MonarchInit/C3PO huggingface dataset:
Compound: Metachelin B
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)/C=C(/CCOC(=O)[C@@H](N(C)C)CCCN(O)C(=O)/C=C(/CCO[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)\C)\C)CCCN(O)C(=O)/C=C(/CCO[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)\C
Compound: Pacidamycin 5
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)C)[C@@H](N(C(=O)[C@@H](N)CC4=CC(O)=CC=C4)C)C)/C[C@H]2O
Compound: Anabaenopeptin SA8
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@@H](C(N[C@H]1CCCCC2=CC=CC=C2)=O)[C@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CC3=CC=CC=C3)CC(=O)N)C
Compound: Longicatenamide D
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(N[C@H](C(N[C@H]1C(C)C)=O)CCCC(C)C)=O)CC=2C3=C(C=CC=C3)NC2)CCC(=O)O)CCCN
Compound: aconitic acid
SMILES: OC(=O)CC(=CC(O)=O)C(O)=O
Compound: Actinoplanone E
SMILES: ClC=1C2=C(C(=O)N(C1C)N=C(C)C)C(O)=C3C4=C(O)C=5C(=O)C6=C([C@H](OC)[C@@H](O)C[C@@H]6OC)OC5C7=C4[C@H](CC3=C2)OCO7
Compound: Botrytisic acid B
SMILES: O=C1C=C[C@@](/C=C/C(=C\C(=O)O)/C)(C)C(C1(C)C)=O
Compound: Pestalotiopyrone J
SMILES: O=C1OC(/C(=C/C(=O)OC[C@@H](O)[C@H](O)CO)/C)=CC(=C1)OC
Compound: Pacidamycin 6
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC=3C4=C(C=CC=C4)NC3)C)[C@@H](N(C(=O)[C@@H](NC(=O)CN)CC5=CC(O)=CC=C5)C)C)/C[C@H]2O
Compound: Anabaenopeptin SA9
SMILES: ClC1=C(O)C=CC(=C1)CC[C@@H]2NC(=O)C(NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)CCCCNC([C@@H](NC(CN(C2=O)C)=O)CCC4=CC=CC=C4)=O)[C@@H](CC)C
Compound: Auyuittuqamide A
SMILES: O=C1N([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(NCC(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CO)=O)C(CC)C)=O)=O)CC2=CC=CC=C2)C)C(C)C)C(O)C)C)CC(C)C)C(C)C)C
Compound: Actinoplanone D
SMILES: O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C([C@H](OC)[C@H](O)C[C@H]6OC)OC5C7=C4[C@@H](OCO7)CC3C2)C
Compound: Officimalonic acid F
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](CCC(=C)[C@@H](C(=O)O)C)C)C)C
Compound: Auyuittuqamide B
SMILES: O=C1N([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(NCC(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CO)=O)C(C)C)=O)=O)CC2=CC=CC=C2)C)C(C)C)C(O)C)C)CC(C)C)C(C)C)C
Compound: Photinide F
SMILES: O=C1C2=C(OC)C=CC=C2O[C@@]13O[C@]3([C@@H]4OC(=O)C[C@H]4C)CO
Compound: Pacidamycin 7
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)C)[C@@H](N(C(=O)[C@@H](NC(=O)CN)CC4=CC(O)=CC=C4)C)C)/C[C@H]2O
Compound: 12,12-Dideoxydecarbamoylsaxitoxin
SMILES: OC[C@@H]1N=C(N2CCC[C@@]32[C@H]1N=C(N)N3)N
Compound: Actinoplanone C
SMILES: O=C1N(N)C(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C([C@@H](OC)[C@@H](O)C[C@H]6OC)OC5C7=C4[C@@H](OCO7)CC3C2)C
Compound: Auyuittuqamide C
SMILES: O=C1N([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(NCC(N[C@H](C(N([C@H](C(N[C@H]1C(CC)C)=O)C(O)C)C)=O)CC(C)C)=O)=O)C(C)C)C)C(C)C)CO)C(CC)C)CC2=CC=CC=C2)C
Compound: Multiforisin D
SMILES: O=C1OC(=C(C=O)C(=C1COCC=2C(=O)OC(/C=C/C)=C(C2OC)C=O)OC)/C=C/C
Compound: Argyrin B
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(NC(C(N(CC(N[C@@H]2C)=O)C)=O)=C)=O)CC)CC=3C4=C(OC)C=CC=C4NC3)CC=5C6=C(C=CC=C6)NC5
Compound: 11-Hydroxydecarbamoylsaxitoxin
SMILES: OC1(O)[C@@]23N(C(=N[C@H]([C@@H]2N=C(N3)N)CO)N)CC1O
Compound: Paenilamicin A1
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H]([C@H](O)C[C@H](O)CC(=O)N[C@H](C(=O)NCC(=O)NCCCNCCCCN)CNC)CO)[C@H](N)CCCCN)CNC)C)[C@H](O)[C@@H](O)C[C@H](O)CCCCN
Compound: Auyuittuqamide D
SMILES: O=C1N([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(NCC(N[C@H](C(N[C@H](C(N[C@H]1C(CC)C)=O)CO)=O)C(CC)C)=O)=O)CC2=CC=CC=C2)C)C(CC)C)C(O)C)C)CC(C)C)C(C)C)C
Compound: Actinoplanone B
SMILES: ClC=1C2=C(C(=O)NC1C)C(O)=C3C4=C(O)C=5C(=O)C6=C([C@H](OC)[C@@H](O)C[C@H]6OC)OC5C7=C4[C@H](CC3=C2)OCO7
Compound: 3-Hydroxyalternariol 5-O-methyl ether
SMILES: O=C1OC2=C(O)C(O)=CC(=C2C=3C1=C(O)C=C(OC)C3)C
Compound: 4-O-Methylbotcinolide
SMILES: O=C1OC(C(OC(=O)/C=C/C(O)CCCC)C(C)C(C(C(C1C)O)(OC)C)O)C
Compound: Paenilamicin A2
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H]([C@H](O)C[C@H](O)CC(=O)N[C@H](C(=O)NCC(=O)NCCCNCCCCN)CNC)CO)[C@H](N)CCCCN)CNC)C)[C@H](O)[C@@H](O)C[C@H](O)CCCN
Compound: 12beta-Deoxydecarbamoyloxygonyautoxin-3
SMILES: S(=O)(=O)(O[C@@H]1[C@@H](O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)N)N=C(N3C1)N)O
Compound: Thanafactin A
SMILES: O=C(N[C@H](C(=O)O)[C@H](O)C)[C@H]1N(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[C@H](O)CCCCCCC)C(C)C)C)CCC(=O)N)C)C(C)C)C)CCC1
Compound: Actinoplanone A
SMILES: ClC=1C2=C(C(=O)N(C1C)N)C(O)=C3C4=C(O)C=5C(=O)C6=C([C@H](OC)[C@H](O)C[C@H]6OC)OC5C7=C4[C@@H](CC3=C2)OCO7
Compound: Coniochaetone F
SMILES: O=C1C2=C(OC3=C1[C@H](OCC)CC3)C=C(C)C=C2O
Compound: (+)-acetodalmanol B
SMILES: O=C1C2=C(O)C(C(O)=C3C2=C4C(=C5C(=O)C=CC=C5OC4=C1)[C@H]([C@@H](CC(=O)C6=C(O)C=CC=C6O)C)[C@H]3C)=C(O)C
Compound: Myxochelin O
SMILES: O=C1OC[C@@H](N1)CCCCNC(=O)C2=CN=CC=C2
Compound: [D-Asp3,Mdha-GSH7]MC-RR
SMILES: S(CC1N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(C[C@@H](NC([C@@H](NC([C@H](NC1=O)C)=O)CCCN=C(N)N)=O)C(=O)O)=O)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)C(=O)O)C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
Compound: Paenilamicin B1
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H]([C@H](O)C[C@H](O)CC(=O)N[C@H](C(=O)NCC(=O)NCCCNCCCCN)CNC)CO)[C@H](N)CCCN=C(N)N)CNC)C)[C@H](O)[C@@H](O)C[C@H](O)CCCCN
Compound: Shornephine A
SMILES: O=C1N2[C@]3(NC=4C(O)=CC=CC4[C@@]3(O)C[C@H]2C(=O)O[C@H]1CC5=CC=CC=C5)C(C=C)(C)C
Compound: Myxochelin N
SMILES: O=C(N[C@H](CO)CCCCNC(=O)C1=CN=CC=C1)C2=CN=CC=C2
Compound: Neihumicin
SMILES: O=C/1N/C(/C(OC)=N\C1=C/C2=CC=CC=C2)=C\C3=CC=CC=C3
Compound: Noreupenifeldin
SMILES: O=C1C(O)=CC(C)=C2C(=C1)O[C@]3([C@H](O)C[C@@H]4[C@](OC=5C=C(O)C=C(C5C4)C)(CC=CC(C[C@H]3C2)(C)C)C)C
Compound: Microginin 755B
SMILES: O=C(O)C(NC(=O)C(N(C(=O)C(N(C(=O)C(NC(=O)C(O)C(NC)CCCCCCC)C)C)CC(C)C)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Paenilamicin B2
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H]([C@H](O)C[C@H](O)CC(=O)N[C@H](C(=O)NCC(=O)NCCCNCCCCN)CNC)CO)[C@H](N)CCCN=C(N)N)CNC)C)[C@H](O)[C@@H](O)C[C@H](O)CCCN
