C@H]([C@H](O)[C@@H](C(=O)[C@@H]([C@H]2O[C@@]([C@@]3(O[C@]([C@@H](O)CC)(CC)C[C@H]3C)O)(C)C[C@@H]2C)CC)C)C)O)C
Compound: Tridecaptin M
SMILES: O=C(O)[C@@H](NC(=C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC[C@H](NC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)CNC(=O)CCCC[C@H](CC)C)CCN)CO)CC=1C2=C(C=CC=C2)NC1)CC)CCN)CCN)[C@H](CC)C)CCC(=O)O)[C@H](CC)C)[C@H](CC)C)CO
Compound: 1,4,6-trihydroxy-8-pentacarboxyl-9,10-anthraquinone
SMILES: O=C1C2=C(C(=O)C3=C1C(=CC(=C3)O)CCCCC(=O)O)C(O)=CC=C2O
Compound: Endophenazine C
SMILES: O=C(O[C@H]1O[C@H]([C@H](O)[C@H]([C@H]1OC)O)C)C=2C3=NC=4C(=CC=CC4CC=C(CO)C)N=C3C=CC2
Compound: Terrestrin C
SMILES: O=C(OC1=C(OC(=O)CCC)C(=C(O)C(=C1C2=CC=C(O)C=C2)O)C3=CC=C(O)C=C3)CC4=CC=CC=C4
Compound: Cis-Dihydroanatoxin-A
SMILES: O=C([C@@H]1[C@@H]2N[C@@H](CC2)CCC1)C
Compound: Huimycin
SMILES: O=C(N[C@H]1[C@@H](O[C@H](CO)[C@H](C1O)O)NC2=NC(OC)=C3C(C#N)=CNC3=N2)C
Compound: S-palmitoyl-L-cysteine
SMILES: CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(O)=O
Compound: 4-hydroxy-3-methylnaphthalene-1,2-dione
SMILES: O=C1C(=O)C(=C(O)C2=C1C=CC=C2)C
Compound: Leptosphaerin A
SMILES: O=C1C2=C(OC=C2[C@H](O)[C@@H](C1)C)C3=C(O)C=CC=C3O
Compound: Officimalonic acid D
SMILES: O=C1C2=C([C@]3(CC[C@H](C([C@@H]3C1)(C)C)OC(=O)CC(=O)OC)C)C[C@@H](O)[C@]4([C@]2(CC[C@@H]4[C@@H](CC(=O)[C@@H]([C@@H](C(=O)O)C)C)C)C)C
Compound: 1,4,6-trihydroxy-8-(2′-oxopentyl)-9,10-anthraquinone
SMILES: O=C1C2=C(C(=O)C3=C1C(=CC(=C3)O)CC(=O)CCC)C(O)=CC=C2O
Compound: Chaetolivacine A
SMILES: O=C1N/C(=C\C2=CC=CC=C2)/C=C1C(=O)[C@@H]3[C@@H](C(=C[C@]4([C@H]3CC[C@H](C4)C)C)C)/C(=C/C)/C
Compound: 2,3-Epoxyanatoxin-A
SMILES: O=C(C12OC1CC[C@H]3N[C@@H]2CC3)C
Compound: Paecilomycin H
SMILES: O=C1O[C@H](CCC[C@@H]2OC(C)(C)O[C@H]2CCC=CC=3C1=C(O)C=C(OC)C3)C
Compound: Chaetolivacine B
SMILES: O=C1N[C@](OC)(CC2=CC=CC=C2)C=C1C(=O)[C@@H]3[C@@H](C(=C[C@]4([C@H]3CC[C@H](C4)C)C)C)/C(=C/C)/C
Compound: Sodagnitin F
SMILES: O=C1C=C(C(=C)[C@H]2O[C@@H](O)C([C@@H]3C(=O)C[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H](O)[C@@H](C5(C)C)O)C)C)=CC2)OC1(C)C
Compound: Bacitracin H3
SMILES: S1C(=NC(=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(=O)[C@H](CC)C
Compound: S-phospho-L-cysteine
SMILES: N[C@@H](CSP(O)(O)=O)C(O)=O
Compound: 1,4,6-trihydroxy-8-(2′-oxohexyl)-9,10-anthraquinone
SMILES: O=C1C2=C(C(=O)C3=C1C(=CC(=C3)O)CC(=O)CCCC)C(O)=CC=C2O
Compound: Chaetolivacine C
SMILES: O=C1N[C@@](OC)(CC2=CC=CC=C2)C=C1C(=O)[C@@H]3[C@@H](C(=C[C@]4([C@H]3CC[C@H](C4)C)C)C)/C(=C/C)/C
Compound: [D-Asp3,ADMAdda5]MC-HtyR
SMILES: O=C1N[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(=O)C)CC2=CC=CC=C2)C)/C)=O)CCC3=CC=C(O)C=C3)C
Compound: Paecilomycin I
SMILES: O=C1O[C@H](CCC[C@@H]2OC(C)(C)O[C@H]2CCC=CC=3C1=C(O)C=C(O)C3)C
Compound: Beta-O-Methyldihydrobotrydialone
SMILES: O=C1O[C@H](OC)[C@H]2[C@@H](C[C@@H]([C@@H]3[C@]2([C@@]1(CC3(C)C)C)O)OC(=O)C)C
Compound: Grimoviridin
SMILES: O=C1N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)CO)CC2=CC=CC=C2)CCC(=O)NCCCCC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC([C@H]([C@H](OC(C[C@H]4C(N[C@H](C(N[C@H]1CC(=O)OC[C@H](NC(=O)[C@H]5N(C(=O)[C@@H](NC3=O)C)CCC5)C(=O)N4)=O)CC(=O)O)=O)=O)C)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](CC)C)C)=O
Compound: Similin A
SMILES: O=C1C(=C(CO)C([C@@]1(CC)C)=O)[C@@H](CC)C
Compound: [D-Asp3,DMAdda5]MC-RR
SMILES: O=C1N[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](O)CC2=CC=CC=C2)C)/C)=O)CCCN=C(N)N)C
