| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:17 UTC |
|---|
| Update Date | 2025-03-21 18:34:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00098745 |
|---|
| Frequency | 27.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O3 |
|---|
| Molecular Mass | 192.0786 |
|---|
| SMILES | Cc1ccccc1C(=O)CCC(=O)O |
|---|
| InChI Key | XESJRHLXEFHLPK-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 | aryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestoluenes |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylcarboxylic acid derivativegamma-keto acidbutyrophenonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidtoluenealkyl-phenylketone |
|---|