Compound: Grincamycin P
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@@H](O)CC6)C)CC5)C)[C@@H](C4)O)C
Compound: Serratiochelin B
SMILES: O=C(N[C@H](C(=O)NCCCNC(=O)C1=C(O)C(O)=CC=C1)[C@@H](O)C)C2=C(O)C(O)=CC=C2
Compound: 20-O-methylcyclocitrinol
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CCC3[C@@](OC)(/C=C/[C@H](O)C)C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: Paxisterol
SMILES: O1[C@]([C@H]2C[C@H]3O[C@@H]1[C@@]42[C@@H]3[C@]56O[C@H]5C[C@@H]7[C@@]([C@H]6CC4)(CC[C@@H](C7)O)C)(CCC(=C)C(C)C)C
Compound: Microginin 771
SMILES: O=C(O)C(N(C(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)C(O)C)C)CC(C)C)CC1=CC=C(O)C=C1)C)CC2=CC=C(O)C=C2
Compound: Locillomycin A
SMILES: O=C1OC([C@H](NC(=O)CCCCCCCCCCCC)C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H]1C(C)C)=O)CC2=CC=C(O)C=C2)=O)=O)CC(=O)O)=O)CC(=O)N)CC(=O)O)CCC(=O)N)C
Compound: Grincamycin Q
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)C=C6N)C)CC5)C)[C@@H](C4)O)C
Compound: Diazaquinomycin E
SMILES: O=C1NC=2C(=O)C=3NC(=O)C=C(C3C(C2C(=C1C)CCCCC)=O)CCCCC
Compound: VM47704
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)C[C@H]3O)O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](O)C5OC4)COC(=O)CC(C)C)O)C)C
Compound: Barminomycin II
SMILES: O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)C)C[C@@H]3OC4OC(C5OC(OC(C(NC5C4)O)C)CC(O)C)C)C(=C2C(=O)C=6C1=C(O)C=CC6)O
Compound: Microginin 711
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(N(C(=O)C(NCC(N)CCCCCCC)C(C)C)C)CC(C)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Locillomycin B
SMILES: O=C1OC([C@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H]1C(C)C)=O)CC2=CC=C(O)C=C2)=O)=O)CC(=O)O)=O)CC(=O)N)CC(=O)O)CCC(=O)N)C
Compound: Grincamycin R
SMILES: S(C1=CC(=O)[C@H](C)O[C@H]1O[C@@H]2[C@@H](O[C@@H](O[C@H]3[C@H](O)C[C@H](C4=C(O)C=5C(=O)C6=C(C(O)=C(C[C@@](O[C@@H]7O[C@H]([C@@H](O[C@@H]8O[C@H]([C@@H](O)CC8)C)CC7)C)(CC(=O)O)C)C=C6)C(C5C=C4)=O)O[C@@H]3C)CC2)C)C
Compound: Sch 38513
SMILES: O=C1NCCCC(C(OC2OC(C(O)C(C2O)N)C)CCC(CCCC1CC)CC)C
Compound: Barminomycin I
SMILES: O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)C)C[C@@H]3OC4OC(C5OC(OC(C=NC5C4)C)CC(O)C)C)C(=C2C(=O)C=6C1=C(O)C=CC6)O
Compound: Hexatenuin B
SMILES: O=C1O[C@]2(O[C@H]3[C@@H]([C@]4(CC=C5C([C@@]4(C3)C)=CC[C@@H]6[C@@]5(CC[C@H](C6(C)C)O)C)C)[C@@H](C2)C)C(=C1C)C
Compound: Microginin 741A
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C(NC)CCCCCCC)C)C)CC(C)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Locillomycin C
SMILES: O=C1OC([C@H](NC(=O)CCCCCCCCCCCCCC)C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H]1C(C)C)=O)CC2=CC=C(O)C=C2)=O)=O)CC(=O)O)=O)CC(=O)N)CC(=O)O)CCC(=O)N)C
Compound: Grincamycin S
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C(=CC3)[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)CC6)C)CC5)C)[C@@H](C4)O)C)C(O)=C(C[C@@](O)(CC(=O)O)C)C=C2O
Compound: Lipiarmycin B4
SMILES: ClC1=C(O)C(Cl)=C(C)C(=C1O)C(=O)O[C@H]2[C@H](O)[C@H](OC)[C@H](OCC=3C(=O)OC(C(O)C)CC=C(C=C([C@@H](O[C@H]4OC([C@H](O)C([C@H]4OC(=O)C(C)C)O)(C)C)C(C=C(C(CC=CC3)O)C)CC)C)C)O[C@@H]2C
Compound: Naphthomycin B
SMILES: ClC1=C2NC(=O)C=CC=CC=C[C@@H]([C@@H](O)CC(=O)C(C)=CC[C@@H](C=C[C@@H]([C@@H]([C@H](C=C(C(C=3C(C1=O)=C(C2=O)C=C(C)C3O)=O)C)C)O)C)O)C
Compound: 3874 H1
SMILES: O=C1OC(C(C=CC=CC=CC=CC=CC=CC=CC(OC2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)N)C)CC3OC(CC(CC(CC(CCCC(CC(C1)O)O)O)O)O)(O)CC(O)C3C(=O)O)C)C(CCC(O)CC(=O)C4=CC=C(N)C=C4)C
Compound: (S)-nipecotic acid
SMILES: OC(=O)[C@H]1CCCNC1
Compound: Microginin 741C
SMILES: O=C(O)C(NC(=O)C(N(C(=O)C(N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)C)C)CC(C)C)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: A201A
SMILES: O=C(N[C@H]1[C@@H](O)[C@H](N2C3=NC=NC(=C3N=C2)N(C)C)O[C@@H]1CO)/C(=C/C4=CC=C(O[C@@H]5O/C(=C(\OC)/CO[C@H]6O[C@@H]([C@@H](OC)[C@@H]([C@@H]6O)OC)C)/[C@@H]([C@@H]5O)O)C=C4)/C
Compound: Grincamycin T
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C(=CC3)[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)CC6)C)CC5)C)[C@@H](C4)O)C)C(O)=C(C[C@@](O[C@@H]7O[C@H]([C@@H](O[C@@H]8O[C@H]([C@@H](O)CC8)C)CC7)C)(CC(=O)O)C)C=C2O
Compound: Lipiarmycin B3
SMILES: ClC1=C(O)C(Cl)=C(CC)C(=C1O)C(=O)O[C@H]2[C@H](O)[C@H](OC)[C@H](OCC=3C(=O)OC(C(O)C)CC=C(C=C([C@@H](O[C@H]4OC([C@H](O)C([C@H]4OC(=O)C(C)C)O)(C)C)C(C=C(C(CC=CC3)O)C)CC)C)C)O[C@@H]2C
Compound: Microginin 791
SMILES: ClCCCCCCCC(N)C(O)C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)CC(C)C)C)C(O)C
Compound: N-acetylaureothamine
SMILES: O=C1C(=C(OC(=C1C)[C@H]2OC\C(\C2)=C/C(=C/C3=CC=C(NC(=O)C)C=C3)/C)OC)C
Compound: Pyrenochaetic acid E
SMILES: O=C(O)C1=CC(OC)=C(C(=O)CCCO)C(=C1)C
Compound: Kanglemycin A
SMILES: O=C1NC=2C(=O)C3=C(O)C(=C4O[C@](C(C4=C3C(C2)=O)=O)(OC=C[C@H](O[C@H]5O[C@H]([C@H]6OCO[C@H]6C5)C)[C@H]([C@@H]([C@H]([C@H]([C@H]([C@H]([C@H](C=CC=C1C)[C@H](OC(=O)C(CC(=O)O)(C)C)C)O)C)O)C)OC(=O)C)C)C)C
Compound: Nocobactin NA 10152A
SMILES: O=C1N(O)CCCC[C@H]1NC(=O)[C@@H]([C@@H](OC(=O)[C@@H](NC(=O)C=2N=C(C3=C(O)C=CC=C3)OC2C)CCCCN(O)C(=O)C)CCCCCCC)C
Compound: Microginin 739B
SMILES: O=C(N(C(C(=O)O)CC1=CC=C(O)C=C1)C)C2N(C(=O)C(NC(=O)C(NC(=O)C(O)C(N)CCCCCCC)C(C)C)CC3=CC=C(O)C=C3)CCC2
Compound: Saccharochelin A
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCC)CCCN(O)C=O)CO)CCCN(O)C=O
Compound: Sakisacaulon A
SMILES: O=C1O[C@@](O)(CCCC)C=2C1=C(OC3=C(O)C=C(O)C=C3CCCCC)C=C(OC)C2
Compound: Tumonic acid A
SMILES: O=C(O)[C@H]1N(C(=O)[C@@H](C(O)/C(=C/CCCCCCC)/C)C)CCC1
Compound: Paulomycin F
SMILES: S=C=N/C(/C(=O)O[C@H]1[C@@H](O[C@@H]2O[C@@H]([C@@](O)([C@@H](O)C)[C@@H](C2)OC)C)[C@@H](O)[C@H]([C@@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@H]1COC(=O)C)=C\C
Compound: Nocobactin NA 10152B
SMILES: O=C1N(O)CCCC[C@H]1NC(=O)[C@@H]([C@@H](OC(=O)[C@@H](NC(=O)C=2N=C(C3=C(O)C=CC=C3)OC2C)CCCCN(O)C(=O)C)CCCCCCCCC)C
Compound: Saccharochelin B
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCC(C)C)CCCN(O)C=O)CO)CCCN(O)C=O
Compound: Microginin 743
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)CO)C)CC(C)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Culicinin C
