| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:10:28 UTC |
|---|
| Update Date | 2025-03-25 00:57:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02225435 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H14O5 |
|---|
| Molecular Mass | 250.0841 |
|---|
| SMILES | CC(=O)Oc1ccccc1C(=O)CC(C)C(=O)O |
|---|
| InChI Key | QTIHYOXDZRNITJ-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 derivativesbutyrophenonescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidesphenol estersphenoxy compounds |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylcarboxylic acid derivativegamma-keto acidbutyrophenonearomatic homomonocyclic compoundorganic oxideketo acidcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
|---|
