MonarchInit/C3PO huggingface dataset:
Compound: Oscillacyclamide B
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](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](C(NCC(N4[C@H](C(N[C@H](C5=NC(C(NCC(N[C@H](C(N[C@H](C(NCC(N[C@H]2CO)=O)=O)CC6=CC=CC=C6)=O)CCC(=O)N)=O)=O)=CS5)CC(C)C)=O)CCC4)=O)=O)CC(C)C)=O)CC(=O)N)=O)CC7=CC=CC=C7)=O)[C@H](O)C)CO)CC=8C9=C(C=CC=C9)NC8)CC%10=CC=C(O)C=C%10)CC(=O)O)CO)CO)C(C)C)CO)CC(=O)N
Compound: TAN-1057C
SMILES: O=C1NC(CC(N([C@@H]1CN=C(NC(=O)N)N)C)=O)CCCN=C(N)N
Compound: Lactomycin C
SMILES: O=C1O[C@@H](/C=C/[C@@](O)([C@H](O)C[C@@H](O)/C=C\C=C/[C@H]2C[C@@H](O)CCC2)C)[C@@H](CC)C=C1
Compound: Bipolamine F
SMILES: O1[C@]2([C@@]34O[C@H](C2)C5=CC=C(N5[C@@H]4[C@H]1[C@H](N6C(C)=CC=C36)C)C)[C@@H](O)C
Compound: Chaetomellic acid A
SMILES: O=C(O)/C(=C(\C(=O)O)/C)/CCCCCCCCCCCCCC
Compound: 1E-pitiamide B
SMILES: Cl/C=C/C=C/CCCCCC(=O)C[C@@H](CCNC(=O)CC/C=C/CCC)C
Compound: Bipolamine H
SMILES: O1[C@@]2(C=CC3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@]24O)C)C)[C@@H](O)C
Compound: Radianspene J
SMILES: O=C1NC2=C3C(=O)[C@H](O)[C@@H]([C@]3(CC[C@]4(C2=C1[C@@H](O)CC4)C)C)C(C)C
Compound: Cladosacid
SMILES: O=C1C=C([C@H](CC/C(=C/C(=O)O)/C)C(C1)(C)C)C
Compound: Isokibdelone A alpha-rhamnoside
SMILES: ClC=1C=2C(=O)C3=C(C4=C5OC6=C([C@@H](O)[C@@H](O[C@H]7O[C@@H]([C@@H](O)[C@@H]([C@@H]7O)O)C)C[C@@H]6O)C(C5=C(O)C(=C4C=C3)OC)=O)C(C2C(=O)N(C1CCC)C)=O
Compound: Cortenuamide C
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCC)\C)COC1OC(C(O)C(C1O)O)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCC
Compound: 1Z-pitiamide B
SMILES: Cl/C=C\C=C\CCCCCC(=O)C[C@@H](CCNC(=O)CC/C=C/CCC)C
Compound: Pseudodesmin C
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@@H](NC(=O)C[C@H](O)CCCCCCC)CC(C)C)CCC(=O)N)[C@H](O)C)C(C)C)CC(C)C)CO)CC(C)C)CO)[C@H](CC)C
Compound: Tetradecadienoyl-homoserine lactone
SMILES: O=C1OCC[C@@H]1NC(=O)/C=C\CCCC/C=C\CCCCC
Compound: Cladodionen
SMILES: O=C1NC(=C(C)C)C(C1=C2O[C@H](CC=C2)C)=O
Compound: N1,N7-bis-(2,3-dihydroxybenzoyl)norpermidine
SMILES: O=C(NCCCNCCCNC(=O)C1=C(O)C(O)=CC=C1)C2=C(O)C(O)=CC=C2
Compound: Lanopylin A1
SMILES: N1=C(/C(=C/CCCCCCCCCCCCCC(C)C)/CC1)C
Compound: Portoamide A
SMILES: O=C/1N[C@H](C(=O)N[C@@H](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(OC(=O)[C@@H](N(C(=O)C)C)CC5=CC=C(O)C=C5)CC(O)C(O)CC(C)C)CCC2)CCC6=CC=C(OC)C=C6)[C@H](O)C
Compound: Victorinine B
SMILES: Cl/C=C\1/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CC(CCl)C)[C@H](O)CCCN)[C@@H](OC=2CC(C(C2C[C@H](NC1=O)C(=O)O)=O)O)C(C)C
Compound: Ganbajunin 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)CC5=CC=CC=C5
Compound: Tetrocarcin Q
SMILES: O=[N+]([O-])[C@@]1([C@@H](N)[C@H](O[C@H](C1)O[C@@H]2C(=C[C@H]3[C@@]4(OC(=O)C(C4=O)=C([C@@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](OC(=O)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O[C@@H]%10O[C@H]([C@H](O)CC%10)C)[C@@H](C9)O)C)CC8)C)COC(=O)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)CC(C=O)=C[C@@H]3O)C)C(=O)OC)C
Compound: Clitocybulol A
SMILES: O1[C@@]2(O)[C@](O)(C3=C(CC(C3)(C)C)[C@H](C2)C)C(C1)=C
Compound: 2beta,3beta,13-trihydroxyledol
SMILES: O[C@]1([C@H]2[C@H](O)[C@H](O)[C@H]([C@H]2[C@@H]3[C@](CO)(C)[C@@H]3CC1)C)C
Compound: Portoamide B
SMILES: O=C/1N[C@H](C(=O)N[C@@H](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(OC(=O)[C@@H](N(C(=O)C)C)CC5=CC=C(O)C=C5)CC(O)C(O)CC(C)C)CCC2)CCC6=CC=CC=C6)[C@H](O)C
Compound: Victorinine D
SMILES: Cl/C=C\1/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CC(C(Cl)Cl)C)[C@H](O)CCCN)[C@@H](OC=2CCC(C2C[C@H](NC1=O)C(=O)O)=O)C(C)C
Compound: 3-Hydroxymethyl-6,8-dimethoxycoumarin
SMILES: O=C1OC2=C(OC)C=C(OC)C=C2C=C1CO
Compound: Fluostatin M
SMILES: O=C1C2=C(C=3C(=O)C=4C=CC=C(C4C3C(=C2)O)OC)[C@@H](O)[C@@H]([C@@H]1C)O
Compound: Nocardiopsin B
SMILES: O=C1N2[C@H](C(=O)OC(C(O)CC(O)CC)(CC(C3OC(CC3)CCC=C(C(C(CCC=C1)C)=O)C)C)C)CCCC2
Compound: Talarolutin B
SMILES: O=C1C2=C(O[C@@]3(CC[C@@H]4[C@@]([C@H]3C2)([C@@H](O)C[C@@H](O)C4(C)C)C)C)O[C@@H](C1)C
Compound: 7-Chloro-6,8-dihydroxy-1-meth-oxy-3-methylanthraquinone
SMILES: ClC1=C(O)C=2C(=O)C3=C(OC)C=C(C)C=C3C(C2C=C1O)=O
Compound: Victorinine E
SMILES: Cl/C=C\1/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CC(C(Cl)(Cl)Cl)C)[C@H](O)CCCN)[C@@H](OC=2CC(C(C2C[C@H](NC1=O)C(=O)O)=O)O)C(C)C
Compound: Portoamide C
SMILES: O=C/1N[C@H](C(=O)N[C@@H](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: Fluostatin N
SMILES: O=C1C2=C3C(=CC(=C2C4=C1C=CC=C4OC)O)[C@@H](O)[C@@H](C)[C@H]([C@@H]3O)O
Compound: 3alpha-(4-carboxymethyl-3-hydroxy-3-methylbutanoyloxy)-lanosta-8,24-dien-21-oic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4(C(C([C@H](OC(=O)CC(O)(CC(=O)OC)C)CC4)(C)C)CC3)C)CC2)(C)CC1)C)CCC=C(C)C
Compound: Citrinamide A
SMILES: O=C(NC1=C(C(=O)CCNC(=O)CC[C@H](NC(=O)C)C(=O)O)C=CC=C1)C(C=C)(C)C
Compound: Portoamide D
SMILES: O=C/1N[C@H](C(=O)N[C@@H](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=CC=C5)[C@H](O)C
Compound: Bn-Bac
SMILES: O=C(O[C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]([C@H]1NC(=O)C)C)OCC2=CC=CC=C2)C
Compound: Rubiginosin A
SMILES: O=C1C2=C(C=C(/C=C/COC(=O)C)OC2)C[C@H]([C@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Compound: Fluostatin O
SMILES: O=C1C2=C3C(=CC(=C2C4=C1C=CC=C4OC)O)[C@@H](O)[C@@H](C)C[C@@H]3O
Compound: PGL K5
SMILES: O=C(OC(CC1=CC=C(O[C@H]2OC([C@@H](OC)C(C2OC)O[C@H]3OC([C@@H](O)C(C3OC)O[C@H]4OC([C@H](OC(=O)CC)C(C4OC)O[C@@H]5OC([C@@H](OC)C(C5)O)C)C)C)C)C=C1)CC(OC(=O)C(CCC)C)CCCCC(C(OC)CC)C)C(CCC)C
Compound: Urauchimycin B
SMILES: O=C1OC(C(O)C(CCC(C)C)C(OC(C1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Fluostatin P
SMILES: O=C1C2=C3C(=CC(=C2C4=C1C=CC=C4OC)O)[C@@H](O)[C@@](O)(C)[C@H]([C@@H]3O)O
Compound: Shearinine F
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=C7C8=C(C(OC(C8)(C)C)(C)C)CC7=CC6C5C[C@@H]4CC3)C)(CC[C@@]29O[C@@H]1C(O9)(C)C)C
Compound: Bn-DAT
SMILES: O=C(O[C@@H]1[C@@H](NC(=O)C)C(O[C@@H]([C@@H]1NC(=O)C)C)OCC2=CC=CC=C2)C
Compound: Nigrospin A
SMILES: O=C(O)C=1C2=C(C3=C(OC(C)(C)[C@@H]([C@H]3O)O)C=C2)NC1
Compound: Anabaenolysin C
