Cluster scaffolds:

NH2 NH O N O NH OH O NH O N O NH O NH O HO

1

O O OH

2

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
prenylagaramide B 0 0.75 0.63 0.78 1.0 Non detected. MIBiG Source CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OCC=C(C)C)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC1=O view prenylagaramide B NH O N O OH NH O NH O O NH O N O NH2 O NH O H H
nostamide A 1 0.68 0.61 0.66 1.0 Non detected. MIBiG Source CC[C@@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CCCCNC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)CN(C)C(=O)[C@H](CCc2ccccc2)NC1=O view nostamide A NH O NH O NH O OH NH O OH NH O N O NH O
anabaenopeptin NZ 857 2 0.68 0.6 0.66 1.0 Non detected. MIBiG Source CC[C@@H](C)[C@@H]1NC(=O)C(NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CCCCNC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)CN(C)C(=O)C(CCc2ccc(O)cc2)NC1=O view anabaenopeptin NZ 857 NH O NH O NH O OH NH O OH NH O N O HO NH O
anabaenopeptin 3 0.68 0.62 0.64 1.0 Non detected. MIBiG Source CC(C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)N(C)C1=O view anabaenopeptin NH O NH O NH N NH2 NH2 O OH NH O NH O N O HO N O
hormaomycin A5 4 0.66 0.59 0.63 1.0 Non detected. MIBiG Source C/C=C\[C@H]1C[C@H]2C(=O)O[C@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)n3O)C(=O)N[C@@H]([C@H](C)c3ccccc3)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@H](C)c3ccccc3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2C1 view hormaomycin A5 O O NH O NH O Cl N OH O NH O NH O NH O NH O N H