Cluster scaffolds:

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

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
Serobactin A 0 0.74 0.62 0.77 1.0 Non detected. MIBiG Source CCCCCCCCCC(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)NC1CCCN(O)C1=O)C(C)O)C(O)C(=O)O)C(O)C(=O)O view Serobactin A O NH O NH HO O NH O NH O NH OH O NH N OH O OH OH O OH OH O HO
teixobactin 1 0.69 0.62 0.67 1.0 Non detected. MIBiG Source CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@H]2CN=C(N)N2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@@H](C)CC view teixobactin NH O NH O NH OH O NH NH2 O O NH O NH O NH OH O NH O NH O NH N NH2 NH O NH O O
Ambactin 2 0.66 0.65 0.58 1.0 Non detected. MIBiG Source CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC1=O view Ambactin NH O NH O NH2 O NH O OH NH O NH2 NH O NH O
syringomycin 3 0.62 0.64 0.52 1.0 Non detected. MIBiG Source C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)C[C@@H](O)CCCCCCCCC)COC(=O)[C@H]([C@H](O)CCl)NC(=O)[C@H]([C@H](O)C(=O)O)NC1=O view syringomycin NH O NH O N NH2 NH2 NH O H2N NH O NH2 NH O OH NH O NH O OH O O OH Cl NH O OH O OH NH O
Myxoprincomide-c506 4 0.59 0.73 0.39 1.0 Non detected. MIBiG Source CNC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCN)CC(=O)NC(C)C(=O)O)C(C)C)C(C)(C)O view Myxoprincomide-c506 NH OH O NH O NH O NH HO O NH O O NH OH O NH OH O NH NH2 O NH O OH HO