SMILES: O=C1NC2C(OC(C2)=O)C(O)C(=O)N[C@@H](CCC(=O)N)C(NCC(NC(C1O)C/C=C/C=C/C=C/CCCCCCC=C)=O)=O
Compound: Menaquinone MK-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
Compound: Fluostatin Q
SMILES: O=C1C2=C3C(=CC(=C2C4=C1C=CC=C4OC)O)[C@@H](O)[C@]5(C)[C@H]([C@@H]3O)O5
Compound: Chrondramide 13C
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(C2)=O)C)C)C)C)C)CC=3C4=C(C=CC=C4)NC3
Compound: Anabaenolysin D
SMILES: O=C1NC2C(OC(C2)=O)C(O)C(=O)N[C@@H](CCC(=O)N)C(NCC(NC(C1O)C/C=C/C=C/C=C/CCCCCCCC)=O)=O
Compound: Ficiolide E
SMILES: O=C1O[C@@H](CCC(=O)[C@H](O)CC(=O)O[C@@H](CC[C@H](C=C1)O)C)C
Compound: Bn-FucNAc
SMILES: O=C(O[C@H]1[C@@H](OC(=O)C)[C@H](O[C@@H]([C@@H]1NC(=O)C)OCC2=CC=CC=C2)C)C
Compound: Pheofungin C
SMILES: S1C2=C(NC3=C1C=C(C)C=C3O)C(=O)OC4=C2C(=CC(=C4O)OC5=C(O)C(O)=CC(=C5)C)C
Compound: Phocoenamicin B
SMILES: ClC1=C(C(=C(O)C=C1)C(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@H]3O)C)O[C@@H]4[C@H]5C=CC6[C@@H](C=CC[C@]7([C@]8(C(C(=C([C@]6([C@@H]5[C@@H](C)C[C@H]4C)C)O)C(=O)O8)=O)C[C@@H](C[C@H](O)[C@@](O)(C(=O)C)C)C(=C7)CO)C)C)O[C@@H]2C)C
Compound: F-Bac
SMILES: F[C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]([C@H]1NC(=O)C)C)OC(=O)C
Compound: Lanopylin A2
SMILES: N1=C(/C(=C/CCCCCCCCCC/C=C\CCCC(C)C)/CC1)C
Compound: Pestalothiopsone C
SMILES: O=C1C2=C(OC(=C1)CCCCCCC)C=C(O)C=C2CC(=O)O
Compound: 6-O-acetyl-alpha-cyclodextrin
SMILES: O=C(OC[C@H]1OC2O[C@H]3[C@H](O)[C@@H](O)C(O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@H](C(O[C@@H]6[C@H](OC(O[C@@H]7[C@H](OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6O)CO)O[C@@H]5CO)O)O[C@@H]4CO)O[C@@H]3CO)C
Compound: Mycoleptodiscin B
SMILES: O=C1C(=O)C=C2[C@]3([C@@](O)([C@@]4([C@H](C(CCC4)(C)C)CC3)C)CC=5C2=C1NC5)C
Compound: L-idarate(2-)
SMILES: O[C@@H]([C@H](O)[C@@H](O)C([O-])=O)[C@@H](O)C([O-])=O
Compound: Phocoenamicin C
SMILES: ClC1=C(C(=C(O)C=C1)C(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@H]3O)C)O[C@@H]4[C@H]5C=CC6[C@@H](C=CC[C@@]7(C=C(C)[C@@H](C[C@]87C(=C(OC([C@]6([C@@H]5[C@@H](C)C[C@H]4C)C)=O)C(=O)O8)O)C[C@H](O)[C@@](O)(C(=O)C)C)C)C)O[C@@H]2C)C
Compound: F-FucNAc
SMILES: F[C@H]1[C@@H](OC(=O)C)[C@H](O[C@@H]([C@@H]1NC(=O)C)OC(=O)C)C
Compound: Spliceostatin G
SMILES: O=C(O)/C=C/C(=C/C[C@@H]1O[C@@H]([C@H](NC(=O)/C=C\[C@@H](OC(=O)C)C)C[C@@H]1C)C)/C
Compound: 1,2,3,4-tetrahydroquinoline
SMILES: C1CNc2ccccc2C1
Compound: 1'-hydroxyisorhodoptilometrin
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C=3C1=C(O)C=C([C@H](O)[C@H](O)C)C3
Compound: 6-O-diacetyl(A,B)-alpha-cyclodextrin
SMILES: O=C(OC[C@H]1OC2O[C@H]3[C@H](O)[C@@H](O)C(O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@H](C(O[C@@H]6[C@H](OC(O[C@@H]7[C@H](OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)COC(=O)C)[C@H](O)[C@H]6O)CO)O[C@@H]5CO)O)O[C@@H]4CO)O[C@@H]3CO)C
Compound: Nodulisporic acid D2
SMILES: O=C(O)[C@H]([C@@H](O)[C@H]1O[C@@]2(O)CC[C@]3([C@H]([C@@]2(C1)C)CC[C@@H]4[C@@]3(C=5NC=6C=C7C[C@@H]8C(OC(C=C8C7=CC6C5C4)(C)C)(C)C)C)C)C
Compound: Penicieudesmol A
SMILES: O[C@H]1[C@]2([C@H]([C@@H](C)C[C@@H]1O)C[C@H](C(=C)C)CC2)C
Compound: F-DAT
SMILES: F[C@@H]1[C@@H](NC(=O)C)C(O[C@@H]([C@@H]1NC(=O)C)C)OC(=O)C
Compound: Viridiofungin C
SMILES: O=C(O)C(O)(C(C(=O)NC(C(=O)O)CC=1C2=C(C=CC=C2)NC1)/C=C/CCCCCCC(=O)CCCCCCC)CC(=O)O
Compound: L-idaric acid
SMILES: [H][C@](O)(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C(O)=O
Compound: 6-O-diacetyl(A,C)-alpha-cyclodextrin
SMILES: O=C(OC[C@H]1OC2O[C@H]3[C@H](O)[C@@H](O)C(O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@H](C(O[C@@H]6[C@H](OC(O[C@@H]7[C@H](OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6O)COC(=O)C)O[C@@H]5CO)O)O[C@@H]4CO)O[C@@H]3CO)C
Compound: Penicieudesmol B
SMILES: O[C@]1(C(=C)C)C[C@@H]2[C@@]([C@H](O)[C@@H](O)C[C@@H]2C)(C)CC1
Compound: (D-Asp1)Nodularin
SMILES: O=C/1N[C@@H](C(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)[C@@H](C(N[C@H](CCC(N(\C1=C/C)C)=O)C(=O)O)=O)C)CCCN=C(N)N
Compound: Paeciloketal A
SMILES: O=C(C1=C2C(O[C@]3(OCC4=C3C=CC=C4O)C(=C2)CCCCCCC)=CC=C1)CCCCCCCC
Compound: (4R,7S,8R,11S,12S)-4,8-dihydroxy-12-[(6S,8Z,10S,11S)-11-hydroxy-6,10-dimethyltrideca-2,4,8-trien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one
SMILES: O=C1O[C@H](C(=CC=C[C@H](C/C=C\[C@@H]([C@@H](O)CC)C)C)C)[C@H](C=C[C@H](O)[C@H](CC[C@H](C1)O)C)C
Compound: 2-(2,5-dihydroxyphenyl)-3-methoxy-5-phenylbenzene-1,4-diol
SMILES: O(C1=C(O)C(C2=CC=CC=C2)=CC(=C1C3=C(O)C=CC(=C3)O)O)C
Compound: 6-O-triacetyl(A,B,C)-alpha-cyclodextrin
SMILES: O=C(OC[C@H]1OC2O[C@H]3[C@H](O)[C@@H](O)C(O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@H](C(O[C@@H]6[C@H](OC(O[C@@H]7[C@H](OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)COC(=O)C)[C@H](O)[C@H]6O)CO)O[C@@H]5CO)O)O[C@@H]4CO)O[C@@H]3COC(=O)C)C
Compound: Laetiposide A
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4(C(C([C@@H](O)CC4)(C)C)C[C@H]3OC5OC(C(O)C(C5O)O)CO)C)CC2)(C)CC1)C)CCC(=C)C(C)C
Compound: 1-formyl-5-hydroxyaszonalenin
SMILES: O=C1N2[C@H]3N(C=4C=CC(=CC4[C@@]3(C(C=C)(C)C)C[C@@H]2C(=O)NC5=C1C=CC=C5)O)C=O
Compound: Penicieudesmol C
SMILES: O[C@@]12[C@]([C@H](O)[C@@H](O)C[C@@H]1C)(CC[C@H](C2)C(=C)C)C
Compound: Deoxypladienolide B
SMILES: O=C1O[C@H](C(=CC=C[C@H](C[C@H]2O[C@@H]2[C@@H]([C@@H](O)CC)C)C)C)[C@H](C=C[C@H](OC(=O)C)[C@H](CC[C@H](C1)O)C)C
Compound: Myxochromide B3
SMILES: O=C1O[C@@H]([C@H](N(C(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N2[C@H](C(N[C@H](C(N[C@H]1CCC(=O)N)=O)C)=O)CCC2)=O)CC(C)C)CC(C)C)C)C
Compound: 6-O-triacetyl(A,C,E)-alpha-cyclodextrin
SMILES: O=C(OC[C@H]1OC2O[C@H]3[C@H](O)[C@@H](O)C(O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@H](C(O[C@@H]6[C@H](OC(O[C@@H]7[C@H](OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6O)COC(=O)C)O[C@@H]5CO)O)O[C@@H]4COC(=O)C)O[C@@H]3CO)C
Compound: methyl 2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetate
SMILES: O=C(OC)CC1=C(C(O)=C(C)C(=C1C)O)C(=O)C
Compound: Streptol
SMILES: O[C@@H]1C(=C[C@H](O)[C@@H]([C@H]1O)O)CO
Compound: Penicieudesmol D
SMILES: O[C@@]12[C@]([C@H](O)[C@@H](O)C[C@@H]1C)(CC[C@@](C2)(O)C(=C)C)C
Compound: Demycarosyl-mithramycin