Compound: 2-(dimethoxymethyl)-1-hydroxyanthracene-9,10-dione
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC=C3)C(OC)OC
Compound: Hydroxydihydrofusarubin
SMILES: O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)C3[C@@]1(O)COC(C3)(O)C
Compound: Decarestrictine B
SMILES: O=C1O[C@@H](C[C@@H]2O[C@@H]2[C@@H](CC(C1)=O)O)C
Compound: Brasiliamide I
SMILES: O=C(N1[C@H](CN[C@H](C1)CC2=CC(OC)=C(O)C(=C2)OC)CC3=CC=CC=C3)C
Compound: Roseoferin B2
SMILES: O=C(NC(C(=O)NC(CNCCO)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(CCCCCCCC)C)CCC1)CC(CC(O)CC(=O)CC)C)C)(C)C)C(CC)C)C(C)C)(C)C
Compound: Cyanopeptolin 1009
SMILES: ClC1=CC=C(C[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(O)COS(=O)(=O)O)[C@@H](OC(C(NC([C@@H](N(C2=O)C)CC4=CC=C(O)C=C4)=O)C(CC)C)=O)C)CCCN=C(N)N)CC[C@H]3O)C=C1
Compound: Acremolin C
SMILES: O=C1N(C2=NC=C(N2C3=C1N=CN3C)C(C)C)C
Compound: O-ethylhydroxydihydrofusarubin
SMILES: O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)C3[C@@]1(O)COC(C3)(OCC)C
Compound: Cytoglobosin X
SMILES: O=C1N[C@@H](CC=2C3=C(C=CC=C3)NC2)C4[C@@]15[C@@H](O)CC[C@@H](O)[C@@H](O)C(C)=C[C@H](CC=C[C@H]5[C@H](O)C(C)=C4C)C
Compound: 7,10-Dihydroxydeacetyldihydrobotrydial-1
SMILES: O1[C@H](O)C2=C3[C@@H]([C@@H](O)C[C@H]2C)C([C@H]([C@@]3(C1)C)O)(C)C
Compound: [D-Asp3]MC-HilR
SMILES: O=C1N[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)C[C@H](CC)C)C
Compound: 6-formamide-chetomin
SMILES: S1S[C@@]2(N(C)C([C@]1(N(C)C2=O)CO)=O)CC=3C4=C(C=CC=C4)N(C3)[C@@]56C7=C(C=CC=C7)N([C@@H]5N8C(=O)[C@]9(CO)SS[C@@]8(C6)C(=O)N9C)C(=O)C
Compound: Patulodin
SMILES: O=C1C=C2C=C(OC3C2(O3)C(C1(OC(=O)CC(O)CC(O)C)C)=O)/C=C/C=C/C=C/C
Compound: (R)-terreazepine
SMILES: O=C1NC2=C(C=CC=C2)C(C[C@H]1NC(=O)C3=C(N)C=CC=C3)=O
Compound: Paecilomycin A
SMILES: O=C1O[C@H](CC=C[C@@H](O)[C@@H](O)[C@H](C[C@@H]2[C@@H](C=3C1=C(O)C=C(OC)C3)O2)O)C
Compound: [D-Asp3,Mser7]MC-LR
SMILES: O=C1N[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([C@H]1CO)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CC(C)C)C
Compound: Xylarphthalide A
SMILES: O=C1O[C@@H]([C@H](O)C)C=2C1=C(O)C=CC2C(=O)O
Compound: Persiamycin A
SMILES: O=C1C2=C(O)C=3C(=CC(O)=CC3C)C=C2C(=O)C=4C1=C(O)C(=C(O)C4)C
Compound: 17-hydroxydocosanoic acid
SMILES: O=C(O)CCCCCCCCCCCCCCC[C@@H](O)CCCCC
Compound: Blennolide A
SMILES: O=C1C2=C(O)C3=C(C=CC=C3O)O[C@@]2(C(=O)OC)[C@@H](O)[C@H](C1)C
Compound: Hexylaconitic acid A
SMILES: O=C(O)/C(=C(\C(=O)C)/CC(=O)O)/CCCCCC
Compound: [D-Asp3]MC-HphR
SMILES: O=C1N[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)CCC3=CC=CC=C3)C
Compound: Euparvic acid
SMILES: O=C1OCC=2C1=C(O)C(=C(O)C2C)CC[C@@H](C(=O)O)C
Compound: N1-acetyl-N7-o-hydroxyphenylacetyl cadaverine
SMILES: O=C(NCCCCCNC(=O)C)CC1=C(O)C=CC=C1
Compound: Emmyguyacin A
SMILES: O=C(OC(CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1O)CO)O[C@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O)O)CO)CCCCC)C(=O)O
Compound: Hexylaconitic acid B
SMILES: O=C(O)/C(=C(\C(=O)O)/CCCCCC)/CC(=O)OCC
Compound: Brasiliamide E
SMILES: O=C(N1[C@H](CNC(C1)CC2=CC(OC)=C3OCOC3=C2)CC4=CC=CC=C4)C
Compound: Catacerebroside A
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCC)\C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)CCCCCCCCCCCCCC/C=C\CCCCCC
Compound: Hexylaconitic acid C
SMILES: O=C(O)/C(=C(\C(=O)O)/CCCCCC)/CC(=O)OC
Compound: N1-acetyl-N7-4′′-methyl-3′′-pentenoyl cadaverine
SMILES: O=C(NCCCCCNC(=O)C)CC=C(C)C
Compound: N-methylphloretamide
