MonarchInit/C3PO huggingface dataset:
Compound: Bolagladin A
SMILES: O=C1OC[C@H](NC(=O)/C=C/NC(=O)/C=C\CCCCCCC/C=C\CCCCC(OC)(C(=O)O)CC(=O)O)C(=O)N[C@H](C(C)C)C(N[C@H](C(N[C@H]1CO)=O)CCO)=O
Compound: Polyoxin I
SMILES: O=C1N(C=C(CO)C(N1)=O)[C@@H]2O[C@H]([C@H](N)C(=O)N3[C@@H](/C(=C/C)/C3)C(=O)O)[C@H]([C@H]2O)O
Compound: Pradimicin S
SMILES: S(=O)(=O)(O[C@@H]1[C@H](O)[C@@H](O[C@@H]([C@H]1O)CO)O[C@@H]2[C@@H](O)[C@@H](O[C@H]([C@@H]2NC)C)O[C@@H]3C4=C(C(O)=C(C(=O)N[C@H](C(=O)O)C)C(=C4)C)C=5C(O)=C6C(=O)C=7C=C(OC)C=C(C7C(C6=CC5[C@@H]3O)=O)O)O
Compound: [D-Leu1]MC-HphR
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)CCC3=CC=CC=C3)CC(C)C
Compound: Jiangrine F
SMILES: O=C1NC=NC2=C1C=3N(C=CC3)CC2
Compound: Bolagladin B
SMILES: O=C1OC[C@H](NC(=O)/C=C/NC(=O)/C=C\CCCCCCC/C=C\CCCCC(OC)(C(=O)O)CC(=O)O)C(=O)N[C@H]([C@@H](CC)C)C(N[C@H](C(N[C@H]1CO)=O)CCO)=O
Compound: Bisordariol C
SMILES: O(CC1=C(O)C=CC=C1/C=C/[C@@H](O)[C@@H](O)C)CC2=C(O)C=CC=C2/C=C/[C@@H](O)[C@@H](O)C
Compound: Polyoxin J
SMILES: O=C1N(C=C(C)C(N1)=O)[C@@H]2O[C@H]([C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(=O)N)C(=O)O)[C@H]([C@H]2O)O
Compound: Pradimicin FB
SMILES: O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](O[C@@H]5O[C@@H]([C@H](NC)[C@@H]([C@H]5O)O)C)[C@H](C3C=C2C(=O)C6=C1C=C(OC)C=C6O)O)C(=O)N[C@H](C(=O)O)CO
Compound: (1S)-7-[(2E)-but-2-enoyl]-1,3,3,6-tetramethyl-2,3-dihydro-1H-indene-1-carbaldehyde
SMILES: O=C(C1=C(C=CC2=C1[C@@](C=O)(CC2(C)C)C)C)/C=C/C
Compound: MC-LHty
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](CCC2=CC=C(O)C=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC3=CC=CC=C3)C)/C)=O)C)CC(C)C)C
Compound: Sorangipyranone
SMILES: O=C1C(=C(O[C@@H](C1)/C=C/[C@H](CC)C)CC[C@@H](C(=O)O)C)C
Compound: 12-methoxy sordariol
SMILES: O(CC1=C(O)C=CC=C1/C=C/[C@H](O)[C@H](O)C)C
Compound: Ammosester A
SMILES: ClC=1C(=N)C=2NC(C(=O)OC)=CC=3C2C(C1N)=[N+](C3)C
Compound: Pradimicin FS
SMILES: S(=O)(=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)CO)O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2NC)C)O[C@@H]3C4=C(C(O)=C(C(=O)N[C@@H](C(=O)O)CO)C(=C4)C)C=5C(O)=C6C(=O)C=7C=C(OC)C=C(C7C(C6=CC5[C@H]3O)=O)O)O
Compound: Polyoxin K
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(=O)N)C(=O)N3[C@@H](/C(=C/C)/C3)C(=O)O)[C@H]([C@H]2O)O
Compound: Brevicompanine F
SMILES: O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)N[C@H]1CC(C)C)C(=O)CCC
Compound: MC-YY
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC3=CC=CC=C3)C)/C)=O)C)CC4=CC=C(O)C=C4)C
Compound: Ammosester B
SMILES: ClC1=C(N)C2=NC(C(=O)OC)=CC3=C2C(=C1N)N(C3=O)C
Compound: Lyophyllanetriol A
SMILES: O1[C@@]2(O)[C@](O)([C@H]3C=C(CC[C@@H]3[C@H]([C@@H]2O)C)C)C(C1)=C
Compound: Heliconol B
SMILES: O1[C@@]2(O)[C@](O)([C@@H](O)CC2)[C@@H]([C@H]1CCCCCCCCCO)O
Compound: Polyoxin L
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(=O)N)C(=O)O)[C@H]([C@H]2O)O
Compound: [D-Asp3,NMe-Ser7]MC-YHar
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N([C@H]1CO)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CC3=CC=C(O)C=C3)C
Compound: Pradimicin FL
SMILES: O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](O[C@@H]5O[C@@H]([C@H](NC)[C@@H]([C@H]5O)O[C@@H]6O[C@@H]([C@H](O)[C@@H]([C@H]6O)O)CO)C)[C@H](C3C=C2C(=O)C7=C1C=C(OC)C=C7O)O)C(=O)N[C@H](C(=O)O)CO
Compound: Ammosester C
SMILES: ClC=1C(=N)C=2NC(C(=O)OC)=CC=3C2C(C1N)=NC3O
Compound: (1S,2R)-3-oxo-2-pentylcyclopentane-1-hexanoic acid methyl ester
SMILES: O=C1[C@@H]([C@@H](CCCCCC(=O)OC)CC1)CCCCC
Compound: Huptremule B
SMILES: O=C1NC2=C([C@]3(NC4OC(=O)C=5C4(O)CC(O)C(C)C6C5CC(C)(C)C6)/C(=C/C)/[C@H](C2)C=C(C3)C)C=C1
Compound: Ammosamaic acid cogener
SMILES: ClC1=C(N)C2=NC(C(=O)O)=CC3=C2C(=C1N)N(C3=O)C
Compound: [D-Asp3,(E)-Dhb7]MC-LW
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CC=2C3=C(C=CC=C3)NC2)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)CC4=CC=CC=C4)C)/C)=O)CC(C)C)C
Compound: Pradimicin L
SMILES: O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@@H](O[C@@H]5O[C@H]([C@H](NC)[C@@H]([C@H]5O)O[C@@H]6O[C@@H]([C@H](O)[C@@H]([C@@H]6O)O)CO)C)[C@H](C3C=C2C(=O)C7=C1C=C(OC)C=C7O)O)C(=O)N[C@@H](C(=O)O)C
Compound: Saalfelduracin
SMILES: S=C1N[C@@H]2C=3SC=C(N3)[C@H]4N[C@@H](C=5SC=C(N5)C(=O)NC(C(=O)NC(C(=O)O)=C)=C)CC[C@]4(NC(=O)C(NC(=O)C(NC(=O)C(NC([C@@H](N[C@H]6[C@@H](C=7N=C(C(O[C@H]2C)=O)C=C([C@@H](O)C)C7C=C6)O)C)=O)=C)=C)=C)C=8SC=C(N8)C(=O)N[C@@H]([C@H](O)C)C(N\C(\C9=N[C@H](C(N[C@H](C%10=NC1=CS%10)[C@](O)([C@H](O)C)C)=O)CS9)=C\C)=O
Compound: Berninamycin J
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)N)[C@H](O)C)C2=C(N=C(C(=O)NC(C(=O)NC(C(=O)N)=C)=C)C=C2)C=3N=C(C(NC(=O)C(NC(=O)C=4N=C(C(NC(=O)[C@@H](NC(=O)C(NC(=O)C=5N=C(C(=O)CC)OC5C)=C)C(C)C)=C)OC4C)=C)=C)OC3
Compound: N-<(+)-7-iso-jasmonoyl-(S)>-isoleucine
SMILES: O=C1[C@H]([C@@H](CC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CC1)C/C=C\CC
Compound: T1801 B
SMILES: S(C1=C(SC)C(=O)C=C(C1=O)SC)C
Compound: [D-Asp3,(E)-Dhb7]MC-HtyW
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CC=2C3=C(C=CC=C3)NC2)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)CC4=CC=CC=C4)C)/C)=O)CCC5=CC=C(O)C=C5)C
Compound: Xenortide C
SMILES: O=C(N([C@H](C(=O)NCCC1=CC=CC=C1)CC2=CC=CC=C2)C)[C@@H](NC)C(C)C
Compound: Berninamycin K
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)N)[C@H](O)C)C2=C(N=C(C(=O)NC(C(=O)NC(C(=O)N)=C)=C)C=C2)C=3N=C(C(NC(=O)C(NC(=O)C=4N=C(C(NC(=O)[C@@H](NC(=O)C(NC(=O)C=5N=C(C(=O)CC)OC5C)=C)C(O)(C)C)=C)OC4C)=C)=C)OC3
Compound: Zincphyrin
SMILES: [Zn+2].O=C(O)CCC=1C=2N=C(C1C)C=C3NC(=CC=4NC(C=C5N=C(C2)C(=C5CCC(=O)O)C)=C(C4CCC(=O)O)C)C(=C3C)CCC(=O)O
Compound: Xylallantin A
SMILES: O1[C@]2(O)[C@H](O)C3=C[C@](C=C)(C)CC[C@@]3([C@@]4(C1)[C@@H](O)C[C@H](C([C@H]24)(C)C)O)O
Compound: Ustusolate C
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)/C=C/C=C/CC(O)C)C
Compound: MC-HphR
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)CCC3=CC=CC=C3)C
Compound: MA026