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)O[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O)C)C)C=C3C=C2C[C@H]([C@@H]1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@H](O)[C@@H](C7)O[C@@H]8O[C@@H]([C@@H](O)[C@](C8)(O)C)C)C)C)[C@H](OC)C(=O)O)C
Compound: [(2S,3S,6R,7S,10R)-10-hydroxy-2-[(6S,8Z,10S,11S)-11-hydroxy-6,10-dimethyltrideca-2,4,8-trien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate
SMILES: O=C1O[C@H](C(=CC=C[C@H](C/C=C\[C@@H]([C@@H](O)CC)C)C)C)[C@H](C=C[C@H](OC(=O)C)[C@H](CC[C@H](C1)O)C)C
Compound: 6-O-tetraacetyl(A,B,C,E)-alpha-cyclodextrin
SMILES: O=C(OC[C@H]1OC2O[C@H]3[C@H](O)[C@@H](O)C(O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@H](C(O[C@@H]6[C@H](OC(O[C@@H]7[C@H](OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)COC(=O)C)[C@H](O)[C@H]6O)CO)O[C@@H]5COC(=O)C)O)O[C@@H]4CO)O[C@@H]3COC(=O)C)C
Compound: Mangicol G
SMILES: O1C(C(O)C(O)C[C@@]2([C@@H]3[C@](C=C4[C@@H](C)CC[C@@]54[C@H]3CC[C@@H]5C)(C)CC2)C)(C)C1
Compound: CJ-16,169
SMILES: O=C1C(C2=CC=CC=C2)=CNC3=C1[C@]([C@@H](/C(=C/C)/C)O3)(CO)C
Compound: Bosamycin A
SMILES: O=C(O)[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CC1=CC=C(O)C=C1)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)CC(C)C)CC2=C(OC)C=C(O)C=C2)CO
Compound: Brevione O
SMILES: O=C1OC(=C(C)C2=C1C[C@@]3(C(=C[C@H](O)[C@H]4[C@]3(CC[C@@H]5[C@@]4([C@H](O)CC(=O)C5(C)C)C)C)C)O2)C
Compound: SMTP-4
SMILES: O=C1N(C(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: Palmarumycin CP17
SMILES: O=C1C2=C(O)C=CC(=C2C3(OC=4C=5C(C=CC4)=CC=CC5O3)CC1)O
Compound: 6-O-tetraacetyl(A,B,D,E)-alpha-cyclodextrin
SMILES: O=C(OC[C@H]1OC2O[C@H]3[C@H](O)[C@@H](O)C(O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@H](C(O[C@@H]6[C@H](OC(O[C@@H]7[C@H](OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)COC(=O)C)[C@H](O)[C@H]6O)CO)O[C@@H]5COC(=O)C)O)O[C@@H]4COC(=O)C)O[C@@H]3CO)C
Compound: Torrubiellin A
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=CC3)C4=C(C[C@]56[C@H]4C=CC(=O)C5=C(O)C=7C(O)=CC(=CC7[C@H]6O)C)C=C2O
Compound: Bosamycin B
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)N[C@H](C(=O)NCC(=O)O)CC(C)C)CC1=C(OC)C=C(O)C=C1)CO)[C@@H](O)C(=O)O)CC(C)C)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)N
Compound: 28-acetoxy-12beta,15alpha,25-trihydroxyergosta-4,6,8(14),22-tetraen-3-one
SMILES: O=C1C=C2C=CC3=C4[C@]([C@@H]([C@@H](C=C[C@@H](C(O)(C)C)COC(=O)C)C)C[C@@H]4O)(C)[C@@H](C[C@@H]3[C@@]2(C)CC1)O
Compound: Versisponic acid B
SMILES: O=C1C(C2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC=C(C)C)C[C@@H]4OC(=O)C)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: L-idonic acid
SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
Compound: Aranciamycin
SMILES: O=C1C2=C(O)C3=C(C(=O)[C@](O)(C)[C@H]([C@@H]3O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4OC)O)C)OC)C=C2C(=O)C=5C1=C(O)C=CC5
Compound: 6-O-acetyl-beta-cyclodextrin
SMILES: O=C(OC[C@H]1OC2O[C@H]3[C@H](O)[C@@H](O)C(O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@@H](O)C(O[C@@H]5CO)O[C@@H]6[C@H](OC(O[C@@H]7[C@H](OC(O[C@@H]8[C@H](OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)CO)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6O)CO)O[C@@H]4CO)O[C@@H]3CO)C
Compound: 3-(3,3-dichloro-2-hydroxylpropyl)-6-methoxy-8-O-beta-D-glucopyranosyl-1H-isochromen-1-one
SMILES: ClC(Cl)C(O)CC=1OC(=O)C=2C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)=CC(=CC2C1)OC
Compound: Bosamycin C
SMILES: O=C(O)NC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)CC(C)C)CC1=C(OC)C=C(O)C=C1)CO)[C@@H](O)C(=O)O)CC(C)C)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3
Compound: Altercrasin A
SMILES: O=C1N[C@@H]([C@H](O)C)C([C@@]12C(=O)[C@]3([C@H]4[C@@H](C[C@H](C)CC4)C=C[C@H]3[C@@H]2/C=C/[C@H](O)C)C)=O
Compound: 1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one
SMILES: O=C1N(O)[C@@H](O)C(=C1CC(C)C)C2=CC=C(OCC=C(C)C)C=C2
Compound: 6-O-diacetyl(A,B)-beta-cyclodextrin
SMILES: O=C(OC[C@H]1OC2O[C@H]3[C@H](O)[C@@H](O)C(O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@@H](O)C(O[C@@H]5CO)O[C@@H]6[C@H](OC(O[C@@H]7[C@H](OC(O[C@@H]8[C@H](OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)COC(=O)C)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6O)CO)O[C@@H]4CO)O[C@@H]3CO)C
Compound: Tolyporphin E
SMILES: O=C1C=2N=C(C1(OC(=O)C)C)C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5)C)C(C4=O)(C6OC(C(O)CC6OC(=O)C)C)C)C=C3C
Compound: 4-epi-seco-shornephine a methyl ester
SMILES: O=C1NC=2C(O)=CC=CC2[C@]1(C(C=C)(C)C)C[C@@H](NC(=O)[C@@H](O)CC3=CC=CC=C3)C(=O)OC
Compound: Guignarderemophilane B
SMILES: O=C1C=C2[C@]([C@H](C[C@H]([C@H]2O)O)C)(C)C[C@@H]1C(=C)C
Compound: Bosamycin D
SMILES: O=C(O)[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)CC(C)C)CC3=C(OC)C=C(O)C=C3)CO
Compound: Protetrone
SMILES: O=C1C2=C(O)C(=C(CC(=O)O)C=C2C(=O)C=3C1=C(O)C=CC3)C(=O)CC(=O)N
Compound: (5E)-5-[(E)-but-2-enylidene]-3-ethyl-2,3,4,7a-tetrahydro-1H-cyclopenta[b]pyridine-4,4a-diol
SMILES: OC12/C(/C=CC1NCC(C2O)CC)=C/C=C/C
Compound: 4-epi-seco-shornephine a carboxylic acid
SMILES: O=C1NC=2C(O)=CC=CC2[C@]1(C(C=C)(C)C)C[C@@H](NC(=O)[C@@H](O)CC3=CC=CC=C3)C(=O)O
Compound: 6-O-triacetyl(A,B,D)-beta-cyclodextrin
SMILES: O=C(OC[C@H]1OC2O[C@H]3[C@H](O)[C@@H](O)C(O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@@H](O)C(O[C@@H]5CO)O[C@@H]6[C@H](OC(O[C@@H]7[C@H](OC(O[C@@H]8[C@H](OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)COC(=O)C)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6O)CO)O[C@@H]4COC(=O)C)O[C@@H]3CO)C
Compound: Cyrmenin A
SMILES: O=C(OC)/C(/NC(=O)C(NC(=O)/C(=C/C=C\CCCCCC(C)C)/C)=C)=C/OC
Compound: PD-118576-A3
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)OC(=O)/C=C/C(=O)O)C)OC)C)C
Compound: Bosamycin E
SMILES: O=C(O)NC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)OC)CC(C)C)CC1=C(OC)C=C(O)C=C1)CO)[C@@H](O)C(=O)O)CC(C)C)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3
Compound: Harziandione
SMILES: O=C1[C@@H]2C([C@]3(CCC(C)=C4[C@]([C@@H]3C2)(CC4=O)C)[C@@H](C1)C)(C)C
Compound: 6-O-triacetyl(A,B,E)-beta-cyclodextrin