SMILES: O=C(NC)CCC1=CC=C(O)C=C1
Compound: [D-Asp3,D-MeO-Glu6]MC-HtyR
SMILES: O=C1N[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)OC)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCC3=CC=C(O)C=C3)C
Compound: Calcaripeptide C
SMILES: O=C1N2[C@H](C(=O)O[C@@H](CC[C@H](C([C@@H](C(N[C@H]1CC3=CC=CC=C3)=O)C)=O)C)C)CCC2
Compound: Asperitaconic acid A
SMILES: O=C(O)C(=C)[C@@H](C(=O)OC)CCCCCCO
Compound: N1-acetyl-N7-4′′-methyl-pentoyl cadaverine
SMILES: O=C(NCCCCCNC(=O)C)CCC(C)C
Compound: Minioluteumide D
SMILES: O=C1OCC2=C1[C@@H](O)C[C@@H]3[C@@]2([C@@H](OC(=O)[C@@H](NC(=O)C)C(C)C)CCC3(C)C)C
Compound: 4R-Hydroxyhomoanatoxin-A
SMILES: O=C(C1=C[C@H](O)C[C@H]2N[C@@H]1CC2)CC
Compound: Microsphaerone B
SMILES: O=C1C(C(=O)N)=COC(=C1)/C=C/C=C/CCCCCCC(=O)O
Compound: Acremoxanthone F
SMILES: O=C1C2=C(O)C3=C(C[C@@]45[C@@H](O)C=6C=C(C)C=C(C6C([C@]5(C([C@H]3C=C4)=O)O)=O)O)C=C2OC=7C1=C(C(O)=CC7)C(=O)OC
Compound: N1-acetyl-N7-n-hexanoyl cadaverine
SMILES: O=C(NCCCCCNC(=O)C)CCCCC
Compound: N-<(-)-jasmonoyl-(S)>-isoleucine
SMILES: O=C1[C@@H]([C@@H](CC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CC1)C/C=C\CC
Compound: Hexylitaconic acid A
SMILES: O=C1OC(=O)C(=C1CCCCCC)C
Compound: Iromycin A
SMILES: O=C1NC(=C(CCC)C(=C1C)O)C/C=C(/C/C=C/C(C)C)\C
Compound: 4S-Hydroxyhomoanatoxin-A
SMILES: O=C(C1=C[C@@H](O)C[C@H]2N[C@@H]1CC2)CC
Compound: SMTP-8D
SMILES: O=C1N([C@@H](C(=O)O)CCCCN2C(=O)C=3C=C(O)C4=C(C3C2)O[C@@]([C@H](O)C4)(CC/C=C(/CCC=C(C)C)\C)C)CC5=C1C=C(O)C6=C5O[C@@]([C@H](O)C6)(CC/C=C(/CCC=C(C)C)\C)C
Compound: Hexylitaconic acid E
SMILES: O=C(O)C(=C)[C@@H](C(=O)O)CCCCCOC(=O)C
Compound: 4-rhamnosyl-phenylethylene
SMILES: O1C(OC2=CC=C(C=C)C=C2)[C@H](O)[C@H](O)[C@H]([C@@H]1C)O
Compound: 3-(2'-Hydroxy-3'-oxo-4'-methylhexyl)-indole
SMILES: O=C(C(O)CC=1C2=C(C=CC=C2)NC1)C(CC)C
Compound: Stieleriacine E
SMILES: O=C(O)/C(/NC(=O)CCCCCCCCCCCCCCCCC)=C/C1=CC=C(OC)C=C1
Compound: [2-hexadecanoyloxy-3-[6-[[4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] hexadecanoate
SMILES: O=C(OC1C(O)C(OC(C1O)CO)OCC2OC(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C(O)C(C2O)O)CCCCCCCCCCCCCCC
Compound: 4-Oxohomoanatoxin-A
SMILES: O=C1C=C(C(=O)CC)[C@H]2CC[C@@H](C1)N2
Compound: SMTP-7D
SMILES: O=C1N([C@@H](C(=O)O)CCCN2C(=O)C=3C=C(O)C4=C(C3C2)O[C@@]([C@H](O)C4)(CC/C=C(/CCC=C(C)C)\C)C)CC5=C1C=C(O)C6=C5O[C@@]([C@H](O)C6)(CC/C=C(/CCC=C(C)C)\C)C
Compound: Stieleriacine D
SMILES: O=C(O)/C(/NC(=O)CCCCCCC/C=C\CCCCCCCC)=C/C1=CC=C(OC)C=C1
Compound: 5-(1′′,3′′-dimethyl-2′′-hydroxyl-butyl)-2-en-2-methyl-3-rhamnosyl-delta-valerolactone
SMILES: O=C1OC(C(C(O)C(C)C)C)CC(=C1C)OC2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C
Compound: 8'-Phosphoamicoumacin B
SMILES: P(=O)(OC(C(=O)NC(C1OC(=O)C=2C(O)=CC=CC2C1)CC(C)C)C(O)C(N)CC(=O)O)(O)O
Compound: Cohaerin I
SMILES: O=C1C=C2C(=COC(=C2)[C@@H]3C(=O)C[C@@H](O)C[C@H]3C)[C@@H]([C@]1(O)C)CC(=O)[C@H](CCCCCC)C
Compound: Cyanopeptolin 1014
SMILES: O=C1OC(C(NC(=O)C(NC(=O)CCCCCCC)CCC(=O)O)C(=O)NC(C(=O)NC2CCC(N(C(C(N(C(C(NC1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C2=O)O)CCCN=C(N)N)C
Compound: Scytocyclamide A2
SMILES: O=C/1N2[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@H](CC)C)C(N[C@H](C(NCC(NC(CC(N[C@H](C(N\C1=C\C)=O)CCC(=O)N)=O)CCCCC)=O)=O)CC(C)C)=O)[C@H](CC)C)CC(C)C)CC3=CC=CC=C3)CCO)CCC2
Compound: SMTP-6D
SMILES: O=C1N(C(C(=O)O)CC=2C3=C(C=CC=C3)NC2)CC4=C1C=C(O)C5=C4O[C@@]([C@H](O)C5)(CC/C=C(/CCC=C(C)C)\C)C
Compound: Scopuquinolone B
