| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:12 UTC |
|---|
| Update Date | 2025-03-21 18:33:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00098540 |
|---|
| Frequency | 27.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O3 |
|---|
| Molecular Mass | 206.0943 |
|---|
| SMILES | CCCCC(=O)c1ccccc1C(=O)O |
|---|
| InChI Key | SWAMOIJQDQZLRX-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 | 1-carboxy-2-haloaromatic compoundsaryl alkyl ketonesbenzoic acidsbenzoyl derivativesbutyrophenoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoic acid or derivativescarboxylic acid derivativebutyrophenonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativeshydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidalkyl-phenylketone |
|---|