SMILES: O=C(OC[C@H]1OC2O[C@H]3[C@H](O)[C@@H](O)C(O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@@H](O)C(O[C@@H]5COC(=O)C)O[C@@H]6[C@H](OC(O[C@@H]7[C@H](OC(O[C@@H]8[C@H](OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)COC(=O)C)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6O)CO)O[C@@H]4CO)O[C@@H]3CO)C
Compound: aldehydo-L-iduronate
SMILES: O[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
Compound: Candidusin D
SMILES: O(C1=C(OC)C(=C(OC)C(=C1C=2C3=C(C=CC(=C3)OC)NC2)OC)C=4C5=C(C=CC(=C5)OC)NC4)C
Compound: Taxlllaid G
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)C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)C)[C@@H](NC(=O)CCCC(C)C)[C@H](O)C
Compound: Aqabamycin D
SMILES: O=[N+]([O-])C1=C(O)C=CC(=C1)C=2C(=O)NC(C2C3=CC([N+](=O)[O-])=C(O)C=C3)=O
Compound: Bosamycin F
SMILES: O=C(O)[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)OC)CC(C)C)CC3=C(OC)C=C(O)C=C3)CO
Compound: Ustilipid D1
SMILES: O=C(O[C@@H]1[C@@H](O[C@H](CO)[C@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)OC(=O)C)OC[C@@H](O)[C@@H](O)CO)C(C)C
Compound: Antartin
SMILES: O=C(O)C1=C(N[C@H]2C3=C(C([C@@H]4C[C@]3(CC4)[C@H](C2)C)(C)C)C)C=CC=C1
Compound: 20-Deoxycytochalasin F
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3C=CC[C@H](C)CCCCC=C1)O4)C)CC5=CC=CC=C5
Compound: Mutaxanthene B
SMILES: O=C1C=2OC3C(=O)C(=C(O)C(C3(C(=O)O)CC2C(=O)C=4C1=C(OC)C=CC4)OC)C(=O)CC
Compound: 3-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-4-(hydroxymethyl)uran-2,5-dione
SMILES: O=C1OC(=O)C(=C1[C@@H](CC=2C(=O)OC(C2CO)=O)CCCCC)CC(=O)CCCC
Compound: Microginin 770
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(O)C(NC)CCCCCCC)C(C)C)CC(C)C)CCC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Psoracorylifol B
SMILES: O1[C@]2(O[C@@H]([C@H]1C3=CC=C(O)C=C3)[C@@](C=C)(C)CC2)C(C)C
Compound: Eurotiumin A
SMILES: O=C1N2[C@@]3(NC=4C=CC=CC4[C@]3(O)C[C@H]2C(=O)N[C@H]1C)C(C=C)(C)C
Compound: Methylmenaquinone MMK-8
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(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)C)C(=CC=C2)C
Compound: 12,13-Deoxyroridin E
SMILES: O=C1OC[C@@]23[C@@]4(C(=C)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=C[C@@H](OCCC(=C1)C)[C@H](O)C)C
Compound: Microginin 756
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(O)C(N)CCCCCCC)C(C)C)CC(C)C)CCC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: 4-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-2-hydroxy-5-oxo-2H-uran-3-carboxylic acid
SMILES: O=C1OC(=O)C(=C1[C@@H](CC=2C(=O)OC(C2C(=O)O)O)CCCCC)CC(=O)CCCC
Compound: Pyrronazol C1
SMILES: ClC=1NC(/C=C(/C=2OC=C(N2)C(O)C(C(O)C)C)\C)=CC1
Compound: Eurotiumin B
SMILES: O=C1N2[C@]3(NC=4C=CC=CC4[C@@]3(O)C[C@H]2C(=O)N[C@H]1C)C(C=C)(C)C
Compound: Rubrifacine
SMILES: O=C1NC(=C(C=2NC(=O)C(C2CC(=O)O)=O)C(=C1O)O)CC(=O)O
Compound: Mutadione C
SMILES: O=C1OC=2C=C(O)C(=C(C2[C@]13C(=O)C(O)=C(C3=O)CCCCCCCCCCCCCCC)CCCCCCC/C=C\C/C=C\CCCCC)O
Compound: Microginin FR1
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)C)C)CC(C)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Eurotiumin C
SMILES: O=C/1N/C(/C(=O)N\C1=C/C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)=C\C
Compound: Dipodazine
SMILES: O=C/1NCC(=O)N\C1=C/C=2C3=C(C=CC=C3)NC2
Compound: P-nitrobenzoate
SMILES: O=[N+]([O-])C1=CC=C(C(=O)O[C@@H]([C@H]2C=3C(=O)OC(C3C[C@@H](CCCC)C4=C(C2)C(=O)OC4=O)=O)CCCC)C=C1
Compound: Parasitenone
SMILES: O=C1C=C([C@H](O)[C@H]2[C@@H]1O2)CO
Compound: 5-hydroxy-deoxyscytalidin
SMILES: O=C1OC(=O)C2=C1[C@H](O)[C@@H](CC=3C(=O)OC(C3[C@@H](C2)CCCCC)=O)CCCC
Compound: Asperochrin B
SMILES: O=C1O[C@@H](C)C=C1CC(=O)[C@@H](O)C
Compound: Eurotiumin D
SMILES: O=C(N)C=1C2=C(C=CC=C2)NC1C(C=C)(C)C
Compound: Fischerellin A
SMILES: O=C1N(C(C)C(=C1C2=N[C@@H](CC(C/C=C/C#CC#CCCCCC)C)C[C@H]2C)O)C
Compound: Palythinol
SMILES: O=C(O)CN=C1C(OC)=C(NC(CO)C)CC(C1)(O)CO
Compound: WAP-8294Ax9
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(N(C1C(C)C)C)=O)CCCN)=O)CC=2C3=C(C=CC=C3)NC2)=O)CC(=O)N)=O)CCC(=O)O)=O)CCCN)=O)CC(C)C)CC4=CC=CC=C4)CO)C(O)C(=O)N)CO)CCCC(C)C
Compound: Parmosidone F
SMILES: O=C1OC2=C(C(=C(C(=O)O)C(=C2COC)O)C)OC3=C1C(=CC(=C3/C=C/C(=O)C)O)C
Compound: Nigerasterol B
SMILES: O1O[C@]23C=CC=4[C@@]1([C@]3(CC[C@@H](C2)O)C)CC[C@]5(C4[C@H](O)C[C@@H]5[C@@H](/C=C/C(C(C)C)C)C)C
Compound: Eurotiumin E
SMILES: O(C1=CC=C(CC2=NC(=C(CC3=CC=C(OC)C=C3)C=N2)C)C=C1)C
Compound: (9Z,3R,3'R)-zeaxanthin di-alpha-L-rhamnopyranoside
SMILES: O1[C@@H](O[C@@H]2CC(=C(/C=C/C(=C\C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C3=C(C[C@@H](O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)CC3(C)C)C)\C)\C)/C)/C)C(C2)(C)C)C)[C@H](O)[C@H](O)[C@H]([C@@H]1C)O
Compound: Nostoc-756
SMILES: O=C1C(OC)=C(NC(C(=O)O)CCCN=C2C(OC)C(NCCCC(NC3=C(OC)C(=O)CC(C3)(O)CO)C(=O)O)=CC(C2)(O)CO)CC(C1)(O)CO
Compound: Xestodecalactone D
SMILES: O=C1O[C@H](C[C@H](O)CC(C2=C(C1)C=C(O)C(=C2O)OC)=O)C
Compound: Parmosidone G
SMILES: O=C1OC2=C(C(=CC(=C2CC3=C(O)C(=C(O)C(=C3C)C(=O)OC)C)O)C)OC4=C1C(=CC(=C4C=O)O)C
Compound: Fumonisin P3
SMILES: O=C(O)C(CC(=O)OC(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCCCC(O)C([N+]1=CC(O)=CC=C1)C)C)C(CCCC)C)CC(=O)O
Compound: 9,10-diolhinokiic acid
SMILES: O=C(O)C1=CC[C@@]2(C[C@@H](O)[C@H](C([C@@]32[C@H]1C3)(C)C)O)C
Compound: Cyanopeptolin 1138
SMILES: S(=O)(=O)(OCC(OC)C(=O)NC(C(=O)NC1C(=O)NC(C(=O)NC2C(=O)N(C(C(CC)C)C(N(C(C(NC(C(OC1C)=O)C(CC)C)=O)CC3=CC=CC=C3)C)=O)C(O)CC2)CCC4=CC=C(O)C=C4)CCC5=CC=C(O)C=C5)O
Compound: Microcystin-FA
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)CC3=CC=CC=C3)C
Compound: Diaporol D
SMILES: O=C1C[C@]2([C@@H](CC[C@]([C@@H]2CO)(O)C)C(C1)(C)C)C
Compound: Parmosidone H
SMILES: O=C1OC2=C(C(=CC(=C2CC3=C(O)C(=C(O)C(=C3C)C(=O)OC)C)O)C)OC4=C1C(=CC(=C4C=CC(=O)C)O)C
Compound: Leustroducsin C
SMILES: P(=O)(O[C@@H](C(O)(/C=C/[C@@H]1OC(=O)C=C[C@@H]1CC)CCN)C[C@@H](O)/C=C\C=C/[C@H]2C[C@@H](OC(=O)CCCCCC(C)C)CCC2)(O)O
Compound: (+)-(1R,3R,6S,7S,11S)-3,12-dihydroxy-alpha-muurolene
SMILES: O[C@H]1C(=C[C@@H]2[C@@H]([C@@H](CO)C)CC=C([C@@H]2C1)C)C
Compound: Parmosidone I
SMILES: O=C1OC2=C(C(=C(C(=O)O)C(=C2CC3=C(O)C(=C(O)C(=C3C)C(=O)OC)C=O)O)C)OC4=C1C(=CC(=C4C=O)O)C
Compound: Roubetaoellol C
SMILES: O=C1O[C@]2(O)[C@@H](O)[C@H](C)[C@H]3[C@@H]2C1=CC[C@H]4C(=CC[C@]4(C)C3)C(CO)C