SMILES: O=C1OCC(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)CC(O)CCCCCCC)CC(C)C)CCC(=O)O)CCC(=O)N)C(C)C)CC(C)C)CCC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC(C(NC1C(CC)C)=O)CCC(=O)N)=O)CC(C)C)=O)CCC(=O)N)=O)CC(C)C)C(C)C
Compound: Microviridin J
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)O)CC=2NC=3C=CC=CC3C2)CCC(=O)NCCCC[C@@H]4NC(=O)C(CCCNC(=N)N)NC([C@@H]([C@H](OC(CC5C(N[C@H](C(N[C@@H]1CCC(=O)OC[C@H](NC(=O)[C@H]6N(C(=O)[C@H](CC7=CC=C(O)C=C7)NC4=O)CCC6)C(=O)N5)=O)CC=8C9=C(C=CC=C9)NC8)=O)=O)C)NC(=O)[C@@H](NC(=O)C(NC(=O)C)C(CC)C)CO)=O
Compound: Octacyclomycin
SMILES: O=C(O)C[C@]1(O[C@H]([C@H](OC)[C@H]([C@@H]1C)O[C@@H]2O[C@@H]([C@@H](OC)CC2)C)[C@@H]([C@H]3O[C@]4(O[C@@]([C@@H]5O[C@@]([C@@H]6O[C@@H]([C@H]7O[C@](O)([C@H](C)C[C@@H]7C)CO)C[C@@H]6O[C@@H]8O[C@@H]([C@@H](OC)CC8)C)(C)CC5)(C)CC4)C[C@@H]([C@H]3C)O)C)O
Compound: 5-methyl-8-(3-methylbut-2-enyl) furanocoumarin
SMILES: O=C1OC2=C(C(=C3C=COC3=C2CC=C(C)C)C)C=C1
Compound: Disorazole-G1
SMILES: O=C1OC(/C=C/C)C(C(O)CC=CC=CC=CC(OC)CC=2OC=C(N2)C(OC(CC=CC3C(C=CC=CC4=NC1=CO4)O3)C(C(O)/C=C/C)(C)C)=O)(C)C
Compound: Malleobactin X
SMILES: O=C(O)C(O)C(NC(=O)C(N)CCCN(O)C=O)C(=O)NC(C(=O)NC(C(=O)NCCCCN)CCCN(O)C=O)CO
Compound: [D-Asp3]MC-MR
SMILES: S(CC[C@@H]1NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC(C[C@@H](NC1=O)C(=O)O)=O)CCCN=C(N)N)=O)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)=O)C(=O)O)C)=C)C)C
Compound: Macrobrevin
SMILES: O=C1OC(C(CC(/C=C/C=C(/C=C/C(O)C(CC)C)\C)C)C)CC(O)C(C=CC=CC(CC=C(C(C=CCC(C(C=C1)C)O)O)C)C)C
Compound: Metacytofilin
SMILES: O=C1O[C@](NC)(C(=O)N[C@]1(O)CC2=CC=CC=C2)CC(C)C
Compound: Frankobactin A1
SMILES: O=C(NCCC(=O)N[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN(O)C=O)CCCN)CCCNO)C)[C@H](O)C)[C@H]1N=C(C2=C(O)C=CC=C2)OC1
Compound: Gageotetrin C
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCC(CC(CC)C)C)CCC(=O)O)CC(C)C)CC(C)C)CC(C)C
Compound: Nodulisporic acid C1
SMILES: O=C(O)/C(=C/[C@H]1O[C@@]2(O)CC[C@]3([C@H]([C@@]2(C1)C)CC[C@@H]4[C@@]3(C=5NC=6C(=C7[C@@H](O)[C@@H]8C(OC(C=C8C7=CC6C5C4)(C)C)(C)C)CC=C(C)C)C)C)/C
Compound: [seco-4/5][D-Asp3]MC-LR
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@H](C(=O)O)CCCN=C(N)N)CC(C)C)C)C(N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](N)/C=C/C(=C/[C@@H]([C@@H](OC)CC1=CC=CC=C1)C)/C)C)C(=O)O)C)=C
Compound: Frankobactin A2
SMILES: O=C1O[C@@H]([C@@H](NC(=O)CCNC(=O)[C@H]2N=C(C3=C(O)C=CC=C3)OC2)C(=O)N([C@@H](CCCNO)C(N[C@H](C(N[C@H]1CCCN(O)C=O)=O)CCCN)=O)C)C
Compound: Nagstatin
SMILES: O=C(O)CC=1N=C2[C@H](NC(=O)C)[C@H](O)[C@@H]([C@H](N2C1)CO)O
Compound: 4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate
SMILES: O=C(OC1=C(C(OC)=C(O)C=C1)CC=C(C)C)C2=C(O)C=C(O)C=C2C
Compound: Frankobactin A3
SMILES: O=C(N[C@H](C(=O)NCCC(=O)N[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN(O)C=O)CCCN)CCCNO)C)[C@H](O)C)CO)C1=C(O)C=CC=C1
Compound: (R)-6-methoxymellein
SMILES: COc1cc(O)c2C(=O)O[C@H](C)Cc2c1
Compound: Aqabamycin G
SMILES: O=[N+]([O-])C1=C(O)C=CC(=C1)C=2C(=O)NC(C2C=3C4=C(C=CC=C4)NC3)=O
Compound: Micrococcin P2
SMILES: S1C/2=NC(=C1)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C=4SC=C(C5=C(C6=NC(C(N[C@H](C(N\C2=C/C)=O)[C@H](O)C)=O)=CS6)C=CC(=N5)C=7SC=C(N7)C=8SC=C(N8)C(=O)N/C(/C(=O)NCC(=O)C)=C\C)N4)[C@H](O)C)C(C)C
Compound: MC-MR
SMILES: S(CC[C@@H]1NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC1=O)C(=O)O)C)=O)CCCN=C(N)N)=O)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)=O)C(=O)O)C)=C)C)C
Compound: Frankobactin B1
SMILES: O=C(NCC(=O)N[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN(O)C=O)CCCN)CCCNO)C)[C@H](O)C)[C@H]1N=C(C2=C(O)C=CC=C2)OC1
Compound: Cytorhodin X
SMILES: O=C1C2=C(O)C3=C([C@H](O[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)N(C)C)C)[C@@](O[C@@H]7O[C@@H]([C@H](O)[C@@H](C7)N(C)C)C)(CC)CC3)C(=C2C(=O)C=8C1=C(O)C=CC8)O
Compound: (1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-9-one
SMILES: O=C1O[C@@H](CCCC=C[C@@H]2O[C@H](C[C@@H](O)CC=CC=C[C@@H](CC=CC=C1)O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)[C@H]2O)C
Compound: AKD-2D
SMILES: O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC(CC)C
Compound: Phomopsin E
SMILES: ClC1=C(O)C=2O[C@@]([C@H](NC(=O)[C@@H](NC([C@H]([C@H](C(=C1)C2)O)N(C)C)=O)C(=C)C)C(=O)N3[C@H](C(=O)N/C(/C(=O)N/C(/C(=O)O)=C/C(=O)O)=C(/CC)\C)C=CC3)(CC)C
Compound: [D-Asp3]MC-M(O)R
SMILES: S(=O)(CC[C@@H]1NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC(C[C@@H](NC1=O)C(=O)O)=O)CCCN=C(N)N)=O)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)=O)C(=O)O)C)=C)C)C
Compound: Frankobactin B2
SMILES: O=C1O[C@@H]([C@@H](NC(=O)CNC(=O)[C@H]2N=C(C3=C(O)C=CC=C3)OC2)C(=O)N([C@@H](CCCNO)C(N[C@H](C(N[C@H]1CCCN(O)C=O)=O)CCCN)=O)C)C
Compound: Cytochalasin U
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(CO)[C@H]3C)C)C
Compound: TAN-1057A
SMILES: O=C1NC(=NC[C@@H]1N(C(=O)C[C@@H](N)CCCN=C(N)N)C)NC(=O)N
Compound: Frankobactin B3
SMILES: O=C(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)O)CCCN(O)C=O)CCCN)CCCNO)C)[C@H](O)C)CO)C1=C(O)C=CC=C1
Compound: Griseusin F
SMILES: O=C1C2=C(C(O)=CC=C2)C(=O)[C@@H]3[C@]1([C@H]4OC(=O)C[C@H]4O[C@]35O[C@H](C[C@@H]([C@@H]5O)O)C)CC(=O)C
Compound: [D-Asp3]MC-M(O2)R
SMILES: S(=O)(=O)(CC[C@@H]1NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC(C[C@@H](NC1=O)C(=O)O)=O)CCCN=C(N)N)=O)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)=O)C(=O)O)C)=C)C)C
Compound: Microcin C7
SMILES: S(CC[C@H](NC=O)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[P+](OC[C@H]1O[C@@H](N2C3=NC=NC(=C3N=C2)N)[C@@H]([C@@H]1O)O)(OCCCN)O)CC(=O)O)C)CC(=O)N)[C@H](O)C)CCCN=C(N)N)C
Compound: Bacitracin F
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC=3NC=NC3)C(N[C@@H](C(N[C@H](C(NCCCC2)=O)CC(=O)N)=O)CC(=O)O)=O)CC4=CC=CC=C4)[C@H](CC)C)CCCN)[C@@H](CC)C)CCC(=O)O)CC(C)C)C(=O)[C@@H](CC)C
Compound: Frankobactin C1
SMILES: O=C(NCCC(=O)N[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN(O)C(=O)C)CCCN)CCCNO)C)[C@H](O)C)[C@H]1N=C(C2=C(O)C=CC=C2)OC1
Compound: Roritoxin D
SMILES: O=C1O[C@H]2[C@@]3([C@@]4([C@@H](C=C(C)CC4)OC(C2)C35OC5)COC(=O)C6[C@@]7([C@@H]8[C@](C=CC=C1)(OCC7)C(O)C(=O)O8)O6)C
