| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:35 UTC |
|---|
| Update Date | 2025-03-21 18:06:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00061214 |
|---|
| Frequency | 50.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O3 |
|---|
| Molecular Mass | 178.063 |
|---|
| SMILES | CCC(=O)c1cccc(C(=O)O)c1 |
|---|
| InChI Key | GJXGVUOQOFRNKR-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 ketonesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenylpropanes |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoic acid or derivativescarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidbenzoic acidalkyl-phenylketone |
|---|