Compound: Microcyclamide 7806A
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C=3O[C@H](C)[C@H](N3)C(=O)NC(C4=NC(C(N[C@@H]2[C@H](CC)C)=O)=CO4)C(C)C)C
Compound: Phomalide
SMILES: O=C/1O[C@H](C(=O)O[C@H](C(=O)N[C@@H](C(N[C@H](C(N\C1=C\C)=O)C(C)C)=O)CC(C)C)CC(C)C)CC2=CC=CC=C2
Compound: Grincamycin C
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC(=C3O)C[C@@](O)(CC(=O)O)C)[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H](C(=O)CC6)C)CC5)C)[C@@H](C4)O)C
Compound: Shengjimycin A1
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)OC(=O)CC)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: Parmosidone J
SMILES: O=C1OC2=C(C(=C(O)C(=C2C)C(=O)O)COC)OC3=C1C(=CC4=C3C=C[C@](O4)(O)C)C
Compound: 3-hydroxy-K252d
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C5=C3C=C(O)C=C5)=C6NC7=C(C26)C=CC=C7
Compound: Microviridin L
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CC(=O)NCCCC[C@@H]3NC(=O)[C@@H](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](NC3=O)CC6=CC=C(O)C=C6)CCC5)C(=O)N4)=O)CC=7C8=C(C=CC=C8)NC7)=O)=O)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)C)CC9=CC=C(O)C=C9)=O)CC%10=CC=CC=C%10
Compound: Ascomycone B
SMILES: O=C1C2=C(C(=O)C3=C1C=C(OC)C=C3O)[C@H](OC(=C2)C)O
Compound: 3-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILES: O=C1NC(C(=O)NC1C(C)C)CC=2C3=C(C=CC=C3)N(C2)CC=C(C)C
Compound: 3beta,15beta-dihydroxy-7,11,23-trioxo-lanost-8,16-dien-26-oic acid methyl ester
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4([C@H](O)C=C([C@]4(C1)C)[C@@H](CC(=O)CC(C(=O)OC)C)C)C
Compound: Nostophycin B
SMILES: O=C1N2[C@@H](C(=O)NC(C(O)C(=O)N[C@H](C(=O)NCC(N3[C@@H](C(N[C@@H](C(NC1C(C)C)=O)CC4=CC=CC=C4)=O)CCC3)=O)CCC(=O)N)CC(O)CCCC5=CC=CC=C5)CCC2
Compound: (-)-4,8-dihydroxy-7-(2-hydroxy-ethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@H](O)CC1)CCO
Compound: Guignardone O
SMILES: O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)[C@@](O)(CO)C)C)[C@@H]4C[C@@]1(O)CO4
Compound: Alterchothecene A
SMILES: O=C1C(=C[C@H]2O[C@H]3[C@@]([C@@]([C@]2(C1)C)([C@H](OC(=O)/C=C\C)C3)C)(O)CO)C
Compound: Nocardiopsin D
SMILES: O=C1N2[C@H](C(=O)OC(C(O)CC(O)CC)(CC(C3OC(CC3)CCC=C(C(C(CCC=C1)C)=O)C)C)C)CCC2
Compound: Nostophycin C
SMILES: O=C1N2[C@@H](C(=O)NC(C(O)C(=O)N[C@H](C(=O)NCC(N3[C@@H](C(N[C@@H](C(N[C@@H]1[C@H](CC)C)=O)CC4=CC=CC=C4)=O)CCC3)=O)CCC(=O)N)CCCCCC5=CC=CC=C5)CCC2
Compound: (+)-(1R,3R,6S,7S,8R,11S)-3,8,12-trihydroxy-alpha-muurolene
SMILES: O[C@H]1C=C([C@@H]2C[C@@H](O)C(=C[C@@H]2[C@H]1[C@@H](CO)C)C)C
Compound: 6-hydroxy-5,8-dimethoxy-3-methyl-1H-isochromen-1-one
SMILES: O=C1OC(=CC=2C1=C(OC)C=C(O)C2OC)C
Compound: Dothideomynone B
SMILES: O=C1OC(=CC(=C1CC2=C3C(=COC(=C3)C)[C@H](O)[C@](C2=O)(O)C)O)C
Compound: Alterchothecene B
SMILES: O=C(O[C@H]1[C@@]2([C@@]3([C@@H](C=C(C)CC3)O[C@H](C1)[C@@]2(O)CO)C)C)/C=C\C
Compound: 4,6,11-trihydroxy-9-propyltetracene-5,12-dione
SMILES: O=C1C2=C(O)C=3C(=CC(CCC)=CC3)C(=C2C(=O)C=4C1=C(O)C=CC4)O
Compound: Chloropestolide E
SMILES: ClC=1C(=O)[C@]2(OC(=O)C=3C(O)=CC(=CC3O2)C)[C@]4(C(=O)CO)CC(C)=C\C(\[C@@H]4C1OC)=C/5\[C@@H](O)[C@]6(O[C@H]6[C@H](C5)O)CC=C(C)C
Compound: L-isoleucinamide
SMILES: CC[C@H](C)[C@H](N)C(N)=O
Compound: (-)-leptothalenone A
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@H](O)CC1)[C@H](O)C
Compound: Anabaenolysin A
SMILES: O=C1NC2C(OC(C2)=O)C(O)C(=O)NCC(NCC(NC(C1O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)=O)=O
Compound: Alterchothecene C
SMILES: O=C1C(=C[C@H]2O[C@H]3[C@@]([C@@]([C@]2(C1)C)([C@H](OC(=O)/C=C\C)C3)C)(O)COC(=O)C)C
Compound: Epoxyquinomicin D
SMILES: ClC1=C(O)C(C(=O)NC2=CC(=O)[C@@]3(CO)[C@@H]([C@H]2O)O3)=CC=C1
Compound: Marinomycin B
SMILES: O=C1O[C@H](C[C@@H](O)CC=C[C@@H](O)C[C@@H](O)CC(=CC=CC=CC=CC2=C(C(=O)O[C@H](C[C@H](CC=C[C@H](C[C@H](CC(=CC=CC=CC=CC=3C1=C(O)C=CC3)C)O)O)O)C[C@H](O)C)C(O)=CC=C2)C)C[C@H](O)C
Compound: (+)-leptothalenone A
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@@H](O)CC1)[C@@H](O)C
Compound: Nocardiopsin A
SMILES: O=C1N2[C@H](C(=O)OC(C(O)CC(=O)CC)(CC(C3OC(CC3)CCC=C(C(C(CCC=C1)C)=O)C)C)C)CCCC2
Compound: Anabaenolysin B
SMILES: O=C1NC2C(OC(C2)=O)C(O)C(=O)NCC(NCC(NC(C1O)C/C=C/C=C/C=C/CC/C=C/CCCC)=O)=O
Compound: Paeciloxocin B
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC3=C1C=CC(=C3OC)[C@@H](OC(=O)C)CC(C)C
Compound: Phomopsinin A
SMILES: O=C1OC[C@H]([C@H](O)CC(=O)C)C(C2=C1C=C(OC)C=C2OC)=O
Compound: Nocardimicin H
SMILES: O=C1N(O)CCCCC1NC(=O)C(C(OC(=O)C(NC(=O)C2N=C(C3=C(O)C=CC=C3)OC2)CCCCN(O)C=O)CCCCCCCCCCCCCCC)C
Compound: (4S, 10R, 4'S)-leptothalenone B
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@@H](O)CC1)[C@H](OCC3=C(O)C4=C([C@@H](O)CCC4=O)C=C3OC)C
Compound: N-(2-aminoethyl)-glycine
SMILES: O=C(O)CNCCN
Compound: Dihydro-O-Methylsterigmatocystin
SMILES: O=C1C2=C(OC3=C1C(OC)=CC=C3)C4=C(OC5C4CCO5)C=C2OC
Compound: Yanuthone A
SMILES: O=C1C=C([C@@H](O)[C@@H]2C1(O2)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)COC(=O)C
Compound: Salfredin B aldehyde
SMILES: O=C(O)C1=C(O)C2=C(OC(C)(C)C=C2)C=C1C=O
Compound: Phomopsinin A acetate
SMILES: O=C1OC[C@H]([C@H](OC(=O)C)CC(=O)C)C(C2=C1C=C(OC)C=C2OC)=O
Compound: (4R, 10S, 4'S)-leptothalenone B
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@H](O)CC1)[C@@H](OCC3=C(O)C4=C([C@@H](O)CCC4=O)C=C3OC)C
Compound: Banyascyclamide C
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C3=NC(C(NC2C)=O)=CS3)C)[C@H](O)C)CC4=CC=CC=C4
Compound: Aeruginosin NOL1
SMILES: O=C(NC(CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)C)CC2=CC=C(O)C=C2)[C@H]3CC(O)CC[C@H]3C1
Compound: L-lanthionine
SMILES: N[C@@H](CSC[C@H](N)C(O)=O)C(O)=O
Compound: Totopotensamide A
SMILES: ClC1=C(O)C(=C(O)C=C1[C@H]2NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC(=O)C(CC(C[C@@H]([C@@H](O)[C@@H]([C@H](O[C@@H]3O[C@@H]([C@@H](OC)[C@@H]([C@H]3O)O)CO)[C@H](O)C)C)C)C)C)[C@H](O)C)C)[C@H](NC(=O)CNC([C@@H](NC2=O)[C@H](CC)C)=O)C)C
Compound: Phomopsinin B
SMILES: O=C1C2=C(OC[C@@H]1[C@H](O)CC(=O)C)C(O)=C(C(=O)OC)C=C2OC
Compound: Thielavialide E
SMILES: O=C1/C(=C\2/C(=O)[C@@](OC(=O)C)(C(=O)C3=C2C[C@]4(O[C@H](CCC4)C)OC3)C)/C5=C(CO[C@]6(C5)O[C@H](CCC6)C)C([C@@]1(OC(=O)C)C)=O
