Cluster scaffolds:

NH2 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
Xenocyloin A 0 0.57 0.53 0.75 0.0 Glyco:0/1 * NO2:0/1 MIBiG Source CC(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12 view Xenocyloin A O OH NH
Xenocyloin B 1 0.56 0.53 0.73 0.0 Glyco:0/1 * NO2:0/1 MIBiG Source CCC(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12 view Xenocyloin B O OH NH
azaspirene 2 0.54 0.51 0.69 0.0 Glyco:0/1 * NO2:0/1 MIBiG Source CC/C=C/C=C/C1=C(C)C(=O)C2(O1)C(=O)N[C@@](O)(Cc1ccccc1)[C@@H]2O view azaspirene O O O NH OH OH
Xenortide C 3 0.46 0.51 0.53 0.0 Glyco:0/1 * NO2:0/1 MIBiG Source CN[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C(C)C view Xenortide C NH O N O NH
Benzylpenicillin 4 0.43 0.54 0.46 0.0 Glyco:0/1 * NO2:0/1 MIBiG Source CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+] view Benzylpenicillin S NH O O N O O- Na+ H