Compound: 3-(2'-acetoxy-3'-oxo-4'-methylhexyl)-indole
SMILES: O=C(C(OC(=O)C)CC=1C2=C(C=CC=C2)NC1)C(CC)C
Compound: Frederiksenibactin
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)OC[C@H](NC(=O)[C@@H](NC(=O)C1=C(O)C(O)=CC=C1)CCCCN)C(=O)O)COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=C(O)C(O)=CC=C2)CCCCN)CO)CCCCN)C3=C(O)C(O)=CC=C3
Compound: MC-M(O2)R
SMILES: S(=O)(=O)(CC[C@@H]1NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC1=O)C(=O)O)C)=O)CCCN=C(N)N)=O)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)=O)C(=O)O)C)=C)C)C
Compound: A80915C
SMILES: Cl[C@@]12C(=O)C3=C(O)C(=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)CC4[C@@](O)(CC[C@@H](C4(C)C)Cl)C)=O)C
Compound: Sultriecin
SMILES: S(=O)(=O)(OC(C(C(O)/C=C/C=C/C=C/CCCCC)C)C/C=C/C1OC(=O)C=CC1O)O
Compound: Mycoepoxydiene
SMILES: O=C1O[C@H]([C@@H](OC(=O)C)C=C1)[C@H]2[C@H]3O[C@@H]([C@H]2C)C=CC=C3
Compound: Stlabetain
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)CC=4C5=C(C=CC=C5)NC4)CCC2)C)CC(=O)N)CC=6C7=C(C=CC=C7)NC6)CC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)C(C)C)=O)C(C)C)=O)CC(C)C)=O)C)CCC(=O)N)C(C)C
Compound: Scytonemin A
SMILES: O=C1N2[C@H](C(=O)N[C@@H]([C@H](O)C(=O)N[C@@H](C(=O)NCC(=O)N3[C@H](C(=O)N4C[C@@H]([C@@H]([C@H]4C(N[C@@H](C(N[C@H](C(N[C@@H](C(NCC(N[C@@H]1[C@@H](O)C(C)C)=O)=O)CC5=CC=CC=C5)=O)CCO)=O)CC(C)C)=O)C)O)[C@@H](C)[C@H](C3)O)CO)C[C@@H](OC(=O)[C@@H](NC(=O)C)C)CCCC(O)CC6=CC=CC=C6)[C@@H](C)CC2
Compound: Sporeamicin C
SMILES: O=C1O[C@H]([C@@]2(OC([C@H](C)C[C@@]([C@@H]([C@@H]([C@H]([C@H]1C)O[C@@H]3O[C@H]([C@H](O)[C@@](C3)(OC)C)C)C)O[C@@H]4O[C@@H](C[C@@H]([C@H]4O)NC)C)(O)C)=C(C2=O)C)C)CC
Compound: [D-Ser1,D-Asp3]MC-HtyR
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCC3=CC=C(O)C=C3)CO
Compound: 3"-hydroxy-7-methylnapyradiomycin B2
SMILES: Cl[C@@H]1C=C2C(=O)C3=C(O)C(=C(O)C=C3C([C@]2(CC4[C@@](O)(CC[C@@H](C4(C)C)Cl)C)OC1(C)C)=O)C
Compound: Deschlorosvetamycin A
SMILES: O=C1OCC(=O)N2N=C[C@H](O)[C@@H]([C@@H]2C(=O)N[C@H](C(=O)N3[C@@H](C(N4[C@H](C(N[C@]1(CO)C)=O)CCCN4)=O)CCCN3)C)O
Compound: Rubrumline E
SMILES: O=C/1NC(C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@H](O)C(OC)(C)C)NC2C(C=C)(C)C)=C
Compound: (+)-applanatumol G
SMILES: O=C1OC[C@]2([C@@]1(CC[C@H]2OCC)CC(=O)C3=C(O)C=CC(=C3)O)C(OC)OC
Compound: Svetamycin H
SMILES: Cl[C@@H]1CNN(C(=O)[C@@H](NC(=O)[C@@H]2N(N=C[C@@H]([C@@H]2O)O)C(=O)CO)C)[C@H](C1)C(=O)N3NCCC[C@H]3C(=O)N[C@](C(=O)O)(CO)C
Compound: Sporeamicin B
SMILES: O=C1O[C@H]([C@@]2(OC([C@H](C)C[C@@]([C@@H]([C@@H]([C@H]([C@H]1C)O[C@@H]3O[C@H]([C@H](O)[C@@](C3)(O)C)C)C)O[C@@H]4O[C@@H](C[C@@H]([C@H]4O)N(C)C)C)(O)C)=C(C2=O)C)C)CC
Compound: [seco-4/5][D-Asp3]MC-HtyR
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@H](C(=O)O)CCCN=C(N)N)CCC1=CC=C(O)C=C1)C)C(N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](N)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)C(=O)O)C)=C
Compound: (3R,10aR)-3-chloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-4a,6,8-trihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
SMILES: Cl[C@H]1C(O[C@]2(C(=O)C=3C=C(O)C(=C(C3C(C2(C1)O)=O)O)C)CC4[C@@](O)(CC[C@@H](C4(C)C)Cl)C)(C)C
Compound: Quartromicin A2
SMILES: O=C1C23OC(C1C(O)C(=CC=CC4C=C(C(C)CC45OC(O)C(C5=O)C(O)C=CC6(C=C(C(C)CC67OC(C(C(C(=CC=CC8(C9(C(C(C(C=CC2(C=C(C=O)C(C3)C)C)O)C(O9)O)=O)CC(C)C(=C8)COC%10OC(C(O)C(C%10O)O)CO)C)C)O)C7=O)O)CO)C)COC%11OC(C(O)C(C%11O)O)CO)C)O
Compound: Colobetaolactone D
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@]([C@@H]([C@@H](C5OC(=O)C(C)=CC5)C)C[C@H]4O)(C)CCC3C=C2C=C1)C)(C)C
Compound: Borregomycin E
SMILES: ClC1=CC=2NC=3C=4NC=5C=C(Cl)C=CC5C4C(=C(C3C2C=C1)OC)OC
Compound: [D-Asp3]MC-Hty(OMe)R
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCC3=CC(OC)=C(O)C=C3)C
Compound: Sporeamicin A
SMILES: O=C1O[C@@H]([C@]2(OC([C@H](C)C[C@]([C@@H]([C@H]([C@@H]([C@H]1C)O[C@@H]3O[C@H]([C@H](O)[C@@](C3)(OC)C)C)C)O[C@@H]4O[C@@H](C[C@@H]([C@H]4O)N(C)C)C)(O)C)=C(C2=O)C)C)CC
Compound: Cyclotine
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(N[C@H](CC(N[C@H]1CO)=O)C3=CC=CC=C3)=O)CC)CCC2
Compound: 8'-hydroxyzearalanone
SMILES: O=C1O[C@H](CC(O)CC(=O)CCCCCC=2C1=C(O)C=C(O)C2)C
Compound: Clecarmycin A1
SMILES: O=C1C2=C(OC(=C1)C3(OC3C4OC4)C)C=5C(=C(O)C=6C(=O)C7(C8OC(C(O)C(C8)=O)C)C(C(C6C5)=O)O7)C=C2C
Compound: Borregomycin F
SMILES: ClC1=CC=2NC=3C=4NC=5C=C(Cl)C=CC5C4C6=C(C3C2C=C1)C(=O)NC6=O
Compound: Naphthopyranomycin
SMILES: O=C1C2=C(O)C3=C(C=C(C)O[C@@H]3CCC)C=C2C(=O)C(=C1[C@H]4O[C@H]([C@H](O)CO4)CO)CC(=O)C
Compound: Cyclochlorotine B
SMILES: Cl[C@H]1[C@@H]2N(C(=O)[C@@H](NC(=O)C[C@@H](NC([C@@H](NC([C@@H](NC2=O)CC)=O)CO)=O)C3=CC=CC=C3)CO)CC1
Compound: [seco-4/5]MC-HtyR
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)CCC1=CC=C(O)C=C1)C)C(N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](N)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)C(=O)O)C)=C
Compound: (3S)-3,4-dihydro-5-(3-hydroxy-5-methylphenoxy)-2,2,7-trimethyl-2H-chromen-3-ol
SMILES: O1C2=C(C(OC3=CC(O)=CC(=C3)C)=CC(=C2)C)C[C@@H](C1(C)C)O
Compound: Oscillamide C
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)C(CC)C)=O)NC(=O)N[C@H](C(=O)O)CCCN=C(N)N)CC3=CC=CC=C3)CCC4=CC=C(O)C=C4)C
Compound: (+)-ABX-G
SMILES: ClC1=C(O)C=C(O)C2=C1C(C=3C=C4C[C@@]5(OC6=C([C@H](C4=C(C3C2=O)O)O5)C(=CC(=C6)OC)CO)C)(C)C
Compound: MC-034
SMILES: ClC1=C(C(=C(O)C=C1)C(=O)O[C@H]2[C@H](O)C[C@H](O[C@H]3[C@H](O)C(O)[C@H](O[C@@H]4[C@H]5C=C[C@H]6CCCCC=C[C@H]7C8(C(=C(OC([C@]6([C@@H]5CCC4)C)=O)C(=O)O8)O)C[C@@H](C)C(=C7)C(=O)O)O[C@@H]3C)O[C@@H]2C)C
Compound: (-)-ABX-K
SMILES: ClC1=C(O)C=C(O)C2=C1C(C=3C=C4C[C@]5(OC6=C([C@@H](C4=C(C3C2=O)O)O5)C(=CC(=C6)O)CO)C)(C)C
Compound: Deoxy-Cyclochlorotine
SMILES: Cl[C@H]1[C@@H]2N(C(=O)[C@@H](NC(=O)C[C@@H](NC([C@@H](NC([C@@H](NC2=O)CC)=O)CO)=O)C3=CC=CC=C3)C)C[C@H]1Cl
Compound: [Mser7]MC-HtyR
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([C@H]1CO)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CCC3=CC=C(O)C=C3)C
