| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:45 UTC |
|---|
| Update Date | 2025-03-21 18:35:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00104841 |
|---|
| Frequency | 25.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O3 |
|---|
| Molecular Mass | 220.1099 |
|---|
| SMILES | CC(C)Cc1ccc(CC(=O)C(=O)O)cc1 |
|---|
| InChI Key | LWHNSIBBYYTBIN-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-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanesphenylpropanoic acids |
|---|
| Substituents | carbonyl groupcarboxylic acidphenylpyruvate3-phenylpropanoic-acidalpha-hydroxy ketonecarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativeorganooxygen compound |
|---|
