| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:50 UTC |
|---|
| Update Date | 2025-03-21 18:41:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00133705 |
|---|
| Frequency | 18.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7NO4 |
|---|
| Molecular Mass | 181.0375 |
|---|
| SMILES | O=C(O)C(=O)CC(=O)c1ccc[nH]1 |
|---|
| InChI Key | XWHPSCYENWVGGP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | gamma-keto acids and derivatives |
|---|
| Direct Parent | gamma-keto acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha-hydroxy ketonecarboxylic acid derivativegamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrroleorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundaryl ketone |
|---|