Compound: Arthpyrone D
SMILES: O=C1NC=C2[C@@]3(O)[C@@H](O)[C@@H](OC2=C1OC(=O)[C@H]4[C@H]5[C@H](C=C[C@H]4C)C[C@H](C)CC5)[C@@H](O)CC3
Compound: Aeruginosin NOL2
SMILES: O=C(NC(CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCC)CC2=CC=C(O)C=C2)[C@H]3CC(O)CC[C@H]3C1
Compound: Noduliprevenone
SMILES: O=C1C2=C(O[C@@](C1)(C(=O)OC)[C@H]3OC(=O)CC3)C(C4=C(O)C5=C(O[C@](C(=O)OC)([C@H](O)CCC(=O)OC)CC5=O)C=C4C)=C(C)C=C2O
Compound: methyl acetyl botryenaloate
SMILES: O=C(OC)[C@@]1(C2=C(C=O)[C@@H](C[C@@H]([C@H]2C(C1)(C)C)OC(=O)C)C)C
Compound: Phomopsinin C
SMILES: O=C1C2=C(OC3=C1CO[C@@](C3)(O)C)C=C(C(=O)OC)C=C2OC
Compound: Arthpyrone E
SMILES: O=C1NC=C([C@]2(O)[C@H](O)[C@@H](O)[C@H](O)CC2)C(=C1OC(=O)[C@H]3[C@H]4[C@H](C=C[C@H]3C)C[C@H](C)CC4)O
Compound: Stachybocin B
SMILES: O=C1N([C@H](C(=O)O)CCCCN2C(=O)C=3C=C(O)C4=C(C3C2)O[C@]5([C@@]6(C(C([C@H](O)CC6)(C)C)CC[C@H]5C)C)C4)CC7=C1C=C(O)C8=C7O[C@]9([C@@]%10(C(C([C@H](O)[C@@H](C%10)O)(C)C)CC[C@H]9C)C)C8
Compound: Aeruginosin NOL7
SMILES: O=C(NC(CO)CCCN=C(N)N)C1N(C(=O)[C@@H](NC(=O)CCCCCCCCC)CC2=CC=C(O)C=C2)[C@H]3CC(OC4OC(CO)C(C4O)O)CC[C@H]3C1
Compound: Mycinolide IV
SMILES: O=C1O[C@@H]([C@H](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=C1)C)O)C)C)CO)CC
Compound: Monacyclinone C
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C(=CC3)[C@@H]4O[C@H]([C@@H](N(C)C)CC4)C)C=5C(=O)C[C@@](O)(C)CC5C=C2O
Compound: Arthpyrone F
SMILES: O=C1NC=C2[C@@]3(O)CC[C@H]([C@H]([C@@H]3OC2=C1C(=O)[C@H]4[C@H]5[C@H](C=C[C@H]4C)C[C@H](C)CC5)O)O
Compound: 8′-O-Methylsalazinic acid
SMILES: O=C1OC2=C(C3=C(C(=O)O[C@@H]3O)C(=C2COC)O)OC4=C1C(=CC(=C4C=O)O)C
Compound: Curtisian F
SMILES: O=C(OC1=C(OC(=O)C[C@@H](O)C)C(=C(OC(=O)C[C@@H](OC(=O)C)C)C(=C1C2=CC=C(O)C=C2)OC(=O)C[C@@H](O)C)C3=CC=C(O)C=C3)C[C@@H](OC(=O)C)C
Compound: Decarestrictine G
SMILES: O=C1O[C@@H](CC[C@H](O)[C@H](CC(C1)=O)O)C
Compound: Aeruginosin NOL6
SMILES: O=C(NC(CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCCCC)CC2=CC=C(O)C=C2)[C@H]3CC(OC4OC(CO)C(C4O)O)CC[C@H]3C1
Compound: Alternethanoxin C
SMILES: O=C(C1=C(O)C(=C(O)C(=C1)O)C2=C(O)C=CC(=C2C(O)O)OC)C
Compound: Arthpyrone G
SMILES: O=C1NC=C2C=3CC[C@H]([C@H](C3OC2=C1C(=O)[C@H]4[C@H]5[C@H](C=C[C@H]4C)C[C@H](C)CC5)O)O
Compound: L-leucinamide
SMILES: CC(C)C[C@H](N)C(N)=O
Compound: Preubetaochromone C
SMILES: O=C1OC[C@]2(O)C(OC)=CC(C3=C2C1=C(OC)C=C3O)=O
Compound: Pleurospiroketal B
SMILES: O=C1[C@]2(OC(C1)(C)C)O[C@@H]3[C@@H](O)[C@](O)(C)CC[C@@H]3C2=C
Compound: Aeruginosin NAL4
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCCCC)CC2=CC=C(O)C=C2)[C@H]3CC(OC4OC(CO)C(C4O)O)CC[C@H]3C1
Compound: (7E)-7-ethyl-4-hydroxy-(+)-7-undecene-3,6-dione
SMILES: O=C(/C(=C/CCC)/CC)C[C@H](O)C(=O)CC
Compound: Parmetherine A
SMILES: O=C1O[C@H](O)C=2C1=C(O)C(=C(O)C2OC3=C(C(=CC(=C3C=O)O)C)C(=O)OC)CC4=C(O)C(=C(O)C(=C4C)C(=O)OC)C=O
Compound: Arthpyrone H
SMILES: O=C1NC=C([C@@]2(O)[C@@H](O)[C@H](OC)[C@@H](O)CC2)C(=C1C(=O)[C@@H]3[C@@H]4[C@@H](C=C[C@@H]3C)C[C@@H](C)CC4)O
Compound: Penipacid D
SMILES: O=C(OC)NC(=NC1=C(C(=O)O)C=CC=C1)C
Compound: W1278-C
SMILES: O=C(O[C@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@H](CC2=C(C(O)=CC(=C2)O)C(=O)O[C@H](CC3=C(C(O)=CC(=C3)O)C(=O)O)C)C)C)C4=C(O)C=C(O)C=C4C[C@@H](OC(=O)C5=C(O)C=C(O)C=C5C[C@@H](OC(=O)C6=C(O)C=C(O)C=C6C)C)C
Compound: 2-(Heptadec-8-enyl)-3,6-dihydroxy-1,4-benzoquinone
SMILES: O=C1C(O)=CC(=O)C(=C1CCCCCCC/C=C\CCCCCCCC)O
Compound: Aeruginosin NOL5
SMILES: O=C(NC(CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCC)CC2=CC=C(O)C=C2)[C@H]3CC(OC4OC(CO)C(C4O)O)CC[C@H]3C1
Compound: Parmetherine B
SMILES: O=C1O[C@H](OC)C=2C1=C(O)C(=C(O)C2OC3=C(C(=CC(=C3C=O)O)C)C(=O)OC)CC4=C(O)C(=C(O)C(=C4C)C(=O)OC)C=O
Compound: Arthpyrone I
SMILES: O=C1NC=C([C@]2(OC)[C@H](O)[C@@H](O)[C@H](O)CC2)C(=C1C(=O)[C@H]3[C@H]4[C@H](C=C[C@H]3C)C[C@H](C)CC4)C
Compound: Proserin B
SMILES: O=C1O[C@H](O)C2=C(O)C=C(OC=3C2=C1C(OC)=CC3C(=O)OC)C
Compound: Penicolinate D
SMILES: O=C(OC)C1=NC=C(CCCCCCCCCC[C@H](O)C)C=C1
Compound: (-)-cochlearol B
SMILES: O=CC1=C[C@@]23C4=C(O[C@]5([C@@]2([C@H](CC5)C3(C)C)CC1)C)C=CC(=C4)O
Compound: Aeruginosin NOL4
SMILES: O=C(NC(CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCCCC)CC2=CC=C(O)C=C2)[C@H]3CC(O)CC[C@H]3C1
Compound: Parmetherine C
SMILES: O=C1O[C@H](OC)C=2C1=C(O)C(=C(O)C2OC3=C(C(=CC(=C3C=O)O)C)C(=O)OC)CC4=C(O)C(=C(O)C(=C4C)C(=O)OC)C
Compound: Arthpyrone J
SMILES: O=C1NC=C([C@]2(O)[C@@H]3O[C@@H]3[C@H](O)CC2)C(=C1C(=O)[C@H]4[C@H]5[C@H](C=C[C@H]4C)C[C@H](CO)CC5)O
Compound: (11)-cytochalasa-13-ene-1,21-dione-6,7-epoxy-18,19-dihydroxy-16,18-dimethyl-10-phenyl-(7S*,13E,16S*,18S*,19R*)
SMILES: O=C1[C@]23C(=O)N[C@@H]([C@H]2[C@@H](C)[C@]4([C@@H]([C@H]3C=CC[C@H](C[C@]([C@H](C1)O)(O)C)C)O4)C)CC5=CC=CC=C5
Compound: (3S,3'R)-3-(3'-hydroxybutyl)-7-methoxyphthalide
SMILES: O=C1O[C@@H](CC[C@H](O)C)C=2C1=C(OC)C=CC2
Compound: Salimyxin A
SMILES: O=C1OC2=CC[C@]3([C@H](C2=C1)CC[C@@H]3[C@@H](/C=C/[C@@H](C(O)(C)C)CO)C)C
Compound: Aeruginosin NAL3
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCCCC)CC2=CC=C(O)C=C2)[C@H]3CC(O)CC[C@H]3C1
Compound: Hericene E
SMILES: O=C(O[C@H](C=C(C)C)C/C(=C/CC1=C(O)C(=C(COC(=O)CCCCCCCCCCCCCCC)C=C1OC)C=O)/C)CCCCCCCCCCCCCCC
Compound: Arthpyrone K
SMILES: O=C1NC=C([C@]2(O)[C@@H]3O[C@@H]3[C@H](O)CC2)C(=C1C(=O)[C@H]4[C@H]5[C@H](C=C[C@H]4C)[C@@H](O)[C@H](C)CC5)O
Compound: FL-120-D'
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=[N+]=[N-])C=4[C@@H](OC(=O)C(C)C)[C@](O)(C)[C@@H]([C@H](C34)O)O
Compound: Pogostol
SMILES: O[C@]1([C@@H]2[C@H]([C@@H](C)CC2)C[C@@H](CC1)C(=C)C)C
Compound: Hericene F
SMILES: O=C(O[C@H](C=C(C)C)CC(=CCC1=C(O)C(=C(COC(=O)CCCCCCCCCCCCCCC)C=C1OC)C=O)C)CCCCCCC/C=C\C/C=C\CCCCC
Compound: Aeruginosin NOL3
SMILES: O=C(NC(CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCC)CC2=CC=C(O)C=C2)[C@H]3CC(O)CC[C@H]3C1
Compound: Lanosta-7:9(11),23E-triene-3beta,22R,25-triol
SMILES: OC(/C=C/[C@@H](O)[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)=CC2)(C)CC1)C)C)(C)C
Compound: Brasilamide G
SMILES: O=C1O/C(=C\[C@@H](C(=O)N)C)/C=C1C2CCC(=C)CC2
Compound: Coniosclerodin
SMILES: O=C1C2=C(OC(O)=C3C2=C(C(C)=CC3=O)C(=C1)OCC=C(C)C)O