SMILES: O=C1NC2=C(C(O)=C(/C=C/[C@]3(C[C@@H]([C@@H](O)CC3)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=CC=C4
Compound: Omphalotin B
SMILES: O=C1N([C@H](C(=O)N([C@H](O)C(=O)N[C@H](C(=O)N(C(C(=O)N(CC(=O)N2C3NC=4C=CC=CC4[C@]3(O)C[C@H]2C(=O)N([C@H](C(N[C@H](C(N([C@H](C(N([C@H](C(N(CC(N([C@@H]1C(O)(C)C)C)=O)C)=O)C(C)C)C)=O)C(C)C)C)=O)[C@H](CC)C)=O)C(C)C)C)C)[C@H](CC)C)C)C(C)C)C)[C@H]([C@@H](OC(=O)CC(O)(C)C)C)C)C
Compound: Scytocyclamide B2
SMILES: O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NC(CC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)C(O)C(C)C)=O)C)=O)C(O)C(C)C)=O)C(C)C)=O)CCCCC)[C@H](O)C)CC(C)C)CCC2)[C@@H](O)C)CC(=O)N)[C@H](CC)C)C
Compound: Cyanopeptolin 986
SMILES: O=C1OC(C(NC(=O)C(NC(=O)CCCCC)CCC(=O)O)C(=O)NC(C(=O)NC2CCC(N(C(C(N(C(C(NC1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C2=O)O)CCCN=C(N)N)C
Compound: Anabaenopeptin MM913
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=CC=C2)=O)[C@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)CC3=CC=C(O)C=C3)[C@H](CC)C)CCC4=CC=C(O)C=C4)C
Compound: SMTP-5D
SMILES: O=C1N([C@@H](C(=O)O)CC(C)C)CC2=C1C=C(O)C3=C2OC(C(O)C3)(CC/C=C(/CCC=C(C)C)\C)C
Compound: Diorcinol K
SMILES: O(C1=C(C(O)=CC(=C1CC=C(C)C)C)CC=C(C)C)C2=CC(O)=CC(=C2)C
Compound: Scytocyclamide B3
SMILES: O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NC(CC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)CC(C)C)=O)C)=O)C(O)C(C)C)=O)C(C)C)=O)CCCCC)[C@H](O)C)CC(C)C)CCC2)[C@@H](O)C)CC(=O)N)[C@H](CC)C)C
Compound: 3S*,4R*-dihydroxy-4-(4′-methoxyphenyl)-3,4-dihydro-2(1H)-quinolinone
SMILES: O=C1NC2=C(C=CC=C2)[C@@]([C@H]1O)(O)C3=CC=C(OC)C=C3
Compound: Aeruginosin 670
SMILES: ClC1=C(O)C(Cl)=CC(=C1)CC(O)C(=O)NC(C(=O)N2C3C(CCC(C3)O)CC2C(=O)NC4C(O)N(C(=N)N)CCC4)CC(C)C
Compound: SMTP-4D
SMILES: O=C1N([C@@H](C(=O)O)CC2=CC=CC=C2)CC3=C1C=C(O)C4=C3OC(C(O)C4)(CC/C=C(/CCC=C(C)C)\C)C
Compound: [(3S,4S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
SMILES: O=C(O[C@H]1C=2C(=C(OC3OC(C(OC)C(C3O)O)CO)C4=C(OC)C=C(C=C4C2)OC)CO[C@H]1C)C
Compound: Colletotrichine A
SMILES: O=C1[C@@H](C=C(C)C)[C@]2(O)C[C@@]([C@@H]1C)(O)C(=C)CC2
Compound: Pyranoviolin A
SMILES: O=C1C(OC)=C(OC2=C1C(=O)N[C@@H]2O)/C=C/CCC
Compound: 3beta,7beta,15beta-trihydroxy-11, 23-dioxo-lanost-8,16-dien-26-oic acid
SMILES: O=C1C2=C([C@@]3([C@H](O)C=C([C@]3(C1)C)[C@@H](CC(=O)CC(C(=O)O)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Cyanopeptolin 911
SMILES: S(=O)(=O)(OCC(O)C(=O)NC1C(=O)NC(C(=O)NC2C(=O)N(C(CC(C)C)C(N(C(C(NC(C(OC1C)=O)C(C)C)=O)CC3=CC=CC=C3)C)=O)C(O)CC2)CCCN=C(N)N)O
Compound: Hydroxy-jesterone
SMILES: O=C1C(=C([C@H](O)[C@@H]2[C@]1(O2)[C@H](O)C=C(C)C)CO)/C=C/C
Compound: Haliangicin D
SMILES: O=C(OC)\C=C(\OC)/C(/OC)=C\C(=C\C=C(\[C@@H](C[C@@]1(O[C@H]1C=C)C)C)/C)\C
Compound: 4,6,8-trihydroxy-5-methyl-3,4-dihydronaphthalen-1(2H)-one
SMILES: O=C1C2=C(O)C=C(O)C(=C2[C@H](O)CC1)C
Compound: Deepflavo
SMILES: S1C(CC(NC(=O)/C(/NC(=O)C(NC(=O)C2NC(=O)C(NC(=O)C(CC3=CC=CC=C3)NC(C(C(SC2)C)NC(=O)C(NC(=O)C4N(C(=O)C5N(C(=O)C(NC(=O)C(=O)CC)C(CC)C)CCC5)CCC4)CCCN=C(N)N)=O)CC=6C7=C(C=CC=C7)NC6)CS)=C/C)C(=O)NC(C(=O)NC(C(NC(C1)C(=O)O)=O)C(CC)C)C(C)C)C
Compound: Adecypenol
SMILES: OC1C=2N=CN(C2NC=NC1)[C@@H]3C=C(CO)[C@H]([C@H]3O)O
Compound: Mycosporine-tau
SMILES: S(=O)(=O)(O)CCNC1=C(OC)C(=O)C[C@@](C1)(O)CO
Compound: Haliangicin C
SMILES: O=C(OC)/C=C(/OC)\C(\OC)=C/C(=C\C=C(\[C@H](C[C@@]1(O[C@H]1C=C)C)C)/C)/C
Compound: Deepginsen