SMILES: O=C(N[C@H](C(=O)NCCC(=O)NC(CNCCO)C)CC(C)C)C(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)CCC)CCC1)CC(CC(O)CC(=O)CC)C)C)(C)C)CC(CCCCCC)C)CC(C)C)(C)C
Compound: Paulomycin E
SMILES: S=C=N/C(/C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H]([C@@](O)(C(=O)C)[C@@H](C2)OC)C)[C@H](O)[C@@H]([C@@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@H]1COC(=O)C)=C\C
Compound: (R)-3-demethylpurpurester A
SMILES: O=C1O[C@](O)(CCC)C=2C1=C(C(O)=C(O)C2)C
Compound: Saccharochelin C
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCC)CCCN(O)C=O)CO)CCCN(O)C=O
Compound: Microginin 761A
SMILES: ClCCCCCCCC(N)C(O)C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)CC(C)C)C)C
Compound: Tallysomycin A
SMILES: S1C(=NC(=C1)C(=O)NCCCC(N)CC(=O)NCCCNCCCCN)C=2N=C(C(O)C(OC3OC(C(N)C(C3O)O)C)NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C4=NC(=NC(=C4C)N)C(NCC(N)C(=O)N)CC(=O)N)C(OC5OC(C(O)C(C5OC6OC(C(O)C(C6O)OC(=O)N)CO)O)CO)C=7NC=NC7)C)C(O)C)SC2
Compound: Cytochalazin Z3
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C([C@H]([C@@H]3C=CC[C@H](C)CCC(CC=C1)O)O)=C)CC4=CC=CC=C4
Compound: Phomopsichalasin D
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@@]14[C@H](OC(=O)C)C=C[C@](O)(C[C@H](CC=C[C@H]4C=C(C(=O)O)[C@H]3C)C)C
Compound: Paulomycin D
SMILES: S=C=N/C(/C(=O)O[C@H]1[C@@H](O[C@@H]2O[C@H]([C@](O)([C@@H](OC(=O)C)C)[C@H](C2)OC)C)[C@@H](O)[C@H]([C@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@@H]1COC(=O)C)=C/C
Compound: Saccharochelin D
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCC(C)C)CCCN(O)C=O)CO)CCCN(O)C=O
Compound: Microginin 741B
SMILES: O=C(NC(C(=O)N(C(C(=O)O)CC1=CC=C(O)C=C1)C)CC2=CC=C(O)C=C2)C3N(C(=O)C(NC(=O)C(O)C(NC)CCCCCCC)CO)CCC3
Compound: UCF-116-C
SMILES: O=C1NC2=C(O)C(=CC(=C2)O)CCC=C([C@H](O)[C@@H](C)[C@H](CC=CC=CC=C[C@@H](C1)OC)OC(=O)[C@H](NC(=O)/C(=C/C)/C)C)C
Compound: Chaetopenoid B
SMILES: O=C1C=C2C=C[C@H](OC(=O)/C=C/C(=C/[C@H](CC)C)/C)[C@@H]([C@@]2(C)C[C@@]1(O)C(C(=O)O)=C)C
Compound: 6-O-Methyleuparin
SMILES: COc1cc2oc(cc2cc1C(C)=O)C(C)=C
Compound: Paulomycin C
SMILES: S=C=N/C(/C(=O)O[C@@H]1[C@@H](O[C@H]2O[C@@H]([C@](O)([C@@H](OC(=O)CC)C)[C@H](C2)OC)C)[C@@H](O)[C@H]([C@@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@@H]1COC(=O)C)=C/C
Compound: Saccharochelin E
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCC)CCCN(O)C=O)CO)CCCN(O)C=O
Compound: Pheganomycin
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N=C(N)N)C1=CC(O)=C(CO)C(=C1)O)CC(=O)N)C(C)(C)C)CCCCN
Compound: Microginin 729
SMILES: O=C(O)C(NC(=O)C(N(C(=O)C(NC(=O)C(NC(=O)C(O)C(N)CCCCCCC)CO)C(C)C)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Saccharochelin F
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCC(C)C)CCCN(O)C=O)CO)CCCN(O)C=O
Compound: Paulomycin A2
SMILES: S=C=N/C(/C(=O)O[C@@H]1[C@@H](O[C@H]2O[C@@H]([C@@](O)([C@@H](OC(=O)CC(C)C)C)[C@@H](C2)OC)C)[C@@H](O)[C@@H]([C@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@H]1COC(=O)C)=C\C
Compound: Aranciamycin K
SMILES: O=C1C2=C(O)C3=C(C[C@@](O)(CC(=O)C)C[C@@H]3O)C=C2C(=O)C=4C1=C(O)C=CC4
Compound: Dendrodolide M
SMILES: O=C1O[C@@H](CC=CC(=O)C[C@H](C[C@H](C1)O)OC)C
Compound: Microginin 747B
SMILES: ClCCCCCCCC(N)C(O)C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)C)C(C)C)C
Compound: Cytospolide G
SMILES: O=C1O[C@@H]([C@@H](O)CCC=C[C@H]([C@H]1C)OC(=O)C)CCC[C@@H](O)C
Compound: Isotirandamycin B
SMILES: O=C1[C@H]2O[C@@](O[C@@H]([C@H]2C)[C@@H](C=C(C=CC(O)=C3C(=O)NCC3=O)C)C)(C)[C@@]4([C@H]1O4)CO
Compound: Saccharochelin G
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCC(C)C)CCCN(O)C=O)CO)CCCN(O)C=O
Compound: Crisamicin C
SMILES: O=C1C2=C(C(=O)C3=C1[C@@H](O[C@@H]4[C@H]3OC(=O)C4)C)C(O)=CC(=C2)C5=CC(O)=C6C(=O)[C@@]78[C@@H]9OC(=O)C[C@H]9O[C@@H]([C@@]8(C(C6=C5)=O)O7)C
Compound: Thielavin T
SMILES: O=C(OC1=C(C(O)=CC(=C1)C)C)C2=C(O)C(=C(OC(=O)C3=C(O)C=C(O)C=C3C)C(=C2C)C)C
Compound: Microginin 715
SMILES: ClCCCCCCCC(N)CNC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)O)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)CCC1)C(C)C
Compound: 8-O-methylepiaustdiol
SMILES: O=C1C(=C2C(=COC(=C2)C)[C@@H]([C@@]1(O)C)OC)C=O
Compound: Saccharochelin H
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCC(CC)C)CCCN(O)C=O)CO)CCCN(O)C=O
Compound: Helvamide
SMILES: O=C(N1/C(=C\C2=CC(OC)=C3OCOC3=C2)/CN(C(=O)C)[C@H](C1)CC4=CC=CC=C4)C5=CC=CC=C5
Compound: Vinigrol
SMILES: O[C@@]12[C@H]3C=C(CO)[C@H]([C@@H]1[C@@H]([C@H](C(C)C)CC[C@@H]3C)CC[C@H]2C)O
Compound: Vertilecanin C
SMILES: O=C(NCC(=O)OC)C1=NC=C(C(=O)C2=CC=CC=C2)C=C1
Compound: (+)-(2S,3R,6S,7S)-tremul-1(10)-ene-2,12-diol
SMILES: O[C@@]1(C2=CC(C)(C)C[C@H]2[C@@H](C)CC[C@@H]1CO)C
Compound: Marinoterpin A
SMILES: O=C(C=1C(=[N+]([O-])C2=CC=CC=C2C1)C)CC(CC/C=C/3\CO[C@H](C3)/C=C(/CC/C=C/4\CO[C@H](C4)C=C(C)C)\C)C
Compound: Microginin 761B
SMILES: ClCCCCCCCC(N)C(O)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)O)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)CCC1)C(O)C
Compound: Neocyathin S
SMILES: O1[C@@]2(O)[C@]3([C@@](O)(C4=C([C@@H](OC)C[C@]4(C)CC3)C(C)C)C[C@@H]1[C@@H](CO)[C@H]2O)C
Compound: Marinoterpin B
SMILES: O1C(/C=C(/CC/C=C/2\COC(C2)C=C(C)C)\C)C\C(\C1)=C\CC/C(=C/CC=3C(=[N+]([O-])C4=CC=CC=C4C3)C)/C
Compound: Oblongolide W1
SMILES: O=C1OC[C@@H]2C=C[C@H]3[C@H]([C@@]2([C@@]1(O)CO)C)CC[C@H](C3)C
Compound: Fusarubinoic acid
SMILES: O=C1C2=C(O)C(=C(C(=O)O)C(=C2C(=O)C=C1OC)O)CC(=O)C
Compound: Sch 36605
SMILES: O=C1N=C(N)C(CO)=CN1[C@H]2O[C@@H](C(=O)O)[C@H](NC(=O)C[C@H](NC(=O)[C@@H](N)CC(C)C)CCN(C(=N)N)C)C=C2
Compound: Microginin 725
SMILES: ClCCCCCCCC(N)C(O)C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)CC(C)C)C)CC(C)C)C)C
Compound: Marinoterpin C
SMILES: O1C(/C=C(/CC/C=C/2\COC(C2)C=C(C)C)\C)C\C(\C1)=C\CC/C(=C/CC=3C(=NC4=CC=CC=C4C3)CO)/C
Compound: Neocyathin T
SMILES: O1[C@@]2(O)[C@]3([C@@](O)(C4=C([C@H](OC)C[C@]4(C)CC3)C(C)C)C[C@@H]1[C@@H](CO)[C@H]2O)C
Compound: Bonnevillamide D
SMILES: ClC1=C(O)C(Cl)=CC(=C1)/C=C(\OC)/C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N(O)[C@H](C(=O)N3[C@H](C(=O)O)C[C@@H]3C)C(C)C)CC(C)C)C[C@@H]([C@H]2C)OC(=O)C)CC(C)C)[C@H](O)C
