| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:48 UTC |
|---|
| Update Date | 2025-03-21 18:31:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00087954 |
|---|
| Frequency | 32.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O3 |
|---|
| Molecular Mass | 192.0786 |
|---|
| SMILES | CC(=O)OCCC(=O)c1ccccc1 |
|---|
| InChI Key | APFVFNSFBWLKPD-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 acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