SMILES: S1C(C(NC(=O)/C(/NC(=O)C2N(C(=O)C(NC(=O)C(=O)CC)CC(C)C)CCC2)=C/C)C(=O)NC(C(=O)NC(C(=O)NC(C(NC(C(NC(C1)C(=O)NCC(=O)NC(C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC(C(NC(CSC3C)C(=O)O)=O)C(C)C)CC=4C5=C(C=CC=C5)CC4)CC6=CC=CC=C6)CCC(=O)O)=O)=C)=O)C(CC)C)CC7=CC=CC=C7)CCC(=O)N)C
Compound: Blazeispirol I
SMILES: O1[C@@]2(OC(C)(C)[C@H]([C@H]2O)CO)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(OC)C=C5)C)C=C4)CC3)C)C
Compound: 1-(4-hydroxy-6-methoxy-1,7-dimethyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)ethyl acetate
SMILES: O=C1O[C@]([C@@H](OC(=O)C)C)(C)C=2C1=C(O)C=C(OC)C2C
Compound: 9-deacetylfumigaclavine C
SMILES: O[C@@H]1[C@@H]2C3=C4C(NC(=C4C[C@H]2N(C)C[C@@H]1C)C(C=C)(C)C)=CC=C3
Compound: [D-Asp3,Thr7]MC-RR
SMILES: O=C1N[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(NC1C(O)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCCN=C(N)N)C
Compound: Haliangicin B
SMILES: O=C(OC)/C=C(\OC)/C(/OC)=C/C(=C\C=C(\[C@@H](C[C@@]1(O[C@H]1C=C)C)C)/C)/C
Compound: Deepstreptin
SMILES: O=C1NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(CC)C)CC(C)C)CCC(=O)N)CC=2NC=NC2)CC(C)C)CC(C)C)CC(=O)NC(CC(C)C)C(NC(C(NCC(NCC(NC1C(O)C)=O)=O)=O)C)=O)CCCCN)C
Compound: Daidzein G1
SMILES: O=C1C(C2=CC=C(OC3O[C@H]([C@H](O)[C@H]([C@H]3OC)O)C)C=C2)=COC4=C1C=CC(=C4)OC5O[C@H]([C@H](O)[C@H]([C@H]5OC)O)C
Compound: 20-hydroxy-3,12,15,23-tetraoxolanosta-7,9(11),16-trien-26-oic acid
SMILES: O=C1C=C2C(=CC[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@]4([C@]1(C(=CC4=O)C(O)(CC(=O)CC(C(=O)O)C)C)C)C
Compound: Tolyporphin B
SMILES: O=C1C=2N=C(C1(C3OC(C(O)CC3OC(=O)C)C)C)C=C4NC(=CC5=NC(=CC=6NC(C2)=C(C6)C)C(C5=O)(C7OC(C(O)CC7O)C)C)C=C4C
Compound: [D-Asp3,DMAdda5]MC-LA
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](C)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](O)CC2=CC=CC=C2)C)/C)=O)CC(C)C)C
Compound: Cis-haliangicin
SMILES: O=C(OC)/C=C(/OC)\C(\OC)=C\C(=C/C=C(/[C@@H](C[C@@]1(O[C@@H]1C=C)C)C)\C)\C
Compound: Goadvionin B2
SMILES: S1CC2(NC(=O)[C@@H](NC(=O)\C(\NC(C(C2)NC(=O)[C@@H](NC(=O)C(C(O)CCCCCCC/C=C\CCCCCCC(O)CC(O)CC(O)CC(O)CC(O)CCCC[N+](C)(C)C)C)C)=O)=C/C)[C@H](CC)C)C(=O)N[C@H](C(=O)N[C@H](C(NCC1)=O)CC(=O)N)CCC(=O)N
Compound: Hydroxyketone 12
SMILES: S1C(=NC(=C1)/C=C(/[C@@H](O)C/C=C(\CCC(=O)CC)/C)\C)C
Compound: 10,11-dihydroxylaureonitol
SMILES: O1[C@@H](/C=C/C=C)[C@H](O)[C@H](C1)/C=C/[C@@H](O)[C@H](O)C
Compound: Desacetyl-octanoylacetomycin
SMILES: O=C1OC(OC(=O)CCCCCCC)C(C1(C(=O)C)C)C
Compound: Goadpeptin B
SMILES: S1C=CNC(=O)[C@@H](NC([C@@H](NC(C2(C1)NC(=O)[C@@H](NC(=O)C(NC(C(C2)NC(=O)[C@@H](N)C)=O)=CC)[C@H](CC)C)=O)CCC(=O)N)=O)CC(=O)N
Compound: [D-Asp3]MC-VA
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](C)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(C)C)C
Compound: 6-desmethyl erythromycin D
SMILES: O=C1O[C@@H]([C@@H]([C@H](O)[C@H](C(=O)[C@H](C)C[C@H]([C@@H]([C@@H]([C@@H]([C@H]1C)O[C@H]2O[C@H]([C@H](O)[C@@](C2)(O)C)C)C)O[C@@H]3O[C@@H](C[C@@H]([C@H]3O)N(C)C)C)O)C)C)CC
Compound: Yamchaetoglobosin A
SMILES: O=C1N[C@@H](CC=2C3=C(C=CC=C3)NC2)[C@H]4[C@]1(C(=O)CCC(=O)OC)[C@@H](/C=C/C[C@@H](/C=C(/C=O)\C)C)[C@H](O)C(=C)[C@H]4C
Compound: Goadvionin A1
SMILES: S1C=CNC(=O)[C@@H](NC([C@@H](NC(C2(C1)NC(=O)[C@@H](NC(=O)\C(\NC(C(C2)NC(=O)[C@@H](NC(=O)C(C(O)CCCCCCC/C=C\CCCCCCC(O)CC(O)CC(O)CC(O)CC(O)CCC(O)C[N+](C)(C)C)C)C)=O)=C/C)C(C)C)=O)CC(=O)N)=O)CC(=O)N
Compound: Wbeta2221
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1[C@@H]([C@H](O)C)C)=O)C(C)C)[C@H](CC)C)CC2=CC=CC=C2