Compound: R-(+)-N-[15-methyl-3-(12-methyltridecanoyloxy)-hexadecanoyl]glycine
SMILES: O=C(O[C@@H](CC(=O)NCC(=O)O)CCCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C
Compound: Aeruginosin NAL2
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCC)CC2=CC=C(O)C=C2)[C@H]3CC(O)CC[C@H]3C1
Compound: Hericene G
SMILES: O=C(O[C@H](C=C(C)C)C/C(=C/CC1=C(O)C(=C(COC(=O)CCCCCCCCCCCCCCC)C=C1OC)C=O)/C)CCCCCCC/C=C\CCCCCCCC
Compound: Lobophorin H
SMILES: O=[N+]([O-])[C@@]1([C@@H](NOC(=O)C)[C@H](O[C@H](C1)O[C@@H]2C(=C[C@@H]3C=C(C=O)[C@H](C)C[C@]34OC(=O)C(C4=O)=C([C@@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](OC)[C@@H](C9)O)C)[C@@H](C8)O)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)C)C)C
Compound: Citreamicin alpha
SMILES: O=C1N2C(OC(C2(COC(=O)CC(C)C)C)=O)(CC=3C1=C(O)C4=C5C(=O)C6=C(OC=7C=C(OC)C(=CC7C6=O)OC)C(C5=CC=C4C3)=O)C
Compound: R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine methyl ester
SMILES: O=C(OC)CNC(=O)C[C@H](OC(=O)CC/C=C\CCCCCCCC(C)C)CCCCCCCCCCCC(C)C
Compound: Nodulisporin A
SMILES: O(C=1C2=C(O)C=CC(=C2C=CC1)C3=C(O)C4=C(OC)C=CC=C4C=C3)C
Compound: Aeruginosin NAL1
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCC)CC2=CC=C(O)C=C2)[C@H]3CC(O)CC[C@H]3C1
Compound: Hericene H
SMILES: O=C(O[C@H](C=C(C)C)CC(=CCC1=C(O)C(=C(COC(=O)CCCCCCCCCCCCCCCCC)C=C1OC)C=O)C)CCCCCCC/C=C\C/C=C\CCCCC
Compound: Muroxanthenone A
SMILES: O=C1C2=C(C(O)=CC=C2OC3=C1C(OC)=CC(=C3)CO)C(=O)OC
Compound: Geumsanol B
SMILES: O=C1C=C2C(=COC(=C2)/C=C/[C@@](O)([C@H](O)[C@H](CC)C)C)[C@@H]3[C@]1(OC(=O)[C@H]3C(=O)C)C
Compound: 4'-deoxy-7',8'-dihydroaigialospirol
SMILES: O=C1O[C@H]([C@@H]2O[C@@]3(O[C@H](CCC3)C)[C@@H](O)CC2)C=4C1=C(O)C=C(OC)C4
Compound: Phellinignin A
SMILES: O=C1OCC2=C1CC[C@@H](C)[C@@H]3[C@H]2[C@H](O)C(C)(C)C3
Compound: Nocuolin A
SMILES: O=C(N1O[C@H](CC(=N1)CCCCC)CCCCC)CCO
Compound: N-[N-[3R-15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycyl]-L-serine methyl ester
SMILES: O=C(OC)[C@@H](NC(=O)CNC(=O)C[C@H](OC(=O)CC/C=C\CCCCCCCC(C)C)CCCCCCCCCCCC(C)C)CO
Compound: Chartarlactam C
SMILES: O=C1NCC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H]([C@@]([C@H](O)CC5)(CO)C)CC[C@H]4C)C)C3
Compound: 2'-O-Acetylsordarin
SMILES: O=C(O)C12C(=CC3C1(C[C@H]4[C@H](C2(C=O)C3)CC[C@H]4C)COC5OC(C(OC)C(C5OC(=O)C)O)C)C(C)C
Compound: Chrysodine
SMILES: O=C1C=2C(C=C(/C=C/C=C/C=C/C)OC2)=CC([C@@]1(OC(=O)C)C)=O
Compound: Phellinignin B
SMILES: O=C1OCCNC(C2=C1CC[C@@H](C)[C@@H]3[C@H]2CC(C)(C)C3)=O
Compound: methyl L-lysinate
SMILES: COC(=O)[C@@H](N)CCCCN
Compound: Brevidiolide
SMILES: O=C1OC=CC=CCC(=O)OC=CC=CC1
Compound: Aeruginosin K139
SMILES: O=C(NC1C(O)N(C(=N)N)CCC1)C2N(C(=O)C(NC(=O)C(O)CC3=CC=C(O)C=C3)CC(C)C)[C@H]4CC(O)CC[C@H]4C2
Compound: 7-O-succinyl macrolactin A
SMILES: O=C1O[C@@H](CCCC=CC=C[C@H](O)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)OC(=O)CCC(=O)O)C
Compound: Asperochrin A
SMILES: O=C1O[C@H]([C@H](O)C)[C@@H](C1=C[C@@H](O)C)O
Compound: Harzianumol H
SMILES: O[C@H]([C@@H](O)CC/C=C/CO)CC/C=C/C=C
Compound: Asperversin A
SMILES: O=C1OC(=CC2=C1C[C@@H]3[C@@]4([C@H](C(C)(C)O[C@H]4CC(=O)OC)[C@@H](C[C@]3(O2)C)OC(=O)C)C)C
Compound: Phellinignin C
SMILES: O=C(OC[C@H]1C(=C2[C@H](CC(C2)(C)C)[C@@H](CC1)C)CO)C
Compound: Neosartin B
SMILES: O=C1N([C@@](OC)(C(=O)N2C1=CC=3C=CC=CC23)CO)C
Compound: Pseudospumigin A
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@H](NC(=O)[C@H](NC(=O)C(O)CC1=CC=C(O)C=C1)CCC2=CC=C(O)C=C2)[C@@H](CC)C
Compound: Cercophorin C
SMILES: O=C1OC(=CC=2C1=C(O)C(=C(O)C2)C(=O)OC3=C(O)C=C(OC)C=C3C(=O)OC)C
Compound: Cryptostictic acid
SMILES: O=C1OC2=C(C3=C(C(=O)O[C@@H]3O)C(=C2C)O)OC4=C1C(=CC(=C4CO)OC)C
Compound: Asperversin B
SMILES: O=C1OC(=CC2=C1C[C@@H]3[C@@]4([C@H](C(C)(C)O[C@H]4CC(=O)O)[C@@H](C[C@]3(O2)C)OC(=O)C)C)C
Compound: Phellinignin D
SMILES: O=C(OC)C1=C2C(=C(C)C(=C1)CCO)CC(C2)(C)C
Compound: Babetaianolone
SMILES: O=C1O[C@@H](CC(=O)CC[C@H](O)C)[C@H](C1)O
Compound: Pseudospumigin B
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)NC(C=O)CCCN=C(N)N)CC(C)C)CCC1=CC=C(O)C=C1)C(O)CC2=CC=C(O)C=C2
Compound: AI-77-F
SMILES: O=C1O[C@H]([C@@H](NC(=O)C(O)C2OC(=O)C=C2)CC(C)C)CC=3C1=C(O)C=CC3
Compound: Xylactam
SMILES: O=C1NCC=2C1=C(C(O)=C(CCC(=O)/C=C/CCCCCCCCC)C2O)C(=O)O
Compound: 3-hydroxy-4-(5-hydroxy-5-methyl-1-methylenehexyl)benzoic acid
SMILES: O=C(O)C1=CC(O)=C(C(=C)CCCC(O)(C)C)C=C1
Compound: 2,6-Dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid
SMILES: O=C(O)C1=C(O)C(=C(C)C(=C1O)C)/C=C/C(=O)C
Compound: Asperversin D
SMILES: O=C1OC([C@@H]2CC[C@@]3([C@@H]([C@]2([C@H](C1)O)C)CC=4C(=O)OC(=CC4O3)C)C)(C)C
Compound: Pseudospumigin C
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@@H](NC(=O)[C@H](NC(=O)C(O)CC1=CC=C(O)C=C1)CCC2=CC=C(O)C=C2)C(C)C
Compound: 2-(quinoline-8-carboxamido)benzoic acid
SMILES: O=C(O)C1=C(NC(=O)C=2C3=NC=CC=C3C=CC2)C=CC=C1
Compound: Emeriphenolicin G
SMILES: O=C1N([C@H](C(=O)OC)CCC(=O)OC)CC=2C1=C(C(O)=C(OCC=C(CCC=C(CCC=C(C)C)C)C)C2O)CC=C(CCC=C(CCC=C(C)C)C)C
Compound: Alterporriol M
SMILES: O=C1C2=C(OC)C(C3=C(OC)C=4C(=O)C5=C(C[C@@H](O)[C@]([C@H]5O)(O)C)C(C4C(=C3)O)=O)=CC(=C2C(=O)C6=C1C=C(O)C(=C6)C)O
Compound: Crinipellin A
SMILES: O=C1[C@]2([C@@]3(C[C@H]4[C@@]25O[C@@H]5C(=O)C4=C)CC[C@@H]([C@]3([C@H]1O)C)C(C)C)C
Compound: Pseudospumigin D
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@H](NC(=O)C(NC(=O)C(O)CC1=CC=C(O)C=C1)CCC2=CC=CC=C2)[C@@H](CC)C
Compound: Asperversin E
SMILES: O=C1OC([C@@H]2[C@H](OC(=O)C)C[C@@]3([C@@H]([C@]2([C@H](C1)O)C)CC=4C(=O)OC(=CC4O3)C)C)(C)C
Compound: Hydroxypenicillide
SMILES: O=C1OCC2=C(C(O)=CC(=C2)CO)OC=3C1=C(OC)C(=CC3)[C@@H](O)CC(C)C
Compound: Ulupyrinone
SMILES: O=C1C2=C(C=NC=C2CC1)[C@@H](O)CC
Compound: Pseudospumigin E
SMILES: O=C(NC(C(=O)N[C@H](C(=O)NC(C=O)CCCN=C(N)N)CC(C)C)CCC1=CC=CC=C1)C(O)CC2=CC=C(O)C=C2
Compound: 3-hydroxy-4-((2R,6R)-6-(hydroxymethyl)-2,6-dimethyltetrahydro-2H-pyran-2-yl)benzoic acid
SMILES: O=C(O)C1=CC(O)=C([C@@]2(O[C@](CCC2)(CO)C)C)C=C1
Compound: (15alpha)-15-hydroxysoyasapogenol
SMILES: O[C@@H]1[C@@]2(C(=CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(CO)C)O)C)C)[C@@H]5CC(C)(C)C[C@H]([C@@]5(C1)C)O)C
Compound: Asperversin F
