| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:28 UTC |
|---|
| Update Date | 2025-03-21 18:38:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00121079 |
|---|
| Frequency | 21.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7NO3 |
|---|
| Molecular Mass | 165.0426 |
|---|
| SMILES | Nc1cccc(C(=O)C(=O)O)c1 |
|---|
| InChI Key | GOJCTMMNVLYHEI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoyl derivatives |
|---|
| Direct Parent | benzoyl derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha-keto acids and derivativesamino acidsaryl ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary amines |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
|---|