Compound: (3Z,5E,9R,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2,4-dihydroxy-5-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
SMILES: O=C1OC([C@@H](OC)C=CC=C(C[C@H](C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C2(OC([C@H](C)C(C2)O)CC)O)C)C
Compound: Phenylpyropene B
SMILES: O=C1OC(C2=CC=CC=C2)=CC3=C1C[C@@H]4[C@@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(COC(=O)C)C)CC[C@]4(O3)C)C
Compound: MC-VA
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](C)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)C(C)C)C
Compound: (E)-7,8-dihydroxyoct-5-en-2-one
SMILES: O=C(CC/C=C/[C@@H](O)CO)C
Compound: Goadvionin A2
SMILES: S1C=CNC(=O)[C@@H](NC([C@@H](NC(C2(C1)NC(=O)[C@@H](NC(=O)\C(\NC(C(C2)NC(=O)[C@@H](NC(=O)C(C(O)CCCCCCC/C=C\CCCCCCC(O)CC(O)CC(O)CC(O)CC(O)CCCC[N+](C)(C)C)C)C)=O)=C/C)C(C)C)=O)CC(=O)N)=O)CC(=O)N
Compound: Quadrilineatin
SMILES: O=CC1=C(OC)C(=C(O)C=C1C=O)C
Compound: Merulin B
SMILES: O=C1[C@]2(OOC3C(O)(CO)CC[C@@]2(C(C)(C)CC1)C3)C
Compound: [Dha7]MC-LA
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](C)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CC(C)C)C
Compound: Phenylpyropene A
SMILES: O=C1OC(C2=CC=CC=C2)=CC3=C1[C@H](O)[C@@H]4[C@@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(COC(=O)C)C)C[C@@H]([C@]4(O3)C)OC(=O)C)C
Compound: Goadvionin A3
SMILES: S1C=CNC(=O)[C@@H](NC([C@@H](NC(C2(C1)NC(=O)[C@@H](NC(=O)\C(\NC(C(C2)NC(=O)[C@@H](NC(=O)C(C(O)CCCCCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC(O)CCC(O)C[N+](C)(C)C)C)C)=O)=C/C)C(C)C)=O)CC(=O)N)=O)CC(=O)N
Compound: (2E,4E)-octa-2,4-diene-1,6,7-triol
SMILES: OC(/C=C/C=C/CO)C(O)C
Compound: Enterocin CRL 35
SMILES: O=C(NC(C(=O)NC(C(=O)N)CC(=O)N)CC(C)C)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(N)CCCCN)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)CC(=O)N)C(C)C)[C@H](O)C
Compound: Goadvionin A4
SMILES: S1C=CNC(=O)[C@@H](NC([C@@H](NC(C2(C1)NC(=O)[C@@H](NC(=O)\C(\NC(C(C2)NC(=O)[C@@H](NC(=O)C(C(O)CCCCCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC(O)CCCC[N+](C)(C)C)C)C)=O)=C/C)C(C)C)=O)CC(=O)N)=O)CC(=O)N
Compound: Microginin 91-D
SMILES: ClCCCCCCC[C@@H](N)[C@@H](O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC1)CC(C)C)C)[C@H](CC)C
Compound: [D-Asp3]MC-LV
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](C(C)C)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)CC(C)C)C
Compound: Hexacyclinol
SMILES: O=C1C2=C[C@@H]([C@@]34C(=O)[C@H]5[C@H]([C@@H]([C@H]3[C@@H]2[C@@H](O)[C@H]6[C@H]1O6)O[C@@H]4C=C(C)C)O5)C(OC)(C)C
Compound: 3alpha-hydroxy-7-ene-6,20-dione
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3C(=O)C)C)[C@@]4([C@@H]1C[C@H](O)CC4)C
Compound: Goadvionin B1
SMILES: S1CC2(NC(=O)[C@@H](NC(=O)\C(\NC(C(C2)NC(=O)[C@@H](NC(=O)C(C(O)CCCCCCC/C=C\CCCCCCC(O)CC(O)CC(O)CC(O)CC(O)CCC(O)C[N+](C)(C)C)C)C)=O)=C/C)[C@H](CC)C)C(=O)N[C@H](C(=O)N[C@H](C(NCC1)=O)CC(=O)N)CCC(=O)N
Compound: Takanawaene B
SMILES: O=C1OC(C(C=CC=CC=CC=CC=CC(O)C(C(CC(CC(CCCC(CC(C1C)O)O)O)O)O)C)C)CC
Compound: Cytosporone P
SMILES: O=C1OC(CCCCCC(O)C)C2=C1C=C(O)C(=C2O)O
Compound: [D-Asp3]MC-RA
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](C)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)CCCN=C(N)N)C
Compound: NGA0187
SMILES: O=C1[C@H](O)C2C([C@@H](O)C[C@]3([C@H]2C[C@H](OC(=O)C)[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@@]4([C@@H]1C[C@@H](O)CC4)C
Compound: Goadvionin B4