SMILES: O=C1OC([C@@H]2[C@H](OC(=O)C)C[C@@]3([C@@H]([C@]2([C@H](C1)OC(=O)C)C)CC=4C(=O)OC(=CC4O3)C)C)(C)C
Compound: Pseurotin A3
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@@H]([C@@]13OC([C@@H](O)[C@H](O)/C=C\CC)=C(C3=O)C)O
Compound: (-)-austrosene
SMILES: O=C(O)C1=CC=C([C@](O)(CCCC(O)(C)C)C)C=C1
Compound: 6,13-dihydroxypunctaporonin A
SMILES: O[C@]12[C@](C[C@@H]1[C@]3(C=C[C@H]([C@]3(C[C@@H]2O)C)O)CO)(CO)C
Compound: (R)-10-(3-succinimidyl)-TMC-256A1
SMILES: O=C1C=C(OC)C2=C(O)C3=C(O)C=C(OC3=C(C2=C1)[C@@H]4C(=O)NC(C4)=O)C
Compound: Pseudospumigin F
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@@H](NC(=O)C(NC(=O)C(O)CC1=CC=C(O)C=C1)CCC2=CC=CC=C2)C(C)C
Compound: Asperversin C
SMILES: O=C1OC(=CC2=C1C[C@@H]3[C@]([C@H](C(=C)C)[C@@H](C[C@]3(O2)C)OC(=O)C)([C@@H](OC(=O)C)CC(=O)OC)C)C
Compound: Colletotryptin A
SMILES: O[C@@H]([C@@H](C=1NC=2C=CC=CC2C1CCO)C=3C4=C(C=CC=C4)NC3)CO
Compound: Mitibetaimol A oleate
SMILES: O=C1C(=CCCC(C)=C[C@H](C(C=C1)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC)C
Compound: Punctatin E
SMILES: O[C@]12C(C[C@@H]1[C@@]3([C@](C=C[C@H]3O)(C)CC2)CO)(C)C
Compound: 1-ethenoxy-2-methylbenzene
SMILES: O(C1=C(C=CC=C1)C)C=C
Compound: Chenopodolin B
SMILES: O=C1C=C2[C@@H](C[C@H](OC(=O)C)[C@@](C2)(C=C)C)[C@]3([C@H]1[C@@]4(C(=O)OC([C@H]3OC(=O)C)[C@H]4OC(=O)C)C)C
Compound: Asperversin G
SMILES: O=C1OC(=CC2=C1C[C@@H]3[C@]4(C=CC(=O)C([C@@H]4[C@@H](C[C@]3(O2)C)OC(=O)C)(C)C)C)C
Compound: Allo-murolic acid
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@H](O)C)[C@H](C1=C)C(=O)O
Compound: Chrondramide 6
SMILES: ClC1=C(OC2OC(O)C(O)C(C2C(=O)O)O)C=CC(=C1)C3NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](C)CC(=C[C@@H]([C@H](OC([C@H]3OC)=O)C)C)C)C)C)CC4=C(Cl)NC5=C4C=CC=C5
Compound: Colletotryptin B
SMILES: O[C@@H]([C@H](C=1NC=2C=CC=CC2C1CCO)C=3C4=C(C=CC=C4)NC3)CO
Compound: Hypomurocin A-2
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(CO)CC(C)C)CCC2)(C)C)CC(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(CC)C)CCC(=O)N)C(C)C)C(C)C)(C)C
Compound: Microcarbonin A
SMILES: OC1=C(C(O)=CC(=C1)C#CC#CCCCCC)CCCCCCCCCC
Compound: L-mannaric acid
SMILES: O[C@H]([C@@H](O)[C@@H](O)C(O)=O)[C@@H](O)C(O)=O
Compound: Urdamycin N8
SMILES: O=C1C=2C3=C(O)C=C(C)C=C3[C@@H](OC)[C@@H](C2C(=O)C4=C1C=CC(=C4O)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O)C)CC6)C)C)OC
Compound: Cytochalasin Z10
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@@]14[C@H](O)C=C[C@](O)(C[C@H](CC=C[C@H]4[C@H](O)C(CO)=C3C)C)C
Compound: D-fucosamin
SMILES: O=C[C@H](N)[C@@H](O)[C@@H](O)[C@H](O)C
Compound: Colletotryptin C
SMILES: O=C(OCCC=1C2=C(C=CC=C2)NC1[C@H](C=3C4=C(C=CC=C4)NC3)[C@H](O)CO)C
Compound: Micropeptin KT946
SMILES: S(=O)(=O)(OC[C@H](O)C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H]([C@@H](CC)C)C(N([C@H](C(N[C@@H](C(O[C@H]1C)=O)[C@@H](CC)C)=O)CC3=CC=CC=C3)C)=O)[C@H](O)CC2)CCC4=CC=C(O)C=C4)O
Compound: Nocarasin C
SMILES: O=C(OC)C1=CC(OC)=C(C/C=C(/CCC=C(C)C)\C)C=C1
Compound: Dioctylketone
SMILES: O=C(CCCCCCCC)CCCCCCCC
Compound: Urdamycin N9
SMILES: O=C1C=2C3=C(O)C=C(C)C=C3[C@H](OC)[C@H](C2C(=O)C4=C1C=CC(=C4O)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O)C)CC6)C)C)OC
Compound: Microginin
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(O)C(N)CCCCCCC)C)C(C)C)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Colletotryptin D
SMILES: O=C(NCCC=1C2=C(C=CC=C2)NC1[C@H](C=3C4=C(C=CC=C4)NC3)[C@H](O)CO)C
Compound: Anabaenopeptin KT864
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@@H](CC)C)=O)NC(=O)NC(C(=O)O)CCCCN=C(N)N)CC3=CC=CC=C3)C)C
Compound: Decaspirone D
SMILES: O=C1C=CC2(OC=3C=4C(C=CC3)=CC=CC4O2)[C@H]5[C@H]1[C@@H](O)C=C[C@H]5OC(=O)C
Compound: Cryptoporic acid P
SMILES: O=C(OC)[C@@H]([C@@H](OC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(COC(=O)C)C)C)C(=O)O)CC(=O)O
Compound: Urdamycin N5
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC=4C3=C(O)C=C(C)C4)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O)C)CC6)C)C
Compound: Mycinamicin XIV
SMILES: O=C1O[C@@H]([C@](O)(C=CC=CC(=O)[C@@H](C[C@H]([C@@H](CC=C1)O[C@@H]2O[C@@H](CC(C2O)N(C)C)C)C)C)CO[C@@H]3OC([C@H](O)[C@@H]([C@@H]3OC)OC)C)CC
Compound: (-)-colletotryptin E
SMILES: OC[C@@H](C=1NC=2C=CC=CC2C1CCO)C=3C4=C(C=CC=C4)NC3
Compound: Micropeptin KB1046
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@H](NC(=O)C(O)CC2=CC=C(O)C=C2)CCC(=O)N)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)CC5C=CC(O)CC5)C
Compound: Coniothiepinol A
SMILES: S1C=2OC3=C(C(O)=CC(=C3)C)C(C2[C@H]4O[C@]1(C(=O)OC)[C@H](O)C4)=O
Compound: Urdamycin N1
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C(OC)C4=C3C(=O)C[C@@](O)(C)C4)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O)C)CC6)C)C
Compound: 12-demethyl-12-oxo-eurotechinulin B
SMILES: O=C1NC(O)=C(C=C2C3=C(C(=CC(=C3)CC=C(C)C)CC=C(C)C)N=C2C(C=C)(C)C)NC1=O
Compound: Pyoverdin Pf 1/1/1
SMILES: O=C1NC(C(=O)NC(C(=O)NCCCCC1NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C2[N+]3=C(NCC2)C(NC(=O)CCC(=O)C(=O)O)=CC=4C3=CC(O)=C(C4)O)CO)CCCCN)CCCN(O)C=O)CO)CCCN(O)C=O
Compound: (+)-colletotryptin E
SMILES: OC[C@H](C=1NC=2C=CC=CC2C1CCO)C=3C4=C(C=CC=C4)NC3
Compound: Micropeptin KB992
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@H](NC(=O)C(O)CC2=CC=C(O)C=C2)CC(=O)N)C(=O)N[C@H](C(=O)N[C@H]3CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC4=CC=CC=C4)C)=O)[C@H](CC)C)C3=O)OC)CC(C)C)C
Compound: 3-hydroxydehydrodaidzein
SMILES: O=C1C2=C(OC[C@@]1(O)C3=CC=C(O)C=C3)C=C(O)C=C2
Compound: Urdamycin N2
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C(OC)C=4C3=C(O)C=C(C)C4)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O)C)CC6)C)C
Compound: [Asp3, ADMAdda5, Dhb7] microcystin 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=CC)=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: Piscicocin V1b
SMILES: SCC(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)C(CC)C)CO)CC1=CC=C(O)C=C1)CC(=O)N)C(C)C)CC2=CC=C(O)C=C2)C=O
Compound: Colletotryptin F
SMILES: O=C(OCCC=1C2=C(C=CC=C2)NC1)CC=3C4=C(C=CC=C4)NC3
Compound: Paeciloxocin A
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC3=C1C=CC(=C3OC)[C@@H](O)CC(C)C