| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:40:55 UTC |
|---|
| Update Date | 2025-03-21 17:58:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00017381 |
|---|
| Frequency | 251.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13NO3 |
|---|
| Molecular Mass | 207.0895 |
|---|
| SMILES | Cc1ccccc1C(=O)NC(C)C(=O)O |
|---|
| InChI Key | NHVAASARHSFWSJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | hippuric acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alanine and derivativesalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amideso-toluamides |
|---|
| Substituents | carbonyl groupcarboxylic acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativetoluamideorganic oxideo-toluamideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
|---|
