| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:10 UTC |
|---|
| Update Date | 2025-03-21 18:05:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00057842 |
|---|
| Frequency | 54.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O4 |
|---|
| Molecular Mass | 194.0579 |
|---|
| SMILES | Cc1cc(CC(=O)C(=O)O)ccc1O |
|---|
| InChI Key | XGHUYGNPJQJNPC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpyruvic acid derivatives |
|---|
| Direct Parent | phenylpyruvic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolsphenylpropanoic acidstoluenes |
|---|
| Substituents | carbonyl groupcarboxylic acidphenylpyruvate3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acido-cresolalpha-keto acidphenolhydrocarbon derivativetolueneorganooxygen compound |
|---|
