| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:04 UTC |
|---|
| Update Date | 2025-03-25 00:54:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02208276 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11ClO3 |
|---|
| Molecular Mass | 226.0397 |
|---|
| SMILES | CC(CC(=O)c1ccc(Cl)cc1)C(=O)O |
|---|
| InChI Key | GSFUBCGLEXRAJW-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 ketonesaryl chloridesbenzoyl derivativesbutyrophenonescarboxylic acidschlorobenzenesgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloridechlorobenzenearyl halidegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidhalobenzenealkyl-phenylketone |
|---|