Compound: Sch 37137
SMILES: O=C(NC[C@H](NC(=O)[C@@H](N)C)C(=O)O)[C@@H]1O[C@H]1C(=O)N
Compound: 3-normeridamycin
SMILES: O=C1N2C(C(=O)OC(/C(=C/C(C(O)C)C)/C)CC=C(C(O)C(CC(C=C(C(CC(CC(C(C(CC3OC(C1=O)(O)C(CC3)C)O)C)O)O)O)C)C)C)CC)CCC2
Compound: Aqabamycin A
SMILES: O=C1NC(=O)C(=C1C2=CC=C(O)C=C2)C3=CC=CC=C3
Compound: Microginin 757B
SMILES: ClC(Cl)CCCCCCC(N)C(O)C(=O)N1C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)O)CC2=CC=C(O)C=C2)CC(C)C)C)C(C)C)CCC1
Compound: Bonnevillamide E
SMILES: ClC1=C(O)C(Cl)=CC(=C1)/C=C(\OC)/C(=O)N/C(/C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N(O)[C@H](C(=O)N3[C@H](C(=O)O)C[C@@H]3C)C(C)C)CC(C)C)C[C@@H]([C@H]2C)OC(=O)C)CC(C)C)=C\C
Compound: Ala-geninthiocin
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)NC(C=3OC=C(N3)C(=O)NC(C(=O)N[C@@H](C(C)C)C(NC(C4=NC(C(NC(C(NC(C5=NC(C6=C2C=CC(=N6)C(=O)NC(C(=O)NC(C(=O)N)=C)=C)=CO5)=C)=O)=C)=O)=C(O4)C)=C)=O)=C)=CC)[C@H](O)C
Compound: Prenylagaramide B
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(N[C@H](C(N[C@H](C(N[C@H]1CC4=CC=C(O)C=C4)=O)CC(C)C)=O)CC5=CC=C(OCC=C(C)C)C=C5)=O)CC(=O)N)[C@H](CC)C)CCC2
Compound: Valilactone
SMILES: O=C1O[C@@H](C[C@@H](OC(=O)[C@@H](NC=O)C(C)C)CCCCC)[C@@H]1CCCCCC
Compound: Madindoline A
SMILES: O=C1C(=C(C)C([C@]1(CN2C3=C(C=CC=C3)[C@]4([C@@H]2OCC4)O)C)=O)CCCC
Compound: Microginin 713B
SMILES: O=C(NC(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)C3N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)CO)CCC3
Compound: Cyanochelin A
SMILES: O=C(NCC(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(O)C(=O)O)CO)C(O)C(=O)O)C1N=C(C2=C(O)C=CC=C2CCCCCCCCCCC)OC1
Compound: Curvulaide A
SMILES: O=C1[C@@H](C2=C(C(=C(C)C=C2C[C@@H]1C)CC(=O)C)/C=C(/C=C(/C=C/C(=O)O)\C)\C)C
Compound: Oligomycin E
SMILES: O=C1O[C@@H]2[C@](O)([C@@]3(O[C@@H]([C@H]2C)CC[C@H](C=CC=CC[C@@H](C)[C@@H]([C@@](C([C@H]([C@H]([C@@H](C([C@@H]([C@H]([C@@H](C=C1)C)O)C)=O)C)O)C)=O)(O)C)O)CC)O[C@H]([C@@H](C)CC3=O)C[C@H](O)C)C
Compound: Guineamide C
SMILES: O=C1OC(C(=O)N([C@H](C(=O)N[C@@H](C(C)C)C(N([C@H](C(NC(C1C)CCCC#C)=O)C)C)=O)CC2=CC=C(OC)C=C2)C)C(CC)C
Compound: Rotihibin C
SMILES: O=C(NCCCC(NC(=O)/C=C\CCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(=O)N)C(O)C(=O)N)CCNC(=O)C(N)C(O)C)C(O)C)N
Compound: Gliocladine E
SMILES: S1SS[C@@]23N([C@H]4NC=5C=CC=CC5[C@]4([C@@H]2O)C=6C7=C(C=CC=C7)NC6)C([C@](S1)(N(C)C3=O)C)=O
Compound: Microginin 747A
SMILES: ClCCCCCCCC(N)C(O)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)O)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)CCC1)CO
Compound: Coptirhoquinone A
SMILES: S(C=1C(=O)C(OC)=C(OC)C(C1CC(=O)OC)=O)C
Compound: Fumifungin
SMILES: O=C(O)[C@@H](N)[C@H](O)[C@H](OC(=O)C)[C@H](O)/C=C/CCCCCC[C@H](O)CCCCCC
Compound: Rotihibin D
SMILES: O=C(NCCCC(NC(=O)/C=C\CCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(=O)N)C(O)C(=O)N)CCNC(=O)C(N)C(O)C)C(O)C)N
Compound: Phelliribsin A
SMILES: O=C1C=C(/C=C/C2=CC(O)=C(O)C=C2)O[C@@]13C4=C(C=C(O)C(=C4)O)C=C3C(=O)C
Compound: Fluostatin I
SMILES: O=C1C2=C(C=3C(=O)C=4C=CC=C(C4C3C(=C2)O)O)[C@@H](OC(=O)C(C)C)[C@@H]([C@H]1C)O
Compound: Microginin 765
SMILES: ClC(Cl)CCCCCCC(N)C(O)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)O)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)CCC1)C
Compound: Geninthiocin C
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N/C(/C=3OC=C(N3)C(=O)NC(C(=O)N[C@@H](C(O)(C)C)C(NC(C4=NC(C(NC(C(NC(C5=NC(C6=C2C=CC(=N6)C(=O)NC(C(=O)N[C@H](C(=O)N)C)=C)=CO5)=C)=O)=C)=O)=C(O4)C)=C)=O)=C)=C\C)[C@H](O)C
Compound: Arginomycin
SMILES: O=C1N=C(N)C=CN1C2OC(C(=O)O)C(NC(=O)C(N)C(CCN(C(=N)N)C)C)C=C2
Compound: Depsibosamycin B
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)NCC(OC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)N)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)CC(C)C)[C@@H](O)C(=O)O)=O)CC(C)C)CC4=C(OC)C=C(O)C=C4
Compound: 4'-Demethylamino-4'-nitro-staurosporine
SMILES: O=[N+]([O-])[C@@H]1[C@@H](OC)[C@@]2(O[C@H](C1)N3C=4C(=C5C(=O)NCC5=C6C4N2C7=C6C=CC=C7)C8=C3C=CC=C8)C
Compound: Nigricanin
SMILES: O=C1OC2=C3C(=CC=C2O)[C@@H](OC)OC=4C3=C1C=CC4O
Compound: Microginin 620A
SMILES: O=C(O)C(N(C(=O)C(N(C(=O)C(NC(=O)C(O)C(NC)CCCCCCC)C(C)C)C)CC(C)C)C)CC1=CC=C(O)C=C1
Compound: Depsibosamycin C
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)NCC(OC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)NC(=O)O)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)CC(C)C)[C@@H](O)C(=O)O)=O)CC(C)C)CC4=C(OC)C=C(O)C=C4
Compound: CV-1
SMILES: O=C1NC(O)C(N1)C(O)C(O)C(O)CO
Compound: Geninthiocin D
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N/C(/C=3OC=C(N3)C(=O)NC(C(=O)N[C@@H](C(O)(C)C)C(NC(C4=NC(C(NC(C(NC(C5=NC(C6=C2C=CC(=N6)C(=O)N)=CO5)=C)=O)=C)=O)=C(O4)C)=C)=O)=C)=C\C)[C@H](O)C
Compound: Kutzneride 7
SMILES: ClC1=C(Cl)C=CC2=C1N[C@H]3N4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(NCCC5)C([C@@H](OC([C@H](NC([C@@H]4C[C@@]23O)=O)C6(CC6)C)=O)C(C)C)=O)COC)[C@@H](O)CC(=O)O
Compound: Depsibosamycin D
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)NCC(OC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)CC(C)C)[C@@H](O)C(=O)O)=O)CC(C)C)CC4=C(OC)C=C(O)C=C4
Compound: Microginin 620B
SMILES: O=C(O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C(NC)CCCCCCC)CC(C)C)C)CC(C)C)CC1=CC=C(O)C=C1
Compound: Spiromastol H
SMILES: O=C1O[C@@H](CC=2C1=C(OC3=C(OC)C=C(O)C=C3CCC)C=C(O)C2)C
Compound: Simpotentin
SMILES: O=C(OC(CC(O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)CO)CC(=O)O)CCCCC)CC(O)CC(O)CCC
Compound: Juglorin
SMILES: O=C1C2=C(O)C3=C(C[C@@]4(O[C@H]([C@H]([C@H]3O4)C)CC)CC(=O)O)C=C2C(=O)C=C1
Compound: ICM0301 C
SMILES: Cl[C@H]1[C@](O)(C[C@H]2[C@@H]3O[C@]3(C)[C@H]([C@H]([C@@H]2C1)/C=C/C=C(/C(=O)CC)\C)/C(=C/C)/C)C
Compound: Cyclofaulknamycin
SMILES: O=C1N[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]1[C@H]2NC(=NCC2)N)=O)C(C)C)=O)CC(C)C)[C@H](O)C3=CC=CC=C3)[C@H](O)C)[C@H](O)C
Compound: Microginin 649
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(O)C(N)CCCCCCC)C)C(C)C)CC(C)C)CC1=CC=C(O)C=C1
Compound: AT2433-A1
