| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:01:22 UTC |
|---|
| Update Date | 2025-03-21 18:06:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00065385 |
|---|
| Frequency | 46.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H8N2O3 |
|---|
| Molecular Mass | 204.0535 |
|---|
| SMILES | N#Cc1ccc(C(=O)NCC(=O)O)cc1 |
|---|
| InChI Key | QWURZCQBKCZXAK-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 acidsbenzonitrilesbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupnitrilecarboxylic acidbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrilehippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinebenzonitrilearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