Compound: (1R,2S,3R,4S,5S)-2,3-epoxy-5-methylcyclohexane-1,4-diol
SMILES: O1[C@@H]2[C@@H](O)[C@@H](C)C[C@H]([C@H]12)O
Compound: N-methylpretrichodermamide B
SMILES: Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34SS[C@H](C5=C(O)C(OC)=C(OC)C=C5)[C@H](C(N3O2)=O)N(C4=O)C
Compound: Gausemycin A
SMILES: ClC1=CC(N)=C(C(=O)C[C@@H]2NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(C(C(NC([C@H]3N(C([C@@H](NC2=O)C)=O)CCC3)=O)C)NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@H](NC(=O)CCNC(=O)\C=C/C=C/C(C)C)CCCN)CC(O)C4=CC=CC=C4)C(O)CC(=O)O)CC5=CC=C(O[C@@H]6OC[C@H](O)[C@@H]([C@H]6O)O)C=C5)=O)CC(C)C)CC(=O)O)CO)C=C1
Compound: MC-033
SMILES: ClC1=C(C(=C(O)C=C1)C(=O)O[C@H]2[C@H](O)C[C@@H](O[C@H]3[C@H](O)C[C@@H](O[C@@H]4[C@H]5C=C[C@H]6CCCCC=C[C@H]7C8(C(=C(OC([C@]6([C@@H]5CCC4)C)=O)C(=O)O8)O)C[C@@H](C)C(=C7)C(=O)O)O[C@@H]3C)O[C@@H]2C)C
Compound: Limazepine C
SMILES: O=C1N2C=C(CC)C[C@H]2C=NC3=C1C=CC(=C3O)OC
Compound: Gallidermin
SMILES: S1C[C@@H](NC(=O)CNC(=O)/C(/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2NC(=O)CNC(=O)[C@@H]3CCCN3C([C@@H]([C@@H](SC2)C)NC(=O)[C@@H]4NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](CSC4)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](CC)C)C)=O)CCCCN)CC5=CC=CC=C5)CC(C)C)=O)C)CCCCN)=C\C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]6C(N[C@H](C(N[C@H](C1)C(=O)NC=CSC6)=O)CC7=CC=C(O)C=C7)=O)CC(=O)N)CC8=CC=CC=C8
Compound: [Gly1,D-Asp3,(E/Z)-Dhb7]MC-LHar
SMILES: O=C1NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCCN=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)CC2CCCCC2)C)/C)=O)CC(C)C
Compound: Palmarumycin  CP4
SMILES: O=C1C2=C(O)C=CC3([C@@H]2[C@H](O)CC1)OC=4C=5C(C=CC4)=CC=CC5O3
Compound: Gausemycin B
SMILES: ClC1=CC(N)=C(C(=O)C[C@@H]2NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(C(C(NC([C@H]3N(C([C@@H](NC2=O)C)=O)CCC3)=O)C)NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@H](NC(=O)CCNC(=O)\C=C/C=C/C(C)C)CCCNC(=O)CCN)CC(O)C4=CC=CC=C4)C(O)CC(=O)O)CC5=CC=C(O[C@@H]6OC[C@H](O)[C@@H]([C@H]6O)O)C=C5)=O)CC(C)C)CC(=O)O)CO)C=C1
Compound: Fumiquinazoline M
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C(NC([C@H]2C[C@@]4(O)C5=C(C=CC=C5)N6[C@@H]4NC7(CC7)C6=O)=O)=C[C@H]8O[C@@H]([C@@H](C)C=9C8=C(O)C(=C(O)C9C)C(=O)O)C
Compound: MC-032
SMILES: ClC1=C(C(=C(O)C=C1)C(=O)O[C@H]2[C@H](O)[C@H](O[C@H](C2)O[C@H]3[C@H](O)C(O)[C@H](O[C@@H]4[C@H]5C=C[C@H]6CCCCC=C[C@H]7C8(C(=C(OC([C@]6([C@@H]5CCC4)C)=O)C(=O)O8)O)C[C@@H](C)C(=C7)C(=O)O)O[C@@H]3C)C)C
Compound: 1-(4'-hydroxy-3',5'-dimethoxyphenyl)-1,8-dimethoxynaphthalen-2(1H)-one
SMILES: O=C1C=CC=2C=CC=C(C2[C@]1(OC)C3=CC(OC)=C(O)C(=C3)OC)OC
Compound: 6-OH-7-Ome-15-O-deMe-scytophycin B
SMILES: O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@]2(OC2)[C@@H](O)C[C@@H]3CC=C[C@@H](C[C@H]([C@H](C=C(C=C1)C)O)OC)O3)C)[C@H]([C@@H](O)[C@H](CCC(=O)[C@@H]([C@H](OC)[C@@H](/C=C/N(C=O)C)C)C)C)C
Compound: Azotobactin delta
SMILES: O=C1C(O)=CC2=CC=3NC(N4C3N(C2=C1)C(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(=O)N[C@@H]5C(=O)OCC5)CCCN(O)C(=O)C)CCO)CCCNC(=O)N)CO)[C@@H](O)C(=O)O)CCO)CO)CC(=O)O)CC4)=O
Compound: 7-OMe-29-OAc-scytophycin B
SMILES: O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@]2(OC2)[C@@H](OC)C[C@@H]3CC=C[C@@H](C[C@H](CC=C(C=C1)C)OC)O3)C)[C@H]([C@@H](O)[C@H](CCC(=O)[C@@H]([C@H](OC(=O)C)[C@@H](/C=C/N(C=O)C)C)C)C)C
Compound: Sandacrabin A
SMILES: N=1C2=C(C=C(C)C(=C2)C)N(C1/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
Compound: Sipanmycin B
SMILES: O=C1N[C@H](CC=C(C=CC=C(C=CC=C[C@@H]([C@@](C=CC=CC=C(C=C1C[C@H](CC)C)C)(O)C)O[C@@H]2OC[C@@H](O[C@@H]3O[C@@H]([C@@H](N(C)C)[C@@](C3)(O)C)C)[C@@H]([C@H]2N)O)C)C)C
Compound: Decarestrictine M
SMILES: O=C1OC(C2[C@@H](O)CC(C1)O2)CC(O)C
Compound: MC-031
SMILES: ClC1=C(C(=C(O)C=C1)C(=O)O[C@H]2[C@H](O)[C@H](O[C@H](C2)O[C@H]3[C@H](O)C[C@H](O[C@@H]4[C@H]5C=C[C@H]6CCCCC=C[C@H]7C8(C(=C(OC([C@]6([C@@H]5CCC4)C)=O)C(=O)O8)O)C[C@@H](C)C(=C7)C(=O)O)O[C@@H]3C)C)C
Compound: 2-(1H-indol-3-yl)quinazolin-4-(3H)-one
SMILES: O=C1NC(=NC2=C1C=CC=C2)C=3C4=C(C=CC=C4)NC3
Compound: Sandacrabin B
SMILES: [N+]=1(C2=C(C=C(C)C(=C2)C)N(C1)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
Compound: (R)-nipecotic acid
SMILES: OC(=O)[C@@H]1CCCNC1
Compound: Cerecidin A1
SMILES: S1CC(NC(=O)C(NC(=O)C2CCCN2C(\C(\NC(C(CC1)N)=O)=C\C)=O)CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N/C(/C(=O)NC(C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC(C(NC(CSC3)C(=O)NC(C(=O)O)CCCCN)=O)C(CC)C)CCCCN)C(CC)C)C(O)C)=C\C)CC(C)C)C(CC)C)C(CC)C)C(C)C)C(C)C
Compound: Sandacrabin C
SMILES: [N+]=1(C2=C(C=C(C)C(=C2)C)N(C1C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
Compound: RK-1409B
SMILES: O=C1NCC=2C1=C3C=4N([C@H]5O[C@@](N6C4C2C7=C6C=CC=C7)([C@H](OC)[C@H](C5)O)C)C8=C3C=CC=C8
Compound: Kibdelone B rhamnoside
SMILES: ClC=1C=2C(=O)C3=C(C4=C(O)C=5C(=O)C6=C([C@@H](O)C[C@@H]([C@@H]6O)O[C@H]7O[C@@H]([C@@H](O)[C@@H]([C@@H]7O)O)C)OC5C(=C4CC3)OC)C(C2C(=O)N(C1CCC)C)=O
Compound: Aeruginosin 892
SMILES: O=C(O)C1OC(OC2C(OC(=O)CCCCCCC)CC3CC(N(C3C2)C(=O)C(NC(=O)C(O)CC4=CC=C(O)C=C4)CC(C)C)C(=O)NCCCCN=C(N)N)C(O)C(C1O)O
Compound: RK-1409
SMILES: O=C1NC(=O)C2=C1C3=C4N([C@@]5(O[C@H](N6C4=C2C7=C6C=CC=C7)C[C@@H]([C@H]5OC)NC)C)C8=C3C=CC=C8
Compound: Sandacrabin D
SMILES: N=1C2=C(C=C(C)C(=C2)C)N(C1)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
Compound: Hebetaeltin E
SMILES: O=C1C2=C(OC(=C1)/C=C/C=C/C)O[C@@]3(CC[C@@H]4[C@@]([C@H]3C2)(CCC(C4(C)C)=O)C)C
Compound: Cerecidin A7
SMILES: S1CC(NC(=O)C(NC(=O)C2CCCN2C(\C(\NC(C(CC1)N)=O)=C\C)=O)CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N/C(/C(=O)NC(C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC(C(NC(CSC3)C(=O)NC(C(=O)O)CCCCN)=O)C(CC)C)CCCCN)C(CC)C)C)=C\C)C(CC)C)C(CC)C)C(CC)C)C(C)C)C(C)C
Compound: 2-methyl-4-hydroxypyridine
SMILES: O=C1C=C(NC=C1)C
Compound: Aeruginosin 878A
SMILES: O=C(O)C1OC(OC2C(OC(=O)CCCCC)CC3CC(N(C3C2)C(=O)C(N(C(=O)C(O)CC4=CC=C(O)C=C4)C)CC(C)C)C(=O)NCCCCN=C(N)N)C(O)C(C1O)O
Compound: 7-demethylnaphterpin
SMILES: O=C1C=2OC([C@H]3CCC(=C[C@@H]3C2C(=O)C=4C1=C(O)C=C(O)C4)C)(C)C