SMILES: ClC1=C2N(C=3C=4NC=5C=CC=CC5C4C6=C(C3C2=CC=C1)C(=O)N(C)C6=O)[C@@H]7O[C@@H]([C@@H](OC)[C@@H]([C@H]7O)O)CO[C@@H]8OC[C@H](NC)[C@H](C8)O
Compound: Virantmycin B
SMILES: O=C1C(NC(=O)C2=CC3=C(N[C@@](COC)(CCC(=C(C)C)C)[C@@H](C3)O)C=C2)=C(O)CC1
Compound: Armochaetoglobin E
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/CC(/C=C(/C=O)\C)C)[C@@H]5O[C@]5(C)[C@H]4C
Compound: Leucinostatin K
SMILES: O=C(N1[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)NCCC(=O)N[C@H](C[N+]([O-])(C)C)C)(C)C)(C)C)CC(C)C)CC(C)C)(C)C)[C@H](O)C(C)C)C[C@H](C[C@H](O)CC(=O)CC)C)C[C@@H](C1)C)/C=C/[C@@H](CC)C
Compound: Iso-faulknamycin
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](N)[C@H](O)C)[C@H](O)C1=CC=CC=C1)CC(C)C)C(C)C)[C@H]2NC(=NCC2)N)[C@H](O)C
Compound: 8-(methoxycarbonyl)-1-hydroxy-9-oxo-9H-xanthene-3-carboxylic acid
SMILES: O=C1C2=C(OC3=C1C(C(=O)OC)=CC=C3)C=C(C(=O)O)C=C2O
Compound: Microginin 683
SMILES: ClCCCCCCCC(N)C(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)CC(C)C)C(C)C)C
Compound: Bonsecamin
SMILES: O=C1N[C@@H](C(=O)O)C(NC(C(=O)N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C)=O)C)CO)C
Compound: Virantmycin C
SMILES: O=C1C(NC(=O)C2=CC3=C(N[C@H](C3)[C@](O)(COC)CCC(=C(C)C)C)C=C2)=C(O)CC1
Compound: Leucinostatin H
SMILES: O=C(N1[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)NCCC(=O)N[C@H](C[N+]([O-])(C)C)C)(C)C)(C)C)CC(C)C)CC(C)C)(C)C)[C@@H](O)C(C)C)CC(C)C)C[C@@H](C1)C)/C=C\[C@@H](CC)C
Compound: BU-4514N
SMILES: O=C1NCC(C1=C(O)C2(C3C(C=C(C2CC(O[C@@H]4OC([C@@H](N)CC4)C)C)C)CC(C)CC3)C)=O
Compound: 12-epi-hapalindole C isonitrile
SMILES: [N+](#[C-])[C@H]1[C@](C=C)(CC[C@@H]([C@H]1C=2C3=C(C=CC=C3)NC2)C(=C)C)C
Compound: Coprisamide C
SMILES: O=C1OC[C@@H](NC(=O)[C@H](NC(=O)/C=C/C2=C(C=CC=C2)/C=C\C=C\CC(C)C)C)C(=O)N[C@@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1[C@@H](C(=O)O)C)=O)CNC(=O)[C@@H](N)C(C)C)=O)C(C)C)CC(C)C
Compound: Mannonerolidol
SMILES: O1[C@H](O[C@](C=C)(CCC=C(CCC=C(C)C)C)C)[C@H](O)[C@H](O)[C@H]([C@@H]1CO)O
Compound: Microginin 717
SMILES: ClC(Cl)CCCCCCC(N)C(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)CC(C)C)C(C)C)C
Compound: Nitropeptin
SMILES: O=[N+]([O-])C([C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)O)CC(=O)O
Compound: RHM4
SMILES: O=C(O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C)CCC(=O)OC)[C@H](CC)C)C)[C@H](CC)C)[C@H](CC)C)C)C(C)C)C)[C@H](CC)C)C)[C@H](CC)C)C)CC(C)C
Compound: Ganoderic acid Σ
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)C(O)(CCC=C(C(=O)O)C)C)C)CC[C@@H]4[C@@]2(CCC(C4(CO)C)=O)C
Compound: Coprisamide D
SMILES: O=C1OC[C@@H](NC(=O)[C@H](NC(=O)/C=C/C2=C(C=CC=C2)/C=C/C=C/CC(C)C)C)C(=O)N[C@@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1[C@@H](C(=O)O)C)=O)CNC(=O)[C@@H](N)C(C)C)=O)C(C)C)CC(C)C
Compound: (3S,4S)-3,8-dihydroxy-6-methoxy-3,4,5-trimethylisochroman-1-one
SMILES: O=C1O[C@](O)([C@@H](C)C=2C1=C(O)C=C(OC)C2C)C
Compound: Asperjinone
SMILES: O=C1OC(=O)C(=C1C2=CC=C(O)C=C2)CC3=CC(=C(O)C=C3)C[C@@H]4OC4(C)C
Compound: Microginin 606A
SMILES: O=C(O)C(N(C(=O)C(NC(=O)C(NC(=O)C(O)C(NC)CCCCCCC)C(C)C)CC(C)C)C)CC1=CC=C(O)C=C1
Compound: NK13650A
SMILES: O=C1N[C@H](C(=O)NC1=CC2=CC(OCC[C@H](NC(=O)C[C@@](O)(C(=O)O)CC(=O)N[C@H](C(=O)O)CC(=O)O)C(=O)O)=C(O)C=C2)CCCN=C(N)N
Compound: Jietacin B
SMILES: O=C(CCCCCCC(C)C)CCCCCCCN=[N+]([O-])C=C
Compound: 5-chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methylisocoumarin
SMILES: ClC1=C(OC)C=C(O)C2=C1C[C@H](C)OC2=O
Compound: Methyl (S)-8-hydroxy-6-methoxy-5-methyl-4a-(3-oxobutan-2-yl)benzoate
SMILES: O=C(OC)C1=C(O)C=C(OC)C(=C1[C@@H](C(=O)C)C)C
Compound: Microginin 606B
SMILES: O=C(O)C(N(C(=O)C(N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)C(C)C)C)CC(C)C)C)CC1=CC=C(O)C=C1
Compound: Orsellide E
SMILES: O=C1C(OC(=O)C2=C(O)C=C(O)C=C2C)=CO[C@H](C1)C
Compound: (5R)-Dihydro-5-pentyl-4'-methyl-4'-hydroxy-2(3H)-furanone
SMILES: O=C1O[C@H](CCCC(O)(C)C)CC1
Compound: Jietacin A
SMILES: O=C(CCCCCC(C)C)CCCCCCCN=[N+]([O-])C=C
Compound: 2-allyl-3,5-dichloro-1,4-dihydroxycyclopent-2-enoic acid methyl ester
SMILES: ClC1=C(/C=C/C)[C@](O)(C(=O)OC)[C@@H]([C@@H]1O)Cl
Compound: Quinomycin I
SMILES: S1(=O)C(SC)[C@@H]2N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=NC=4C(=CC=CC4)N=C3)COC([C@@H](N(C([C@H](C1)N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C5=NC=6C(=CC=CC6)N=C5)COC([C@@H](N(C2=O)C)[C@H](CC)C)=O)C)C)=O)C)[C@H](CC)C)=O)C)C
Compound: UK-79465
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)[C@@H]([C@H]3O)OC(=O)C(C)C)O[C@@H](C2)CC=C([C@H](OC(=O)C(CC)C)[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)[C@H]5OC4)C)O)C)C
Compound: WF-10129
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N[C@H](C(=O)O)CC(=O)CC[C@@H](O)C)C)CC1=CC=C(O)C=C1
Compound: Microginin 590B
SMILES: O=C(O)C1N(C(=O)C(N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)CC2=CC=C(O)C=C2)C)CC(C)C)CCC1
Compound: Guignardone R
SMILES: O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(OC)(C)C)C)[C@@H](O)C[C@@H]1OC
Compound: Quinomycin J
SMILES: S1(=O)C(SC)[C@@H]2N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=NC=4C(=CC=CC4)N=C3)COC([C@@H](N(C([C@H](C1)N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C5=NC=6C(=CC=CC6)N=C5)COC([C@@H](N(C2=O)C)[C@H](C(C)C)C)=O)C)C)=O)C)[C@H](C(C)C)C)=O)C)C
Compound: Paradictyoarthrin A
SMILES: Cl[C@@]12C(=O)C3=C(O)C=C(OC)C=C3[C@@H]([C@@]1(O)C[C@@](O)(C)[C@H]([C@H]2O)O)O
Compound: Saframycin Mx1
SMILES: O=C1C(OC)=C(C(=O)C2=C1[C@@H](N3[C@@H](O)[C@H]4[C@@H](OC)C=5C([C@@H]([C@@H]3C2)N4C)=C(O)C(OC)=C(C)C5O)CNC(=O)[C@@H](N)C)C
Compound: 6,8-Dichlorogenistein
SMILES: ClC1=C2OC=C(C3=CC=C(O)C=C3)C(C2=C(O)C(=C1O)Cl)=O
Compound: K-13
SMILES: O=C1NC(C(=O)NC(C(=O)O)CC2=CC(OC=3C=C(CC1NC(=O)C)C=CC3)=C(O)C=C2)CC4=CC=C(O)C=C4
Compound: Microginin 578A
SMILES: O=C(O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C(NC)CCCCCCC)C)C)CC(C)C)CC1=CC=C(O)C=C1
Compound: Morakotin A
SMILES: O=C1C2=C(O)C(OC)=C(OC)C=C2C(=O)C=3C1=C(O)C=C(O)C3
Compound: Bisabosqual C
SMILES: O=CC1=C(C=C2O[C@](CCC=C(C)C)(C)[C@H]3[C@]4(C2=C1O[C@H]4[C@@](O)(CC3)C)O)C=O
Compound: Fosfonochlorin
SMILES: ClCC(P(=O)(O)O)=O
Compound: Mulundocandin
