Cluster scaffolds:

H2N NH

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
3-(Z-2´-isocyanoethenyl)-indole 0 0.73 0.72 0.92 0.0 Cl:0/1 MIBiG Source [C-]#[N+]/C=C\c1c[nH]c2ccccc12 view 3-(Z-2´-isocyanoethenyl)-indole C- N+ NH
Xenocyloin A 1 0.67 0.73 0.79 0.0 Cl:0/1 MIBiG Source CC(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12 view Xenocyloin A O OH NH
Xenocyloin B 2 0.65 0.7 0.77 0.0 Cl:0/1 MIBiG Source CCC(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12 view Xenocyloin B O OH NH
Xenocyloin C 3 0.62 0.67 0.74 0.0 Cl:0/1 MIBiG Source CC(=O)O[C@@H](Cc1c[nH]c2ccccc12)C(=O)C(C)C view Xenocyloin C O O NH O
Xenocyloin D 4 0.61 0.65 0.73 0.0 Cl:0/1 MIBiG Source CCC(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)OC(C)=O view Xenocyloin D O NH O O