Metabolite Structure Search
Draw or enter SMILES to search VMH metabolites using exact, substructure, or similarity matching.
Loading structure editor...
Examples:
Search Options
Search Mode?Choose how the query structure is matched against the VMH metabolite database.
Matches metabolites with an identical structure via InChIKey, falling back to canonical SMILES comparison.Finds metabolites whose structure contains the drawn fragment using RDKit subgraph (SubstructLibrary) matching.Ranks metabolites by Tanimoto similarity using Morgan fingerprints (radius=2, 2048 bits).
Max ResultsMaximum number of metabolite hits to return.20
5200