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N3C[C@@H](C)[C@H]([C@@H]3C(N[C@H]([C@H](C[C@@H](C(N[C@@H]1[C@@H](O)C)=O)NC(=O)CCCCCCCCCC[C@H](CC)C)O)O)=O)O)CO)[C@@H](O)[C@@H](O)C4=CC=C(O)C=C4)C[C@@H](C2)O
Compound: Coniothiepinol B
SMILES: S1C=2OC3=C(C(O)=CC(=C3)C)C(C2[C@@H](C(=O)OC)[C@H](CC1)O)=O
Compound: Microginin 578C
SMILES: O=C(O)C(N(C(=O)C(N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)C)C)CC1=CC=C(O)C=C1)C)CC(C)C
Compound: Morakotin B
SMILES: O=C1C2=C(O)C(OC)=C(OC)C=C2C(=O)C=3C1=C(O)C=C(OC)C3
Compound: Soudanone E
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2C)CCCCCC(O)C
Compound: Dimerumic acid
SMILES: O=C1NC(C(=O)NC1CCCN(O)C(=O)/C=C(/CCO)\C)CCCN(O)C(=O)/C=C(/CCO)\C
Compound: Neoenactin M2
SMILES: O=C(N(O)CCC(=O)CCCCCC[C@@H](O)CCCCCC)[C@H](N)CO
Compound: Microginin 580
SMILES: O=C(O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)CO)C)CC(C)C)CC1=CC=C(O)C=C1
Compound: Acremoxanthone E
SMILES: O=C1C2=C(O)C3=C(C4=C(C[C@@]56[C@@H](O)C=7C=C(C)C=C(C7C(=C6C([C@H]4C=C5)=O)O)O)C=C3O)O[C@@]2(C(=O)OC)[C@H](O)C=C1
Compound: Morakotin C
SMILES: O=C1C2=C(O)C(OC)=CC(=C2C(=O)C3=C1C(C4=C5C(=O)C6=C(O)C(OC)=CC(=C6C(C5=C(O)C=C4O)=O)O)=C(O)C=C3O)O
Compound: Cordycecin A
SMILES: O=C1O[C@@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@H](C(O[C@@H](C(N[C@H]1CC(C)C)=O)C(C)C)=O)CC(C)C)C(C)C)CC(C)C)C(C)C
Compound: Neoenactin B2
SMILES: O=C(N(O)CCC(=O)CCCCCCC(=O)CCCCC(C)C)[C@@H](N)CO
Compound: Heterobactin B
SMILES: O=C1N(O)CCC[C@@H]1NC(=O)CNC(=O)[C@H](N)CCCNC(=O)C2=C(O)C(O)=CC=C2
Compound: Microginin 576
SMILES: ClCCCCCCCC(N)C(O)C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)O)C(C)C)CC(C)C)C)CC(C)C
Compound: Blazeispirol E
SMILES: O1[C@@]2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(OC)C=C5)CO)C=C4)CC3)C)C
Compound: Luminmide C
SMILES: O=C1NC(C(=O)NC(C(=O)NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CC(C)C)CC2=CC=CC=C2)CC(C)C
Compound: Bacillomycin Lc 4
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)CCCCCCCCCCCCC
Compound: Neoenactin B1
SMILES: O=C(N(O)CCC(=O)CCCCCCC(=O)CCC[C@H](CC)C)[C@H](N)CO
Compound: Microginin 598
SMILES: ClCCCCCCCC(N)C(O)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)O)CC2=CC=C(O)C=C2)CCC1)C(O)C
Compound: (2SR, 3RS)-2-benzyltetrahydrofuran-3-ol
SMILES: O1[C@@H]([C@@H](O)CC1)CC2=CC=CC=C2
Compound: Morakotin D
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=C(OC)C3)C(C4=C5C(=O)C6=C(C(O)=CC(=C6)O)C(C5=C(O)C=C4O)=O)=C(O)C=C2O
Compound: Mevalagmapeptide B
SMILES: O=C(N([C@H](C(=O)N[C@H](C(=O)NCCCCN)C(C)C)C(C)C)C)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C)C)C(C)C
Compound: 5,6,8-trihydroxy-4-(1'-hydroxyethyl) isocoumarin
SMILES: O=C1OC=C([C@@H](O)C)C2=C1C(O)=CC(=C2O)O
Compound: Actinoidin A2
SMILES: ClC1=C2OC3=C(O[C@@H]4O[C@H]([C@@H](O)[C@@H]([C@H]4O[C@@H]5O[C@@H]([C@H](O)[C@H]([C@H]5O)O)C)O)CO)C=6OC7=CC=C([C@@H](O)[C@@H](NC(=O)[C@@H](N)C8=CC=C(O)C=C8)C(N[C@H](C(N[C@H](C(=C3)C6)C(=O)N[C@@H]9C(NC([C@H](C(=C1)C=C2)O[C@H]%10O[C@H]([C@H](OC)[C@H](C%10)N)C)C(=O)N[C@@H](C%11=C(C(O[C@H]%12O[C@@H]([C@@H](O)[C@@H]([C@@H]%12O)O)CO)=CC(=C%11)O)C=%13C=C9C=CC%13O)C(=O)O)=O)=O)CC%14=CC=CC=C%14)=O)C=C7
Compound: Elijopyrone D
SMILES: O=C1OC(=C(C)C=C1CC(C)C)C=C
Compound: Morakotin E
SMILES: O=C1C2=C(O)C(C3=C(O)C=4C(=O)C5=C(O)C=C(O)C=C5C(C4C=C3O)=O)=C(O)C=C2C(=O)C=6C1=C(O)C=C(OC)C6
Compound: Microginin 550
SMILES: O=C(NC(C(=O)O)CC1=CC=C(O)C=C1)C2N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)CO)CCC2
Compound: Aldaulactone
SMILES: O=C1C2=C(O)C(=C(O)C=C2CC(=O)O[C@H](CC=C1)C)C(=O)C
Compound: Xiamycin
SMILES: O=C(O)[C@@]1([C@@H](O)CC[C@]2([C@H]1CCC3=C2C=C4C5=C(C=CC=C5)NC4=C3)C)C
Compound: Abbeymycin
SMILES: O=C1N2[C@H]([C@H](OC)NC3=C1C=CC=C3)C[C@@H](C2)O
Compound: Nocathiacin I
SMILES: S1C/2=NC(=C1)C(=O)N[C@@H]3C=4SC=C(N4)C(=O)N[C@H](C=5SC=C(C6=C(C7=NC(C(N[C@H](C(N\C2=C(\OC)/C)=O)[C@H](O)C)=O)=CS7)C=C(O)C(=N6)C=8SC=C(N8)C(=O)NC(C(=O)N)=C)N5)COC(C9=C%10CO[C@@H]3[C@H](O[C@@H]%11O[C@H]([C@@H](N(C)C)[C@](C%11)(O)C)C)C(=O)OCC%12=C%10C(=CC=C%12)N9O)=O
Compound: Streptophenazine Q
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)[C@@H](OC(=O)CNC=O)[C@H](C(=O)O)CCC(C)C)N=C2C=CC1
Compound: Flupyranochromene
SMILES: O=C1C2=C(C(O)=C(O)C=C2OC3=C1[C@H](OC(=C3)C)O)C(=O)O
Compound: Microginin 534
SMILES: O=C(NC(C(=O)O)CC1=CC=C(O)C=C1)C2N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)C)CCC2
Compound: (+)-ethyl nonactate
SMILES: O=C(OCC)[C@H]([C@H]1O[C@@H](C[C@H](O)C)CC1)C
Compound: Galactostatin
SMILES: OC1N[C@@H]([C@H](O)[C@@H]([C@H]1O)O)CO
Compound: Streptophenazine R
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)[C@@H](OC(=O)CNC=O)[C@H](C(=O)O)CCCCC)N=C2C=CC1
Compound: Emerixanthone C
SMILES: O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)C[C@H](OC)C(OC)(C)C
Compound: Microginin 568
SMILES: ClCCCCCCCC(N)C(O)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)O)CC2=CC=C(O)C=C2)CCC1)C
Compound: Retipolide D
SMILES: O=C1OCCC2=CC(OC3=CC=C(C[C@]14OC(=O)C(=C4C=5C=COC(CC5)=O)O)C=C3)=C(O)C(=C2)O
Compound: Akazamicin
SMILES: O=C1C2=C(OC)C3=C(C4=C(O)C(=C(CN)C=C4CC3)C(=O)O)C(=C2C(=O)C=5C1=C(O)C(=C(O)C5)C)O
Compound: Aldgamycin G
SMILES: O=C1O[C@H]([C@@H]([C@@H]2O[C@@H]2C=CC(=O)[C@H](C[C@H]([C@H]([C@H](C=C1)C)O[C@@H]3O[C@@H](C[C@]4([C@H]3O)OC(=O)O[C@H]4C)C)C)C)CO[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5OC)OC)C)C
Compound: GP6738
SMILES: O=C1NC(C(=O)NC(C(=O)NC(C2=CC(O)=CC(=C2)O)C(=O)O)CC3=CC=C(OC=4C=C5C1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C6=CC(O)=CC(=C6)O)C7=CC(O)=CC(=C7)O)C(C)C)CC=8NC=9C=C(C(=C5)C4O)C=CC9C8)C%10=CC(O)=CC(=C%10)O)C=C3)C%11=CC(O)=CC(=C%11)O
Compound: 2,5-dihydroxy-3,6-bis[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]cyclohexa-2,5-diene-1,4-dione
SMILES: O=C1C(O)=C(C(=O)C(=C1CC=2C3=C(C=CC=C3)NC2CC=C(C)C)O)CC=4C5=C(C=CC=C5)NC4CC=C(C)C
Compound: MC-ER
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)CCC(=O)O)C
Compound: 9-epi-solanioic acid
SMILES: O=C(O)[C@]1(C(=CC[C@@H]1[C@@H](C=C[C@@H](C(C)C)C)C)[C@H]2C(=C3C[C@@H](O)CC[C@@]3([C@H]2C=O)C)C=O)C
Compound: Deacyl-GP1416