Compound: Sandacrabin E
SMILES: N=1C2=C(C=C(C)C(=C2)C)N(C1C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
Compound: Infectopyrone B
SMILES: O=C1OC(C(=CC(=CC(=O)O)C)C)=CC(=C1COC)OC
Compound: Aspergillazine D
SMILES: O=C1OC2=C(OC)C(OC)=CC=C2C=C1NC(=O)[C@]3(O[C@@H]4C=C[C@H]([C@@H]([C@@]4(C3)O)O)O)N
Compound: Protactin
SMILES: O=C(N[C@H](C(=O)N[C@@H](C(=O)N1[C@H](C(=O)N(CC(=O)N([C@H](C=O)C(C)C)C)C)CCC1C)C(=C)C)[C@H](O)C)C2=C(N)C(O)=C(C)C=C2
Compound: Aeruginosin 878B
SMILES: O=C(O)C1OC(OC2C(OC(=O)CCCCCC)CC3CC(N(C3C2)C(=O)C(NC(=O)C(O)CC4=CC=C(O)C=C4)CC(C)C)C(=O)NCCCCN=C(N)N)C(O)C(C1O)O
Compound: Nunapeptin
SMILES: O=C1OC(C(NC(=O)/C(/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)/C(/NC(=O)CC(O)CCCCCCCCC)=C/C)CCC2)C)C)C)C(C)C)C)=C/C)CO)C(C)C)C(CC)C)=C)C)C(C)C)C)C(C)C)=C/C)C(=O)NC(C(=O)NC(C(NC(C(NC1C(CC)C)=O)CO)=O)CCN)C)C
Compound: Propanochelin
SMILES: O=C(NCCCNC(=O)C1=C(O)C(O)=CC=C1)C2=C(O)C(O)=CC=C2
Compound: Inubosin A
SMILES: OC=1C2=NC=3C(=CC(CO)=CC3)C=C2C=CC1
Compound: FL-120-B
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=[N+]=[N-])C=4[C@@H](OC(=O)C(C)C)[C@]5(C)[C@H]([C@H](C34)O)O5
Compound: 6-methoxytaxifolin
SMILES: COc1c(O)cc2O[C@@H]([C@@H](O)C(=O)c2c1O)c1ccc(O)c(O)c1
Compound: Aeruginosin 850
SMILES: O=C(NCCCCN=C(N)N)C1N(C(=O)C(NC(=O)C(O)CC2=CC=C(O)C=C2)CC(C)C)C3CC(OC4OC(C(O)C(C4O)O)CO)C(CC3C1)OC(=O)CCCCC
Compound: Salivaricin P
SMILES: SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)CC(=O)N)CC1=CC=C(O)C=C1)CO)CC(=O)N)CCCNC(=N)N)CC=2C3=C(C=CC=C3)NC2)C(C)C)CC=4NC=NC4)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC=O)C(C)C)[C@H](CC)C)C
Compound: Nunamycin
SMILES: ClCC(O)C1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(CNC(C(NC(C(COC1=O)NC(=O)CC(O)CCCCCCCCCCC)=O)CCN)=O)=O)CCO)CCN)C(O)C)C(O)C)[C@H](O)C(=O)O
Compound: Butanochelin
SMILES: O=C(NCCCCNC(=O)C1=C(O)C(O)=CC=C1)C2=C(O)C(O)=CC=C2
Compound: Trichovirin II 2a
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C)(C)C)C)CC(C)C)C)CCC(=O)N)(C)C)C(C)C)(C)C)(CC)C)(C)C
Compound: Dynemicin N
SMILES: O=C1C2=C3N[C@H]4C5=C(C=CC=C5)[C@H]6[C@](C3=CC(=C2C(=O)C7=C1C(O)=CC=C7O)O)(O)[C@]4(O)[C@H](C(C(=O)O)=C6OC)C
Compound: Aeruginosin 848
SMILES: O=C(O)C1OC(OC2C(OC(=O)CCCCC)CC3CC(N(C3C2)C(=O)C(NC(=O)C(O)CC4=CC=CC=C4)CC(C)C)C(=O)NCCCCN=C(N)N)C(O)C(C1O)O
Compound: 20-hydroxylucidenic acid P
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3([C@@H]1OC(=O)C)C)C(O)(CCC(=O)O)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Pentanochelin
SMILES: O=C(NCCCCCNC(=O)C1=C(O)C(O)=CC=C1)C2=C(O)C(O)=CC=C2
Compound: 8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pteridine-2,4,7-trione
SMILES: O=C1NC=2N(C(=O)C(C)=NC2C(N1)=O)C3OC(CO)C(C3O)O
Compound: Dynemicin M
SMILES: O=C1C2=C3N[C@H]4C5=C(C=CC=C5)[C@H]6[C@](C3=CC(=C2C(=O)C7=C1C(O)=CC=C7O)O)(O)[C@]4(O)[C@H](C(=O)[C@H]6OC)C
Compound: Tolypamide
SMILES: S1C2=N[C@@H](C1)C(=O)C[C@H](C(=O)N[C@H](C(=O)N3[C@H](C4=N[C@H](C(N[C@H]2CC5=CC=C(O)C=C5)=O)CS4)CCC3)C)[C@H](OCC=C(C)C)C
Compound: Aeruginosin 822
SMILES: O=C(NCCCCN=C(N)N)C1N(C(=O)C(NC(=O)C(O)CC2=CC=C(O)C=C2)CC(C)C)C3CC(OC4OC(C(O)C(C4O)O)CO)C(CC3C1)OC(=O)CCC
Compound: Tunicamycin D
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@H](O)C[C@H]3O[C@@H](O[C@@H]4O[C@H]([C@H](O)[C@H]([C@@H]4NC(=O)C)O)CO)[C@H](NC(=O)/C=C/CCCCCCCCCCCC(C)C)[C@H]([C@H]3O)O)[C@H]([C@H]2O)O
Compound: Phenylacetyl 6-deoxy-alpha-L-talopyranoside
SMILES: O=C(O[C@@H]1O[C@H]([C@@H](O)[C@H]([C@H]1O)O)C)CC2=CC=CC=C2
Compound: Sterhirsutin I
SMILES: O=C1C(OC(=O)[C@@]2(C[C@H]3[C@]4([C@H](CC([C@@H]4C)=O)C[C@H]3C2)C)C)=C5C[C@H]6C[C@@](C[C@H]6[C@@]5(C1=C)C)(C(=O)OC=7C(=O)C(=C)[C@@]8(C7C[C@H]9C[C@@](C[C@@H]89)(C(=O)O)C)C)C
Compound: Hexacosalactone A
SMILES: O=C1O[C@@H](C(C)C)CC(=O)[C@@H](C[C@@H]([C@@H](O)[C@@H]([C@@H](O)C[C@@H](OC)[C@@H](C)[C@H](CC=C(C=CC=C(C=CC=C1C)C)C)OC(=O)/C=C/C(=O)NC2=C(O)CCC2=O)C)C)C
Compound: Dynemicin L
SMILES: Cl[C@]12C3=C(N[C@@H]4[C@@]1(O)[C@H](C(C(=O)O)=C([C@H]2C=5C=CC=CC45)OC)C)C=6C(=O)C7=C(C(O)=CC=C7O)C(C6C(=C3)O)=O
Compound: Aeruginosin 836
SMILES: O=C(O)C1OC(OC2C(OC(=O)CCC)CC3CC(N(C3C2)C(=O)C(NC(=O)C(O)CC4=CC=C(O)C=C4)CC(C)C)C(=O)NCCCCN=C(N)N)C(O)C(C1O)O
Compound: Xantholysin A
SMILES: O=C1OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCC)CC(C)C)CCC(=O)O)CCC(=O)N)C(C)C)CC(C)C)CCC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(CCC(=O)N)C(NC(C(NC(C(NC(C(NC1C(CC)C)=O)CCC(=O)N)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)C(C)C
Compound: W-Cycloheptyl-a-hydroxytridecanoic acid
SMILES: O=C(O)[C@@H](O)CCCCCCCCCCCC1CCCCCC1
Compound: Fulvic acid
SMILES: O=C1C2=C(C(O)=C(O)C=C2OC3=C1CO[C@@](C3)(O)C)C(=O)O
Compound: Aeruginosin 766
SMILES: O=C(O)C1OC(OC2C(O)CC3CC(N(C3C2)C(=O)C(NC(=O)C(O)CC4=CC=C(O)C=C4)CC(C)C)C(=O)NCCCCN=C(N)N)C(O)C(C1O)O
Compound: Strevertene C
SMILES: O=C1O[C@@H]([C@H](C=CC=CC=CC=CC=C[C@@H](O)[C@@H]([C@@H](C[C@@H](CCC[C@@H](C[C@@H](C[C@@H]([C@H]1C)O)O)O)O)O)C(=O)O)C)CC
Compound: Viranamycin B
SMILES: O=C1O[C@H]([C@@H](OC)C=CC=C(C[C@@H](C)[C@@H]([C@H]([C@@H]([C@H](C=C(C=C1OC)C)C)O)CC)O)C)[C@@H]([C@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@H](C2)O[C@H]3O[C@@H]([C@H](OC(=O)N)[C@H](C3)O)C)C)O)C)C
Compound: Cephaibol C
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)NC(CO)CC4=CC=CC=C4)CCC3)(C)C)CC(C2)O)(C)C)CCC(=O)N)CC(C1)O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC5=CC=CC=C5)(C)C)(C)C)(C)C)(C)C)CC(C)C)(CC)C)(C)C
Compound: Xantholysin B
SMILES: O=C1OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCC)CC(C)C)CCC(=O)O)CCC(=O)N)C(C)C)CC(C)C)CCC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(CCC(=O)N)C(NC(C(NC(C(NC(C(NC1C(C)C)=O)CCC(=O)N)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)C(C)C
Compound: Aminochelin
SMILES: O=C(NCCCCN)C1=C(O)C(O)=CC=C1
Compound: Viranamycin A
SMILES: O=C1O[C@@H]([C@H](OC)C=CC=C(C[C@H](C)[C@H]([C@@H]([C@@H]([C@H](C=C(C=C1OC)C)C)O)CC)O)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)O)C)C
Compound: Anabaenopeptin 897