SMILES: S1CC2(NC(=O)[C@@H](NC(=O)\C(\NC(C(C2)NC(=O)[C@@H](NC(=O)C(C(O)CCCCCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC(O)CCCC[N+](C)(C)C)C)C)=O)=C/C)[C@H](CC)C)C(=O)N[C@H](C(=O)N[C@H](C(NCC1)=O)CC(=O)N)CCC(=O)N
Compound: Botryoanhydride
SMILES: O=C1OC(=O)[C@H]2[C@@]13[C@H](O)[C@H](C[C@H]4C(=O)OC([C@@]4([C@@H]2CCC)CC3)=O)C
Compound: Bacillomycin Lc 1
SMILES: O=C1N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CC(=O)N)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](O)C)=O)CO)=O)CCC(=O)O)=O)CO)=O)CC2=CC=C(O)C=C2)CC(=O)N)CCCCCCCCC(CC)C
Compound: Kosinostatin
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C=C4[C@@H](O[C@@H]5O[C@H]([C@](O)(C(=O)C)[C@@H](C5)O)C)[C@@]6(O[C@]7([C@H](C4=C3O)C6)NC8=NCCC8=C7)C
Compound: Stoloniferone R
SMILES: O=C1[C@]2([C@@](O)([C@H](O)C[C@@H]3[C@@H]2[C@H](OC(=O)C)C[C@@]4([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC[C@@H]34)C)C[C@H](C1)O)C
Compound: [D-Ser1,D-Asp3,Dha7]MC-LR
SMILES: O=C1N[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(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CC(C)C)CO
Compound: purine-6-thiol
SMILES: Sc1ncnc2nc[nH]c12
Compound: Goadvionin B3
SMILES: S1CC2(NC(=O)[C@@H](NC(=O)\C(\NC(C(C2)NC(=O)[C@@H](NC(=O)C(C(O)CCCCCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC(O)CCC(O)C[N+](C)(C)C)C)C)=O)=C/C)[C@H](CC)C)C(=O)N[C@H](C(=O)N[C@H](C(NCC1)=O)CC(=O)N)CCC(=O)N
Compound: Botryochromone
SMILES: O=C1C2=C(O)C(=C(OC)C=C2OC(=C1)C)C[C@@H](C=3OC=CC3)C
Compound: Cyathin W
SMILES: O=C1C(=C2[C@@H]3[C@@]([C@@H](O)[C@H](O)C(=CC3)CO)(C)CC[C@]2([C@@H]1O)C)C(C)C
Compound: Lijiquinone
SMILES: O=C1C=2C(=CC([C@]1(CC(=O)[C@H](CC)C)C)=O)C=C([C@H]3C(=O)C=CC[C@@H]3C)OC2
Compound: [D-Asp3,Ser7]MC-LR
SMILES: O=C1N[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[C@H]1CO)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CC(C)C)C
Compound: 15alpha-acetoxylhydroxytrametenolic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)[C@H](C1)OC(=O)C)C)CCC=C(C)C
Compound: Sch 528647
SMILES: O=C(O[C@H]1[C@@H](OC)[C@H](C(=C)CC1)[C@]2(O[C@@H]2CC=C(C)C)C)/C=C/C=C/C=C/C=C/C(=O)O
Compound: Xylaropyrone B
SMILES: O=C1C(=COC(=C1)[C@@H](O)C[C@@H](CC)C)CO
Compound: Acurin A
SMILES: O=C1N[C@@H](CO)C[C@@H]1C(=O)/C(=C/C=C/C=C/C(=C/C(/C(=O)OC)=C\C)/C)/C
Compound: Microviridin B
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC(=O)NCCCC[C@@H]3NC(=O)[C@H](CC(C)C)NC([C@H]([C@H](OC(C[C@H]4C(N[C@H](C(N[C@H]1CCC(=O)OC[C@H](NC(=O)[C@H]5N(C(=O)[C@H](CC6=CC=C(O)C=C6)NC3=O)CCC5)C(=O)N4)=O)CC=7NC=8C=CC=CC8C7)=O)=O)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C)CC9=CC=CC=C9)[C@H](O)C)=O
Compound: [D-Asp3,ADMAdda5]MC-VR
SMILES: O=C1N[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(=O)C)CC2=CC=CC=C2)C)/C)=O)C(C)C)C
Compound: Nanangelenin A
SMILES: O=C1N(C2=C(C=CC=C2)C(C[C@@H]1NC(=O)C3=C(N(OC(=O)C)C(C=C)(C)C)C=CC=C3)=O)C
Compound: 1'-beta-xylosyl-3,2'-dihydroxy-beta,psi-caroten-4-one
SMILES: O=C1C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(O)C(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)(C)C)\C)\C)\C)/C)/C)C(C)(C)CC1O)C
Compound: Benzastatin I
SMILES: O=C(N)C1=CC(=C(N)C=C1)C/C=C(/CC/C(=C(\CO)/C)/C)\C
Compound: Xylaropyrone C
SMILES: O=C1C(=COC(=C1)[C@H](O)C[C@@H](CC)C)CO
Compound: Rel-(2R,3S,4R,5R)-4-ethyltetrahydro-3-methyl-5-propylfuran-2,3-diol
SMILES: O1[C@H](O)[C@@](O)(C)[C@H](C1CCC)CC
Compound: [D-Asp3,ADMAdda5,Dha7]MC-LR
SMILES: O=C1N[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(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)CC(C)C)C