SMILES: ClC1=C2OC3=C(O[C@H]4O[C@H]([C@H](O)[C@@H]([C@@H]4N)O)CO)C=5OC6=CC=C(CC7NC(=O)C(N)C=8C=CC(=C(OC=9C=C(C(C(NC(C(=C3)C5)C(=O)NC%10C(NC(C(C(=C1)C=C2)O[C@H]%11O[C@@H]([C@@H](O)[C@@H]([C@H]%11NC(=O)C)O)CO)C(=O)NC(C%12=C(C(O[C@H]%13OC([C@@H](O)[C@@H]([C@@H]%13O)O)CO)=CC(=C%12)O)C=%14C=C%10C=CC%14O)C(=O)O)=O)=O)NC7=O)C=C(O)C9)C8)O)C=C6
Compound: Scytoscalarol
SMILES: O[C@@H]1[C@]2([C@H]3[C@@]([C@@H]4[C@@]([C@@H](C(=C)CC4)CN=C(N)N)(C)CC3)(CC[C@@H]2C(C)(C)CC1)C)C
Compound: Monacolin M
SMILES: O=C1O[C@@H](C[C@H](C1)O)CC[C@@H]2[C@@H]3C(C=C[C@H]2C)=C[C@H](C)C[C@@H]3OC(=O)C[C@H](O)C
Compound: Syringolin C
SMILES: O=C1NCCC=CC(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C(CC)C)C(NC(C=C1)C(C)C)=O
Compound: Speibonoxamine
SMILES: O=C(NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)C)CCC(=O)NCCCCCNC(=O)C
Compound: [D-Asp3]MC-(H2)YR
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=3C=C[C@H](O)CC3)C
Compound: 9-methylstreptimidone 2-alpha-D-glucopyranoside
SMILES: O=C1NC(=O)CC(C1)C[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)CC(=O)[C@H](/C=C(/C=C\C)\C)C
Compound: RPI-856 A/B
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)C(C)C)C(C)C)C(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](N)C(C)C)C1=CC(O)=CC(=C1)O)CC(C)C)CC2=CC=CC=C2
Compound: Herbimycin C
SMILES: O=C1NC=2C(=O)C(=CC(C2)=O)[C@H](OC)[C@H](C[C@@H](OC)[C@@H](O)[C@@H](C=C([C@H]([C@@H](C=CC=C1C)OC)OC(=O)N)C)C)C
Compound: Desoxy-desferrioxamine D1
SMILES: O=C(N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)C)CCC(=O)NCCCCCNC(=O)C
Compound: Pinicolic acid D
SMILES: O=C1[C@@H]([C@]2(CC=C3C([C@@]2(C1)C)=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)[C@H](C(=O)O)CCC=C(C)C
Compound: [D-Asp3]MC-RE
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCC(=O)O)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: Benzanthrin B
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=CC3)C4=C(O[C@H]5O[C@@H]([C@@H](O)[C@H](C5)N(C)C)C)C(=C(C)C=C4C=C2O)[C@H]6O[C@H]([C@H](O)[C@H](C6)N(C)C)C
Compound: Hydroxyiso-9-methylstreptimidone
SMILES: O=C1NC(=O)CC(C1)C[C@@H](O)CC(=O)/C(=C/C(=C/C(O)C)/C)/C
Compound: FW0622
SMILES: O=C(N(O)CCCCCNC(=O)CC/C=C/CCCCC)CCC(=O)NCCCCCN(O)C(=O)C
Compound: Cytochalasin Z5
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C([C@H]([C@@H]3C=CC[C@H](C)CCC[C@H](C=C1)O)O)=C)CC4=CC=C(O)C=C4
Compound: Metachelin A-CE
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)/C=C(/CCOC(=O)/C=C/CCN(O)C(=O)/C=C(/CCO[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)\C)\C)CCCN(O)C(=O)/C=C(/CCO[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)\C
Compound: Leucopaxillone B
SMILES: O=C1C(C2=CC[C@H]3[C@]4([C@@]5(C([C@@H]([C@H](OC(=O)C)C[C@@H](OC(=O)C)C(O)(C)C)C)CC4)C[C@@]([C@]3([C@@H]2CC1)C)(OC5)O)C)(C)C
Compound: MC-RE
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](CCC(=O)O)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: Benzanthrin A
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=CC3)C4=C(O[C@H]5O[C@@H]([C@H](O)[C@H](C5)N(C)C)C)C(=C(C)C=C4C=C2O)[C@H]6O[C@H]([C@H](O)[C@H](C6)N(C)C)C
Compound: GKK1032C
SMILES: O=C1C23OC2[C@](O)(CC4=CC=C(O[C@H]5[C@@H]6[C@@H]1[C@](C=C(C)[C@H]6[C@@]7(C[C@H](C)C[C@@H]([C@@H]57)C)C)(C=C)C)C=C4)NC3=O
Compound: 4-Amino-N-(1-((2R,5S,6R)-5-(((2R,3R,4S,5S,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
SMILES: O=C1N=C(NC(=O)C2=CC=C(N)C=C2)C=CN1[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](N(C)C)[C@@H]([C@H]4O)O)C)CC3)C
Compound: Cyclo-(glycyl-L-seryl-L-prolyl-L-glutamyl)
SMILES: O=C1N2[C@H](C(=O)N[C@@H](C(=O)NCC(N[C@H]1CO)=O)CCC(=O)O)CCC2
Compound: Dimerumic acid 11-mannoside
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)/C=C(/CCO[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)\C)CCCN(O)C(=O)/C=C(/CCO)\C
Compound: MC-(H2)YG
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)NCC(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=3C=C[C@H](O)CC3)C
Compound: Methyl 6-carbamoylphenazine-1-carboxylate
SMILES: O=C(OC)C=1C2=NC=3C(=C(C(=O)N)C=CC3)N=C2C=CC1
Compound: Terrestrin B
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)CCC
Compound: Validoxylamine G
SMILES: OC1(C(O)C(O)C(O)C(C1)NC2C=C(C(O)C(C2O)O)CO)CO
Compound: Metachelin C
SMILES: O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)/C=C(/CCOC(=O)[C@@H]([N+]([O-])(C)C)CCCN(O)C(=O)/C=C(/CCO)\C)\C)CCCN(O)C(=O)/C=C(/CCO[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)\C
Compound: Elfvingic acid H
SMILES: O=C1C=C2[C@](C(C(=C)C)C[C@@H]3[C@]2(O3)[C@]4([C@]1([C@@H](/C(=C\C(O)CC(C(=O)O)C)/C)C[C@H]4O)C)C)(CCC(=O)O)C
Compound: Thatisin
SMILES: O=C1N2[C@H](C(=O)NCC(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC4=CC=CC=C4)CC(=O)O)CCC3)CC(=O)O[C@@H]([C@@H]5NC(=O)[C@@H](NC([C@@H](NC([C@H]([C@H](OC(C[C@@H](C(N[C@H]1CC(=O)O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]6N(C(=O)CNC5=O)CCC6)CC(=O)N)=O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)CC(=O)O)[C@H](O)C)=O)CC=7NC=NC7)=O)C)C)CCC2
Compound: 6-hydroxyphenazine-1-carboxamide
SMILES: O=C(N)C=1C2=NC=3C(=C(O)C=CC3)N=C2C=CC1
Compound: MC-RM
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)CCCN=C(N)N)C(=O)O)C)C
Compound: Validamycin G
SMILES: O1[C@@H](O[C@@H]2[C@@](O)(C[C@@H](N[C@@H]3C=C([C@@H](O)[C@H]([C@H]3O)O)CO)[C@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: 1-Phenylheptane-1,5-dione
SMILES: O=C(C1=CC=CC=C1)CCCC(=O)CC
Compound: Vibralactone G
SMILES: O=C1O[C@@H](C)C[C@@H]1C/C=C(\CO)/C
Compound: (2S)-2,3-dihydro-5,6-dihydroxy-2-methyl-4H-1-benzopyran-4-one
SMILES: O=C1C2=C(O)C(O)=CC=C2O[C@H](C1)C
Compound: MC-(H2)YA
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)CC=3C=C[C@H](O)CC3)C
Compound: Propioxatin B
SMILES: O=C(N[C@@H](C(=O)O)C(C)C)[C@@H]1N(C(=O)[C@@H](CC(=O)NO)CC(C)C)CCC1
Compound: [(1R,2R,3R,4R,5S)-2-[7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-triacetyloxyoctoxy]-3-acetamido-4,5-diacetyloxy-1-hydroxycyclopentyl]methyl acetate
SMILES: O=C(O[C@@H]1[C@](O)([C@H](OCC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)CCC([C@@H]2[C@H]3[C@]([C@@H]4[C@@]([C@]5([C@@H]([C@@]6([C@H](C(CCC6)(C)C)CC5)C)CC4)C)(C)CC3)(C)CC2)C)[C@@H]([C@H]1OC(=O)C)NC(=O)C)COC(=O)C)C
