| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:39:59 UTC |
|---|
| Update Date | 2025-03-21 17:58:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00015398 |
|---|
| Frequency | 282.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O3 |
|---|
| Molecular Mass | 192.0786 |
|---|
| SMILES | O=C(O)CCCC(=O)c1ccccc1 |
|---|
| InChI Key | SHKWSBAVRQZYLE-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 derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylfatty acidcarboxylic acid derivativebutyrophenonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidbenzenoidalkyl-phenylketone |
|---|