SMILES: O=C1N(C(C(=O)N(C(C(=O)NC(C(=O)NCCCCC(C(NC1C(CC)C)=O)NC(=O)NC(C(=O)O)CC2=CC=CC=C2)CC3=CC=CC=C3)CC(=O)N)C)CCC4=CC=CC=C4)CC
Compound: 6-hydroxymethyl-1-phenazine-carboxamide
SMILES: O=C(N)C=1C2=NC=3C(=C(C=CC3)CO)N=C2C=CC1
Compound: Arsindoline A
SMILES: N=1C=2C(C(C(C=3C4=C(C=CC=C4)NC3)C=5C6=C(C=CC=C6)NC5)=CC1)=CC=CC2
Compound: Xantholysin C
SMILES: O=C1OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC(O)C/C=C\CCCCCC)CC(C)C)CCC(=O)O)CCC(=O)N)C(C)C)CC(C)C)CCC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(CCC(=O)N)C(NC(C(NC(C(NC(C(NC1C(CC)C)=O)CCC(=O)N)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)C(C)C
Compound: Emerimicin V
SMILES: O=C(N1[C@H](C(=O)NC(C(=O)N[C@H](CO)CC2=CC=CC=C2)(C)C)C[C@H](C1)O)[C@](NC(=O)C(NC(=O)[C@H]3N(C(=O)C(NC(=O)[C@](NC(=O)[C@@H](NC(=O)CNC(=O)[C@](NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC4=CC=CC=C4)(C)C)(C)C)(C)C)(CC)C)CC(C)C)(CC)C)(C)C)C[C@@H](C3)O)CCC(=O)N)(CC)C
Compound: Piericidin B1 N-oxide
SMILES: O=C1C(OC)=C(OC)N(O)C(=C1C)C/C=C(/C/C=C/C(=C/[C@@H]([C@H](OC)/C(=C/C)/C)C)/C)\C
Compound: Anabaenopeptin 871
SMILES: O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=C(O)C=C2)=O)C(CC)C)=O)NC(=O)NC(C(=O)O)CC3=CC=CC=C3)CCC4=CC=C(O)C=C4)C)C
Compound: Guignardin C
SMILES: O=C1C2=C(O)C=CC=C2C3(OC=4C=5C(C=CC4)=CC=CC5O3)C=C1O
Compound: Pedein A
SMILES: ClC1=CC=2NC=C(C2C=C1)C[C@H]3NC(=O)CN(C(=O)C[C@@]4(O)NC(=O)[C@@H]([C@@H]4NC(=O)[C@@H](O)[C@H](NC(C[C@@H](CNC(CNC3=O)=O)O)=O)[C@H](O)[C@@H](O)C/C=C/C=C/C5=CC=CC=C5)OC)C
Compound: Emerimicin VI
SMILES: O=C(N1[C@H](C(=O)NC(C(=O)N[C@H](CO)CC2=CC=CC=C2)(C)C)C[C@H](C1)O)[C@](NC(=O)C(NC(=O)[C@H]3N(C(=O)C(NC(=O)[C@](NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC4=CC=CC=C4)(C)C)(C)C)(C)C)(C)C)CC(C)C)(CC)C)(C)C)C[C@@H](C3)O)CCC(=O)N)(CC)C
Compound: Warkmycin CS1
SMILES: O=C1C2=C(C(=O)C3=C1[C@@]4(O)[C@](O)([C@H](O)C(C)=C[C@@H]4O[C@H]5O[C@H]([C@@H](O)[C@@H](C5)OC)C)[C@H]([C@H]3O)OC(=O)C)C(O)=C([C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](OC(=O)N)CC8)C)[C@](C7)(O)C)C)C)C=C2
Compound: Anabaenopeptin 877b
SMILES: O=C1N(C(C(=O)NCCCCC(NC(=O)NC(C(=O)O)CCCCN)C(NC(C(NC(C(NC1CC(=O)NC)=O)CCC2=CC=CC=C2)=O)C(CC)C)=O)CC3=CC=CC=C3)CC
Compound: Emerimicin VII
SMILES: O=C(N1[C@H](C(=O)NC(C(=O)N[C@H](CO)CC2=CC=CC=C2)(C)C)C[C@H](C1)O)[C@](NC(=O)C(NC(=O)[C@H]3N(C(=O)C(NC(=O)[C@](NC(=O)[C@@H](NC(=O)CNC(=O)[C@](NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC(C)C)(C)C)(C)C)(C)C)(CC)C)CC(C)C)(CC)C)(C)C)C[C@@H](C3)O)CCC(=O)N)(CC)C
Compound: Dynemicin Q
SMILES: O=C1C2=C3N[C@H]4C5=C(C=CC=C5)[C@H]6[C@](C3=CC(=C2C(=O)C7=C1C(O)=CC=C7O)O)(O)[C@]4(O)C(=C(O)C6=O)C
Compound: Chlorocylindrocarpol
SMILES: ClC1=C(O)C(=C(O)C(=C1C)C=O)C/C=C(/CC/C=C(/CC[C@H](O)C(O)(C)C)\C)\C
Compound: Sinefungin VA
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC[C@H](N)C[C@H]1O[C@@H](N2C3=NC=NC(=C3N=C2)N)[C@@H]([C@@H]1O)O)C(C)C)C
Compound: Warkmycin CS2
SMILES: O=C1C2=C(C(=O)C3=C1[C@@]4(O)[C@](O)([C@H](OC(=O)C)C(C)=C[C@@H]4O[C@H]5O[C@H]([C@@H](O)[C@@H](C5)OC)C)[C@H]([C@H]3O)OC(=O)C)C(O)=C([C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](OC(=O)N)CC8)C)[C@](C7)(O)C)C)C)C=C2
Compound: Emerimicin VIII
SMILES: O=C(N1[C@H](C(=O)NC(C(=O)N[C@H](CO)CC2=CC=CC=C2)(C)C)C[C@H](C1)O)[C@](NC(=O)C(NC(=O)[C@H]3N(C(=O)C(NC(=O)[C@](NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC(C)C)(C)C)(C)C)(C)C)(C)C)CC(C)C)(CC)C)(C)C)C[C@@H](C3)O)CCC(=O)N)(CC)C
Compound: Anabaenopeptin 905
SMILES: O=C1N(C(C(=O)N(C(C(=O)NC(C(=O)NCCCCC(C(NC1C(CC)C)=O)NC(=O)NC(C(=O)O)CCCN=C(N)N)CC2=CC=CC=C2)CC(=O)N)C)CCC3=CC=CC=C3)CC
Compound: Dynemicin P
SMILES: O=C1C2=C3N[C@H]4C5=C(C=CC=C5)[C@H]6[C@](C3=CC(=C2C(=O)C7=C1C(O)=CC=C7O)O)(O)[C@]4(O)[C@H](C(=O)[C@@H]6O)C
Compound: Atranone F
SMILES: O=C1O[C@@]2([C@H](CC=C(C(OC(=O)C)[C@@]3(C(=C(CC2)C)OC(=O)C3)O)C)C(=C1)C(C)C)C
Compound: 11-Acetoxy-N-hydroxymethyl-pretubulysin
SMILES: S1C(=NC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H](C(=O)O)C)C(OC(=O)C)C[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]3N(CCCC3)C)[C@H](CC)C)CO)C(C)C
Compound: Emerimicin IX
SMILES: O=C(N1[C@H](C(=O)NC(C(=O)N[C@H](CO)CC2=CC=CC=C2)(C)C)C[C@H](C1)O)[C@](NC(=O)C(NC(=O)[C@H]3N(C(=O)C(NC(=O)[C@](NC(=O)[C@@H](NC(=O)CNC(=O)[C@](NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C)C(C)C)(C)C)(C)C)(C)C)(CC)C)CC(C)C)(CC)C)(C)C)C[C@@H](C3)O)CCC(=O)N)(CC)C
Compound: Dynemicin O
SMILES: O=C1C2=C3N[C@H]4C5=C(C(O)=CC=C5)[C@H]6[C@](C3=CC(=C2C(=O)C7=C1C(O)=CC=C7O)O)(O)[C@]4(O)[C@H](C(=O)[C@@H]6OC)C
Compound: Anabaenopeptin 857
SMILES: O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=C(O)C=C2)=O)C(C)C)=O)NC(=O)NC(C(=O)O)CC3=CC=CC=C3)CCC4=CC=C(O)C=C4)C)C
Compound: Emerimicin X
SMILES: O=C(N1[C@H](C(=O)NC(C(=O)N[C@H](CO)CC2=CC=CC=C2)(C)C)C[C@H](C1)O)[C@](NC(=O)C(NC(=O)[C@H]3N(C(=O)C(NC(=O)[C@](NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C)C(C)C)(C)C)(C)C)(C)C)(C)C)CC(C)C)(CC)C)(C)C)C[C@@H](C3)O)CCC(=O)N)(CC)C
Compound: Trypacidin
SMILES: O=C1C=C(OC)[C@@]2(OC=3C=C(C)C=C(C3C2=O)OC)C(=C1)C(=O)OC
Compound: Halolitoralin C
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)[C@H](CC)C)C(C)C
Compound: Glomerella cingulata peptide
SMILES: O=C(NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC1=CC=CC=C1)CC(C)C)CC(=O)N)CC=2NC=NC2)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CC4=CC=C(O)C=C4)CC5=CC=CC=C5)CO)CC6=CC=C(O)C=C6)CCC3
Compound: Megapolibactin Acyc
SMILES: O=C1OC[C@H](NC(=O)[C@H](NC(=O)CNC(=O)C[C@H](O)CCCCCCC)[C@@H](O)C(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H]1CCC[N+]([O-])=NO)=O)C)=O)CCC[N+]([O-])=NO)[C@H](O)C
Compound: Anabaenopeptin 864
SMILES: O=C1N(C(C(=O)N(C(C(=O)NC(C(=O)NCCCCC(C(NC1C(CC)C)=O)NC(=O)NC(C(=O)O)CCCCN)CC2=CC=CC=C2)CC(=O)N)C)CCC3=CC=CC=C3)C
Compound: Capuramycin
SMILES: O=C1NCCCC[C@@H]1NC(=O)C=2O[C@H](O[C@@H](C(=O)N)[C@H]3O[C@@H](N4C(=O)NC(=O)C=C4)[C@@H]([C@@H]3OC)O)[C@@H](O)[C@H](C2)O
Compound: Gymnopeptide A
