| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:20 UTC |
|---|
| Update Date | 2025-03-21 18:28:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00074937 |
|---|
| Frequency | 39.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O3 |
|---|
| Molecular Mass | 220.1099 |
|---|
| SMILES | CC(C)C(=O)c1cccc(C(C)C(=O)O)c1 |
|---|
| InChI Key | QRXGHBLXUKJPTP-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 derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanesphenylpropanoic acids |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivatives2-phenylpropanoic-acidhydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
