Cluster scaffolds:

NH2 O H2N O NH NH O NH O OH O OH

1

NH2 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
Sevadicin 2 0.55 0.6 0.65 0.0 Cl:0/1 MIBiG Source CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O view Sevadicin NH O NH2 O NH NH O OH
streptide 3 0.52 0.52 0.64 0.0 Cl:0/1 MIBiG Source CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1Cc2c[nH]c3c(cccc23)[C@H](CCCN)[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N1)C(C)C)C(=O)O view streptide S NH O NH O NH2 NH O NH H2N NH O H2N O NH O NH O OH O NH O NH O OH
pacidamycin D 4 0.44 0.54 0.48 0.0 Cl:0/1 MIBiG Source C[C@H](N)C(=O)N(C)[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)N/C=C1/C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1 view pacidamycin D H2N O N NH O NH O NH NH O HO O NH OH N O NH O O
brevianamide F 0 0.61 0.57 0.79 0.0 Cl:0/1 MIBiG Source O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12 view brevianamide F O NH NH O N H
terezine D 1 0.56 0.52 0.74 0.0 Cl:0/1 MIBiG Source CC(C)=CCc1cccc2c(C[C@@H]3NC(=O)[C@H](C)NC3=O)c[nH]c12 view terezine D NH O NH O NH