Compound: Nanangelenin B
SMILES: O=C1NC2=C(C=CC=C2)C(C[C@@H]1NC(=O)C3=C(N)C=CC=C3)=O
Compound: Benzastatin H
SMILES: O=C(N)C1=CC(=C(N)C=C1)C/C=C(/CCC(=C(C)C)CO)\C
Compound: Enokipodin H
SMILES: O=C1C=C([C@@]2(C(C[C@@H](C2)O)(C)C)C)CC[C@@]1(O)C
Compound: Chondrosterin N
SMILES: O=C1C2=C(CC([C@H]2O)(C)C)[C@]3([C@@H]1C[C@@H](O)[C@@H]3C)C
Compound: Adametacorenol A
SMILES: O=C(O[C@H]1[C@H](C(=C)C)[C@]2(CC=C(C)[C@H](C2)O)[C@H](C1)C)C
Compound: [DMAdda5]MC-HilR
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](O)CC2=CC=CC=C2)C)/C)=O)C)C[C@H](CC)C)C
Compound: Nanangelenin C
SMILES: O=C1NC2=C(C=CC=C2)C(C[C@@H]1NC(=O)C3=C(NC(C=C)(C)C)C=CC=C3)=O
Compound: Chondrosterin O
SMILES: O=C1C2=C(CC([C@H]2O)(C)C)[C@]3([C@@H]1C[C@H](O)[C@@H]3C)C
Compound: Nanangelenin D
SMILES: O=C1N(C2=C(C=CC=C2)C(C[C@@H]1NC(=O)C3=C(N)C=CC=C3)=O)C
Compound: 0231B
SMILES: O=C1C2=C3N([C@@H](OC)C4=C3C=CC=C4OC)C=5C2=C(C=C(C)C5)C=C1
Compound: [DMAdda5]MC-LHar
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](CCCCN=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](O)CC2=CC=CC=C2)C)/C)=O)C)CC(C)C)C
Compound: JBIR-20
SMILES: P(=O)(OC1C2OC2CC(O)CCCCCCCCC=CCCCC(OC(CCC1)=O)C)(OCCN)O
Compound: Antineocyclocitrinol A
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3/C(=C\[C@H](O)[C@@H](O)C)/C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: Nanangelenin E
SMILES: O=C1N(C2=C(C=CC=C2)C(C[C@@H]1NC(=O)C3=C(NC(C=C)(C)C)C=CC=C3)=O)C
Compound: Asteltoxin G
SMILES: O=C1OC(=C(C)C(=C1)OC)C=CC=CC=C[C@H]2OC[C@]([C@H]2O)(O)C
Compound: Cyclodysidin B
SMILES: O=C1NC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N)C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](O)C)=O)CO)=O)CC(=O)N)=O)CC2=CC=C(O)C=C2)=O)CCC(=O)N)CO)CCCCCCCCCCC
Compound: 0231A
SMILES: O=C1C2=C3N(C(OC)(OC)C4=C3C=CC=C4OC)C=5C2=C(C=C(C)C5)C=C1
Compound: [D-Asp3,Dha7]MC-FR
SMILES: O=C1N[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(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CC3=CC=CC=C3)C
Compound: Pyripyropene O
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@H]4[C@@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(COC(=O)C)C)CC[C@]4(O3)C)C
Compound: Nanangelenin F
SMILES: O=C1NC2=C(C=CC=C2)C(C[C@@H]1NC(=O)C3=C(N(OC(=O)C)C(C=C)(C)C)C=CC=C3)=O
Compound: Isonanangelenin B
SMILES: O=C1N[C@H](C(=O)NC2=C1C=CC=C2)CC(=O)C3=C(N)C=CC=C3
Compound: Ochratoxin A1
SMILES: ClC1=C2C(C(=O)O[C@H](C2)C)=C(O)C(=C1)C(=O)N[C@@H](C(=O)OCC(O)C(O)CO)CC3=CC=CC=C3
Compound: Atroviridin A
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)N)(C)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C)(C)C)CCC3)(C)C)C)(C)C)C)CCC(=O)N)(C)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: [ADMAdda5,Dha7]MC-LR
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(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)C)CC(C)C)C
Compound: AGI-7
SMILES: O=C1OC=C(C(=O)C)C=2C1=C(O)C=C(O)C2
Compound: Daedaleanic 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(C([C@H](OC(=O)CC(=O)O)CC4)(C)C)CC3)C)C[C@H]2O)(C)CC1)C)C)C)C
Compound: FW05328-1
SMILES: O=C1NC(CC=CC=CC(=CC(=CC=CC(CC(C(C(C(C=CC=CC=C1)C)O)O)O)O)C)C)C
Compound: Streptosactin
SMILES: S1C(NC(=O)[C@H]2N(C(=O)CNC([C@H](C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)C)CO)=O)CCC2)(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC3C(=O)NCC(=O)NCC(NC(SC3)C(=O)N[C@H](C(=O)O)CCCN=C(N)N)=O)CO)CC=4NC=NC4)CO