| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:23 UTC |
|---|
| Update Date | 2025-03-21 18:28:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00075057 |
|---|
| Frequency | 39.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H14O4 |
|---|
| Molecular Mass | 234.0892 |
|---|
| SMILES | Cc1ccc(C)c(C(=O)CC(=O)C(=O)O)c1C |
|---|
| InChI Key | JGPKOJXSHAKDHX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylalpha-hydroxy ketonecarboxylic acid derivativegamma-keto acidbutyrophenonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesketo acidalpha-keto acidhydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
