Cluster scaffolds:

OH OH O NH O OH

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
vanchrobactin 0 0.57 0.6 0.69 0.0 Glyco:0/3 * Cl:0/1 MIBiG Source NC(N)=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(=O)O view vanchrobactin H2N NH2 N NH O OH OH O NH OH O OH
Obafluorin 1 0.55 0.54 0.7 0.0 Glyco:0/3 * Cl:0/1 MIBiG Source O=C(N[C@@H]1C(=O)O[C@@H]1Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1O view Obafluorin O NH O O N+ O O- HO HO
6-methylsalicyclic acid 2 0.54 0.53 0.69 0.0 Glyco:0/3 * Cl:0/1 MIBiG Source Cc1cccc(O)c1C(=O)O view 6-methylsalicyclic acid OH O OH
myxochelin A 3 0.54 0.55 0.67 0.0 Glyco:0/3 * Cl:0/1 MIBiG Source O=C(NCCCC[C@@H](CO)NC(=O)c1cccc(O)c1O)c1cccc(O)c1O view myxochelin A O NH HO NH O OH HO HO OH
myxochelin B 4 0.54 0.55 0.67 0.0 Glyco:0/3 * Cl:0/1 MIBiG Source NC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O view myxochelin B H2N NH O OH OH NH O OH OH