| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:18:16 UTC |
|---|
| Update Date | 2025-03-25 01:00:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02243012 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N2O3 |
|---|
| Molecular Mass | 234.1004 |
|---|
| SMILES | C=C(C)Nc1ccc(C(=O)NCC(=O)O)cc1 |
|---|
| InChI Key | IRTGXQGSWSSDJG-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 acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylaminessecondary carboxylic acid amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhippuric acid or derivativesbenzoic acid or derivativessecondary aminecarboxamide groupn-acylglycinesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
