| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:40:19 UTC |
|---|
| Update Date | 2025-03-21 17:58:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00016094 |
|---|
| Frequency | 267.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O3 |
|---|
| Molecular Mass | 178.063 |
|---|
| SMILES | COC(=O)C(=O)Cc1ccccc1 |
|---|
| InChI Key | KAOSFPBSWNREAY-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 | alpha-keto acids and derivativesfatty acid estershydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | fatty acylcarbonyl groupphenylpyruvatecarboxylic acid derivativeketonearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundketo acidcarboxylic acid esteralpha-keto acidhydrocarbon derivativeorganooxygen compound |
|---|