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N(CC(=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(N([C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)C(C)C)=O)C(C)C)C)=O)C)=O)C(C)C)C)=O)C(C)C)=O)C(C)C)C)=O)C(C)C)C(C)C)C)CO)C(C)C)C)C)C(C)C)C)C)C)C(C)C)C)C
Compound: Cytoblastin
SMILES: O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1C(C)C)C)C=CC3[C@H](C=4C5=C(C=CC=C5)NC4)[C@H](O)CO)CO
Compound: Fosfomycin monophosphate
SMILES: P(=O)(OP(=O)(O)C1OC1C)(O)O
Compound: Megapolibactin Bcyc
SMILES: O=NN(O)CCC[C@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC([C@H](COC1=O)NC(=O)[C@H](NC(=O)CNC(=O)C[C@H](O)CCCCCCCCC)[C@@H](O)C(=O)O)=O)[C@H](O)C)CCCN(O)N=O)C
Compound: Mureidomycin B
SMILES: S(CC[C@H](NC(=O)NC(C(=O)O)CC1=CC(O)=CC=C1)C(=O)N[C@@H](C(=O)N/C=C\2/OC(N3C(=O)NC(=O)CC3)C(C2)O)C(N(C(=O)[C@@H](N)CC4=CC(O)=CC=C4)C)C)C
Compound: Communiol E
SMILES: O1[C@H]2[C@H](CC[C@@H]2CO)C[C@H]1[C@@H](O)CC
Compound: Anabaenopeptin 891
SMILES: O=C1N(C(C(=O)N(C(C(=O)NC(C(=O)NCCCCC(C(NC1C(CC)C)=O)NC(=O)NC(C(=O)O)CCCN=C(N)N)CC2=CC=CC=C2)CC(=O)N)C)CCC3=CC=CC=C3)C
Compound: Atramycin B
SMILES: O=C1C2=C3C(=O)C[C@@H](C)CC3=CC=C2C(=O)C4=C1C=CC=C4O[C@@H]5O[C@@H]([C@H](O)[C@H]([C@H]5O)O)C
Compound: Heinamide A1
SMILES: O=C/1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CC3=CC=CC=C3)C(N4[C@H](C(NCC(N[C@@H](CC(N[C@H](C(N\C1=C\C)=O)CO)=O)CCCCC)=O)=O)C[C@@H](O)C4)=O)[C@H](CC)C)CC(C)C)CC5=CC=C(O)C=C5)CO)C[C@H](C2)O
Compound: (+)-3,3′,7,7′,8,8′-hexahydroxy-5,5′-dimethylbianthraquinone (2240A)
SMILES: O=C1C2=C(O)C(C3=C(O)C=4C(=O)C5=C(O)C=C(C)C=C5C(C4C(=C3)O)=O)=CC(=C2C(=O)C=6C1=C(O)C=C(C)C6)O
Compound: Mureidomycin C
SMILES: S(CC[C@H](NC(=O)NC(C(=O)O)CC1=CC(O)=CC=C1)C(=O)N[C@@H](C(=O)NC=C2OC(N3C(=O)NC(=O)C=C3)C(C2)O)C(N(C(=O)[C@@H](NC(=O)CN)CC4=CC(O)=CC=C4)C)C)C
Compound: Heinamide A2
SMILES: O=C/1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CC3=CC=CC=C3)C(N4[C@H](C(NCC(N[C@@H](CC(N[C@H](C(N\C1=C\C)=O)CO)=O)CCCCC)=O)=O)C[C@@H](O)C4)=O)[C@H](CC)C)CC(C)C)CC5=CC=C(O)C=C5)CO)CCC2
Compound: Anabaenopeptin 848
SMILES: O=C1N(C(C(=O)N(C(C(=O)NC(C(=O)NCCCCC(C(NC1C(CC)C)=O)NC(=O)NC(C(=O)O)CC(C)C)CC2=CC=CC=C2)CC(=O)N)C)CCC3=CC=CC=C3)C
Compound: Gabosine E
SMILES: O=C1C(=C[C@H](O)[C@@H]([C@H]1O)O)CO
Compound: Atramycin A
SMILES: O=C1C2=C(C(=O)C=3C1=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@@H]4O)O)C)C=CC3)C=5C(=O)C[C@@H](C)CC5C=C2O
Compound: Termitomycesphin D
SMILES: O=C(N[C@H]([C@H](O)/C=C/C/C=C/C(O)(CCCCCCCCC)C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)CCCCCCCCCCCCCCCC
Compound: Heinamide A3
SMILES: O=C/1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CC3=CC=CC=C3)C(N4[C@H](C(NCC(N[C@@H](CC(N[C@H](C(N\C1=C\C)=O)CO)=O)CCCCC)=O)=O)CCC4)=O)[C@H](CC)C)CC(C)C)CC5=CC=C(O)C=C5)CO)CCC2
Compound: Mureidomycin D
SMILES: S(CC[C@H](NC(=O)NC(C(=O)O)CC1=CC(O)=CC=C1)C(=O)N[C@@H](C(=O)NC=C2OC(N3C(=O)NC(=O)CC3)C(C2)O)C(N(C(=O)[C@@H](NC(=O)CN)CC4=CC(O)=CC=C4)C)C)C
Compound: Anabaenopeptin 850
SMILES: O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=CC=C2)=O)C(CC)C)=O)NC(=O)NC(C(=O)O)CCCCN)CC3=CC=CC=C3)CC(=O)N)C
Compound: Heinamide B1
SMILES: O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)CC(C)C)=O)CCOC(=O)N)=O)C(O)C(C)C)=O)[C@@H](CC)C)=O)CC(O)CCC)[C@H](O)C)CC3=CC=C(O)C=C3)[C@@H](O)C(C2)C)C(C)C)C(O)CO)[C@H](CC)C)C
Compound: Poststatin
SMILES: O=C(N[C@@H](C(=O)N(C(=O)[C@@H](N)C(CC(=O)[C@@H](N)C(C)C)C)[C@H](C(=O)O)C(C)C)CC(C)C)C(=O)[C@@H](N)CC
Compound: Rulepidadiene A
SMILES: C1=2C=C[C@H]3[C@@H]([C@@]1([C@@H](C)CCC2)C)C3(C)C
Compound: KS-505a
SMILES: O=C1OC(O)(CCC(=O)OC)C=2C1=C3C(O[C@]4(CCC5[C@](C4C3)(CCC6[C@@]5(CCC7[C@]6(CCC8[C@@]7([C@@H](CC9[C@]8(CCC%10[C@@]9([C@@H](CC([C@@]%10(C(=O)O)C)OC%11O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]%11OC)O)C)C)C)C)C)C)CO)C)CO)=CC2
Compound: Heinamide B2
SMILES: O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)CC(C)C)=O)CCOC(=O)N)=O)C(O)C(C)C)=O)[C@@H](CC)C)=O)CC(O)CCC)[C@H](O)C)CC3=CC=C(O)C=C3)CCC2)C(C)C)C(O)CO)[C@H](CC)C)C
Compound: Nidulal
SMILES: O=C1O[C@@]2(OC=C(C2=O)C3CCC(C=O)CC3)C=C1C
Compound: Anabaenopeptin 877a
SMILES: O=C1NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(NC1C(CC)C)=O)NC(=O)NC(C(=O)O)CCCN=C(N)N)CC2=CC=CC=C2)CC(=O)NC)CCC3=CC=CC=C3
Compound: CJ-14,897
SMILES: O=C(OC)C1=NC=C([C@H](O)[C@@H](OC(=O)C)C)C=C1
Compound: Heinamide B3
SMILES: O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)CC(C)C)=O)CCOC(=O)N)=O)C(O)C(C)C)=O)[C@@H](CC)C)=O)CCCCC)[C@H](O)C)CC3=CC=C(O)C=C3)CCC2)C(C)C)C(O)CO)[C@H](CC)C)C
Compound: Hydramycin
SMILES: O=C1C2=C3OC(=CC(C3=C(C)C=C2C(=O)C=4C1=C(O)C=CC4)=O)C(O)(C5OC5)CO
Compound: Napsamycin A
SMILES: S(CCC(NC(=O)NC(C(=O)O)CC1=CC(O)=CC=C1)C(=O)NC(C(=O)NC=C2OC(N3C(=O)NC(=O)C=C3)C(C2)O)C(N(C(=O)C4NCC=5C=CC(=CC5C4)O)C)C)C
Compound: Panglimycin B
SMILES: O=C1C2=C(C(O)=CC=C2)[C@@H](O)[C@@]3([C@H]1C=4C(=O)C[C@H](C)[C@H](C4C[C@@H]3O)O)O
Compound: Heinamide B4
SMILES: O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)CC(C)C)=O)CCOC(=O)N)=O)C(O)C(C)C)=O)[C@@H](CC)C)=O)CCCCC)[C@H](O)C)CC3=CC=C(O)C=C3)[C@@H](O)C(C2)C)C(C)C)C(O)CO)[C@H](CC)C)C
Compound: 3-ketotauranin
SMILES: O=C1C(O)=C(C(=O)C=C1CO)C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCC(C3(C)C)=O)C
Compound: Anabaenopeptin 802
SMILES: O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CC=2C3=C(C=CC=C3)NC2)=O)C(CC)C)=O)NC(=O)NC(C(=O)O)C(C)C)CC4=CC=CC=C4)C)C
Compound: Napsamycin B
SMILES: S(CCC(NC(=O)NC(C(=O)O)CC1=CC(O)=CC=C1)C(=O)NC(C(=O)NC=C2OC(N3C(=O)NC(=O)C=C3)C(C2)O)C(N(C(=O)C4NC(C=5C=CC(=CC5C4)O)C)C)C)C
Compound: Okicenone
SMILES: O=C1C2=C(O)C=3C(=CC(O)=CC3C)C=C2[C@H](O)CC1
Compound: 15G256ν
SMILES: O=C(O[C@@H](CC(=O)O)C)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](O)C)C
Compound: Heinamide B5
SMILES: O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)CC(C)C)=O)CCOC(=O)N)=O)C(O)C(C)C)=O)[C@@H](CC)C)=O)CC(O)CCC)[C@H](O)C)CC3=CC=C(O)C=C3)CC(C2)C)C(C)C)C(O)CO)[C@H](CC)C)C
Compound: Cyanopeptolin 1025
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C2N(C(=O)CC)CCC2)CCC(=O)N)C(=O)NC(C(=O)NC3CCC(N(C(C(N(C(C(NC1CC(C)C)=O)CC4=CC=C(OC)C=C4)C)=O)CC(C)C)C3=O)O)CC(C)C)C
