| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:59:38 UTC |
|---|
| Update Date | 2025-03-21 18:06:08 UTC |
|---|
| HMDB ID | HMDB0246035 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00061331 |
|---|
| Name | 3,4-Dimethylhippuric acid |
|---|
| Frequency | 57.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13NO3 |
|---|
| Molecular Mass | 207.0895 |
|---|
| SMILES | Cc1ccc(C(=O)NCC(=O)O)cc1C |
|---|
| InChI Key | ZDHXVMSVUHHHAE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | acyl glycines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amideso-xylenes |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzamidexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativeso-xyleneorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