Compound: Applanatumin A
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@]13[C@H](C(=O)O)CC[C@H]3[C@]45[C@@H](O)[C@@](C(=O)O)(C[C@H](C4)C=C(C5)C=O)CC(=O)C6=C(O)C=CC(=C6)O
Compound: Hancockinone A
SMILES: O=C1C2=C(O)C3=C(O)C=C(O)C=C3C(=C2C[C@@]4(C1=C(C(=O)C4)C(=O)C)O)CC=C(C)C
Compound: (2′R)-2-(2′-hydroxypropyl)-4-methoxyl-1,3-benzenediol
SMILES: O(C1=C(O)C(=C(O)C=C1)C[C@H](O)C)C
Compound: MC-EE
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](CCC(=O)O)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)CCC(=O)O)C
Compound: Deoxycollybolidol
SMILES: O=C1O[C@@H](C2=COC=C2)C[C@@H]3[C@H]1C[C@@H]4OC([C@]3(C4)C)=O
Compound: Myxarylin
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)O)CC2=CN=CN2C=3C=C(C[C@@H]1NC)C=CC3O)CC(C)C
Compound: Dioxolide B
SMILES: O=C(N)C1=CC=C2O[C@H](O[C@@H]2C1)COC(=O)C
Compound: Propioxatin A
SMILES: O=C(N[C@H](C(=O)O)C(C)C)[C@@H]1N(C(=O)[C@H](CC(=O)NO)CCC)CCC1
Compound: 4-ethyl-3-hydroxy-6-propenyl-2H-pyran-2-one
SMILES: O=C1OC(=CC(=C1O)CC)/C=C/C
Compound: [Asp3]MC-LE
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCC(=O)O)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: Ansalactam A
SMILES: O=C1C(=CC(=C[C@H](C=C(C(=O)[C@@H]([C@H]2[C@@]3(C(C4=C(C1=C(O)C(=C4)C)C(=O)C3)=O)NC(=O)[C@@H]2CC(C)C)C)C)C)C)C
Compound: Phenguignardic acid butyl ester
SMILES: O=C/1O[C@](C(=O)OCCCC)(CC2=CC=CC=C2)O\C1=C\C3=CC=CC=C3
Compound: MC-LE
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](CCC(=O)O)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: fluopsin C
SMILES: CN1O[Cu]2(ON(C)C=[S]2)[S]=C1
Compound: Triacsin B
SMILES: O=NN/N=C/C=C/C=C/C=C/C=C/CC
Compound: Pyloricidin A2
SMILES: O=C(N[C@@H](C1=CC=CC=C1)CC(=O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CC(C)C)CO
Compound: Albidopyrone
SMILES: O=C1OC(C2=CC=C(NC(=O)C)C=C2)=CC(=C1C)O
Compound: Attinimicin
SMILES: O=C1N(O)CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCNC(=O)[C@H]2N=C(C3=C(O)C=CC=C3)OC2)CO)CCCN(O)C=O
Compound: Perennipin A
SMILES: O=C1OC(C2=C(O[C@@H]3OC[C@@H](O)[C@@H]([C@H]3O)O)C=CC(=C2)O)C=C1CC=CC(C)C
Compound: Triacsin A
SMILES: O=NN/N=C/C=C/C=C/CCCCCC
Compound: MC-HilA
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@H](CC)C)C
Compound: Gavibamycin B1
SMILES: O=C(OC1C(O)CC(OC2C(O)CC3(OC4(CC(OC5C(OC)C(OC(C5O)OC6C(O)C(OC)C(OC7OCC8OC9(OC8C7OC(=O)C(C)C)OC(C(O)(C(=O)C)C%10C9OCO%10)C)OC6COC)C)OC(C4O3)C)C)OC2C)OC1C)C%11=C(O)C=C(O)C=C%11C
Compound: L-156,602
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@@](O)([C@@]2(O[C@@H]([C@@H](C[C@H](CC)C)CC2)C)O)C)C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](C)C(NCC(N4[C@H](C(N([C@@H]1C)O)=O)CCCN4)=O)=O)C(C)C
Compound: Bacillibactin E
SMILES: O=C1O[C@@H]([C@H](NC(=O)CNC(=O)C2=C(O)C(O)=CC=C2)C(=O)O[C@H](C)[C@@H](C(O[C@@H]([C@@H]1NC(=O)CNC(=O)C3=C(O)C(O)=CC=C3)C)=O)NC(=O)CNC(=O)C4=CN=CC=C4)C
Compound: Perennipin B
SMILES: O=C1OC(C2=C(O[C@@H]3OC[C@@H](O)[C@@H]([C@H]3O)O)C=CC(=C2)O)C4C1(O4)CCC=C(C)C
Compound: Viriplanin A
SMILES: O=NC1(C(OC2OC(C(OC(=O)/C(=C/C(=O)O)/C)C(C2)OC)C)C(OC(C1)OC3C(O)CC(OC4C(O)CC(O[C@@H]5C6=C(O)C=7C(=O)C8=C(C9=C([C@]%10(O[C@@H](C9)C[C@@H]([C@@H]%10OC%11OC(C(OC%12OC(C(OC%13OC(C(O)C(C%13)O)C)C(C%12)(N=O)C)C)C(C%11)O)C)N(C)C)C)C=C8O)C(C7C=C6[C@@H](C(=O)OC)[C@@](C5)(O)C)=O)OC4C)OC3C)C)C
Compound: Bacillibactin F
SMILES: O=C1O[C@@H]([C@H](NC(=O)CNC(=O)C2=C(O)C(O)=CC=C2)C(=O)O[C@H](C)[C@@H](C(O[C@@H]([C@@H]1NC(=O)CNC(=O)C3=C(O)C(O)=CC=C3)C)=O)NC(=O)CNC(=O)C4=CC=CC=C4)C
Compound: MC-HilAba
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(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@H](CC)C)C
Compound: Spirodihydrobenzofuranlactam II
SMILES: O=C1N(CC2=C1C=C3OC4(C5(C(C(C(O)CC5)(C)C)CCC4C)C)CC3=C2O)CCO
Compound: Closthioamide
SMILES: S=C(NCCC(=S)NCCC(=S)NCCCNC(=S)CCNC(=S)CCNC(=S)C1=CC=C(O)C=C1)C2=CC=C(O)C=C2
Compound: Serrawettin W2-FV8
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(CO)C(NC(C(NC(C(NC1C(C)C)=O)CC2=CC=CC=C2)=O)C(O)C)=O)CC(C)C)CCCCC
Compound: Perennipin C
SMILES: O=C(O)C(=CCC1=C(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)C=CC(=C1)O)CC=CC(C)C
Compound: Bagougeramine B
SMILES: O=C1N=C(N)C=CN1[C@@H]2O[C@@H](C(=O)NCCCNCCCCN)[C@@H](NC(=O)[C@H](NC(=O)CNC)CN=C(N)N)[C@@H]([C@H]2O)O
Compound: MC-FV
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)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: Serrawettin W2-YV10
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(CO)C(NC(C(NC(C(NC1C(C)C)=O)CC2=CC=C(O)C=C2)=O)C(O)C)=O)CC(C)C)CCCCCCC
Compound: POH 1
SMILES: SCC(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(N)[C@H](O)C)CCC(=O)O)[C@H](O)C)CCC1)CCC(=O)N)C(=O)NC(C(=O)NC(C(=O)NCC(=O)N2C(C(=O)N)CCC2)[C@@H](O)C)CC(=O)N
Compound: 18-O-b-D-Xylopyranosyl-18S-hydroxydihydroprotolichesterinate21-O-b-D-glucopyranoside
SMILES: O=C1O[C@@H](CCCCCCCCCCCCCC(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)C)[C@@H]([C@@H]1C)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO
Compound: Preaustinoid A6
SMILES: O=C1[C@@]2(C(=C)[C@](C[C@@H]3[C@@]2(CC[C@@H]([C@]3(CCC(=O)O)C)C(O)(C)C)C)(C)C([C@@]1(O)C)=O)C(=O)OC
Compound: Bagougeramine A
SMILES: O=C1N=C(N)C=CN1[C@@H]2O[C@H](C(=O)N)[C@@H](NC(=O)[C@H](NC(=O)CNC)CN=C(N)N)[C@@H]([C@H]2O)O
Compound: MC-WV
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)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=3C4=C(C=CC=C4)NC3)C
Compound: Serrawettin W2-YI8
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(CO)C(NC(C(NC(C(NC1C(CC)C)=O)CC2=CC=C(O)C=C2)=O)C(O)C)=O)CC(C)C)CCCCC
Compound: 10-Methyldodec-3-en-4-olide
SMILES: O=C1OC(CCCCC[C@H](CC)C)=CC1
Compound: Roubetaoellatide
SMILES: ClC1=C([C@](O)(C(=O)OC)[C@@H](C1=O)Cl)[C@H]2[C@@H](C(C(=O)O)=C[C@@H]([C@@H]2C)C)/C=C/C
Compound: Preaustinoid A7
SMILES: O=C1[C@@]2(C(=C)[C@](C[C@@H]3[C@@]2(CC[C@@H]([C@]3(CCC(=O)O)C)C(=C)C)C)(C)C([C@@]1(O)C)=O)C(=O)OC
Compound: Serrawettin W2-FV12:1
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(CO)C(NC(C(NC(C(NC1C(C)C)=O)CC2=CC=CC=C2)=O)C(O)C)=O)CC(C)C)CCCCCCCCC
Compound: Aerucyclamide DSO2
SMILES: S(=O)(=O)(CCC1NC(=O)C=2N=C(CNC(=O)C3N=C(C(NC(C4N=C1SC4)=O)CC5=CC=CC=C5)OC3C)SC2)C