Compound: A-500359 A
SMILES: O=C1N[C@@H](CCC[C@@H]1NC(=O)C=2O[C@H](O[C@@H](C(=O)N)[C@H]3O[C@@H](N4C(=O)NC(=O)C=C4)[C@@H]([C@@H]3OC)O)[C@@H](O)[C@H](C2)O)C
Compound: Tryptoquivaline P
SMILES: O=C1N(C=NC2=C1C=CC=C2)C(C(=O)OC)C[C@]3(O)C4=C(C=CC=C4)N5[C@H]3NC(C)(C)C5=O
Compound: Phosmidosine B
SMILES: P(=O)(OC[C@H]1O[C@@H](N2C(=O)NC=3C2=NC=NC3N)[C@@H]([C@@H]1O)O)(O)NC(=O)[C@H]4NCCC4
Compound: Guanipiperazine A
SMILES: O=C1NC(=NC2=C1NC(C3=C(O)C=4OC5=CC=C(C[C@H]6CN[C@@H](CC(=C3)C4)CN6)C=C5)=N2)N
Compound: MM 55268
SMILES: ClC1=C(O)C=C2OC3=C(O)C=CC(=C3)[C@@H](NC)C(N[C@H]4C(N[C@H](C1=C2)C(=O)N[C@H]5C(=O)N[C@@H]6C(=O)N[C@H](C(=O)NC(C(=O)O)C=7C(C8=CC6=CC(Cl)=C8O[C@@H]9O[C@H]([C@H](O)[C@H]([C@H]9O)O)CO)=C(O)C=C(O)C7)[C@@H](O[C@@H]%10O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]%10NC(=O)CCCCCCCCC)O)C%11=CC(=C(OC=%12C=C5C=C(OC%13=C(C=C([C@H]4O)C=C%13)Cl)C%12O[C@@H]%14O[C@H]([C@H](O)[C@H]([C@H]%14O)O)CO)C(Cl)=C%11)Cl)=O)=O
Compound: Cyanopeptolin 1011
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C2N(C(=O)C)CCC2)CCC(=O)N)C(=O)NC(C(=O)NC3CCC(N(C(C(N(C(C(NC1CC(C)C)=O)CC4=CC=C(OC)C=C4)C)=O)CC(C)C)C3=O)O)CC(C)C)C
Compound: A-500359 C
SMILES: O=C1N[C@@H](CCC[C@@H]1NC(=O)C=2O[C@H](O[C@@H](C(=O)N)[C@H]3O[C@@H](N4C(=O)NC(=O)C=C4)[C@@H]([C@@H]3O)O)[C@@H](O)[C@H](C2)O)C
Compound: Guanipiperazine B
SMILES: O=C1NC(=NC2=C1NC(OC3=C4OC5=CC=C(C[C@H]6CN[C@@H](CC(=C4)C=C3)CN6)C=C5)=N2)N
Compound: Pullularin E
SMILES: O=C1OC(C(=O)N2[C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H](C(N([C@H]1C)C)=O)CC3=CC=C(OCCC(=C)C)C=C3)=O)[C@H](CC)C)C)C)CCC2)CC4=CC=CC=C4
Compound: MM 55266
SMILES: ClC1=C(O)C=C2OC3=C(O)C=CC(=C3)[C@H](NC)C(N[C@@H]4C(N[C@@H](C1=C2)C(=O)N[C@@H]5C(=O)N[C@H]6C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C=7C(C8=CC6=CC(Cl)=C8O[C@H]9O[C@@H]([C@H](O)[C@H]([C@H]9O)O)CO)=C(O)C=C(O)C7)[C@H](O[C@@H]%10O[C@@H](C(=O)O)[C@H](O)[C@H]([C@H]%10NC(=O)CCCCCC(C)C)O)C%11=CC(=C(OC=%12C=C5C=C(OC%13=C(C=C([C@H]4O)C=C%13)Cl)C%12O[C@H]%14O[C@H]([C@H](O)[C@H]([C@H]%14O)O)CO)C(Cl)=C%11)Cl)=O)=O
Compound: Chondrosterin D
SMILES: O=C1C=2C(=O)[C@H]3CC(=O)[C@@H]([C@]3(C2CC1(C)C)C)C
Compound: Anabaenopeptin 788
SMILES: O=C1N([C@@H](C(=O)N[C@@H](C(=O)NCCCC[C@H](C(N[C@@H](C(N[C@@H]1CC=2C3=C(C=CC=C3)NC2)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)C(C)C)CC4=CC=CC=C4)C)C
Compound: Leptosphaerin E
SMILES: O=C1C2=C(OC3=C1C(=CC(=C3)C)CO)C=C(O)C=C2O
Compound: Cyanopeptolin 997 A
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C2N(C(=O)C)CCC2)CCC(=O)N)C(=O)NC(C(=O)NC3CCC(N(C(C(N(C(C(NC1CC(C)C)=O)CC4=CC=C(O)C=C4)C)=O)CC(C)C)C3=O)O)CC(C)C)C
Compound: A-500359 D
SMILES: O=C1N[C@@H](CCC[C@@H]1NC(=O)C=2O[C@H](O[C@@H](C(=O)N)[C@H]3O[C@@H](N4C(=O)NC(=O)C=C4)[C@@H]([C@@H]3OC)O)C[C@H](C2)O)C
Compound: Vibralactone F
SMILES: O=C(O)[C@@]1(C=C(CO)C[C@H]1O)CC=C(C)C
Compound: Streptenol C
SMILES: O=C(/C=C/C=C/C)C[C@@H](O)CCO
Compound: Anabenopeptin 802a
SMILES: O=C1N([C@@H](C(=O)N[C@@H](C(=O)NCCCC[C@H](C(N[C@@H](C(N[C@@H]1CC=2C3=C(C=CC=C3)NC2)=O)C(CC)C)=O)NC(=O)N[C@H](C(=O)O)C(C)C)CC4=CC=CC=C4)C)C
Compound: Cyanopeptolin 997 B
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C2N(C(=O)C)CCC2)CCC(=O)N)C(=O)NC(C(=O)NC3CCC(N(C(C(N(C(C(NC1CC(C)C)=O)CC4=CC=C(OC)C=C4)C)=O)C(C)C)C3=O)O)CC(C)C)C
Compound: Conhypoprotocetraric acid
SMILES: O=C1OC2=C(C(=C(C(=O)O)C(=C2CO)O)C)OC3=C1C(=CC(=C3C)O)C
Compound: A-500359 G
SMILES: O=C1NCCCC[C@@H]1NC(=O)C=2O[C@H](O[C@@H](C(=O)N)[C@H]3O[C@@H](N4C(=O)NC(=O)C=C4)[C@@H]([C@@H]3O)O)[C@@H](O)[C@H](C2)O
Compound: Anabenopeptin 802b
SMILES: O=C1N([C@@H](C(=O)N[C@@H](C(=O)NCCCC[C@H](C(N[C@@H](C(N[C@@H]1CC=2C3=C(C=CC=C3)NC2)=O)CC(C)C)=O)NC(=O)N[C@H](C(=O)O)C(C)C)CC4=CC=CC=C4)C)C
Compound: Murayaquinone
SMILES: O=C1C(=O)C2=C(O)C=CC=C2C=3C1=C(O)C(=C(C(=O)CCC)C3)C
Compound: Streptenol B
SMILES: O[C@H](C[C@@H](O)CC/C=C/C)CCO
Compound: Cyanopeptolin 997 C
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C2N(C(=O)C)CCC2)CCC(=O)N)C(=O)NC(C(=O)NC3CCC(N(C(C(N(C(C(NC1C(C)C)=O)CC4=CC=C(OC)C=C4)C)=O)CC(C)C)C3=O)O)CC(C)C)C
Compound: Anabaenopeptin 816
SMILES: O=C1N([C@@H](C(=O)N[C@@H](C(=O)NCCCC[C@H](C(N[C@@H](C(N[C@@H]1CC=2C3=C(C=CC=C3)NC2)=O)CC(C)C)=O)NC(=O)N[C@H](C(=O)O)CC(C)C)CC4=CC=CC=C4)C)C
Compound: (1RS,6RS,10RS)-6,10-dimethylbicyclo[4.4.0]decan-3-one
SMILES: O=C1C[C@H]2[C@@](CCC[C@H]2C)(C)CC1
Compound: Aldgamycin E
SMILES: O=C1OC(C(C2OC2CCC(=O)C(CC(C(C(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: Dehydrosinefungin V
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N)CC[C@H](N)C=C1O[C@@H](N2C3=NC=NC(=C3N=C2)N)[C@@H]([C@@H]1O)O)C(C)C
Compound: Loseolamycin A1
SMILES: OC1=CC(O)=CC(=C1)CCCCCCCCCCCCC(O)(C)C
Compound: Arabenoic acid
SMILES: O=C(O)/C=C(/OC)\CCO
Compound: (Z)-2-(7-oxooctyl)-pent-2-enedioic acid
SMILES: O=C(O)/C(=C\CC(=O)O)/CCCCCCC(=O)C
Compound: Cyanopeptolin 983
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C2N(C(=O)C)CCC2)CCC(=O)N)C(=O)NC(C(=O)NC3CCC(N(C(C(N(C(C(NC1C(C)C)=O)CC4=CC=C(OC)C=C4)C)=O)C(C)C)C3=O)O)CC(C)C)C
Compound: Griselimycin
SMILES: O=C1N([C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)NCC(=O)OC([C@@H](C(N[C@H](C(N3[C@H](C(N[C@H]1CC(C)C)=O)C[C@@H](C)C3)=O)CC(C)C)=O)N(C(=O)[C@H]4N(C(=O)[C@@H](N(C(=O)C)C)C(C)C)C[C@@H](C4)C)C)C)CC(C)C)C)CCC2)C(C)C)C
Compound: Loseolamycin A2
SMILES: OC1=CC(O)=CC(=C1)CCCCCCCCCCCCC[C@@H](O)C
Compound: Clearanol A
SMILES: O=C1OC(=C(CO)C(=C1)OC)C(=C)[C@H](O)C
Compound: Pannorin
SMILES: O=C1OC=2C3=C(O)C=C(O)C=C3C=C(C2C(=C1)O)C
Compound: N-methylwelwitinsolinone C isonitrile
SMILES: ClC1=C[C@H]2C(=O)[C@]([C@@]1(C=C)C)([N+]#[C-])C3=C4C(=CC=C3)N(C([C@@H]4C2(C)C)=O)C
Compound: Stieleriacine B2
SMILES: O=C(O)/C(/NC(=O)CCCCCCCCCCC)=C\C1=CC(=C(O)C=C1)C
Compound: abscisic aldehyde
SMILES: C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C\C=O
Compound: Cyanopeptolin 1001
SMILES: ClOC1=CC=C(CC2N(C(=O)C(N3C(=O)C(NC(=O)C(CC(C)C)NC(C(C(OC(C(NC2=O)CC(C)C)=O)C)NC(=O)C(NC(=O)C4N(CC=C4)C)CCC(=O)N)=O)CCC3O)CC(C)C)C)C=C1