| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:19 UTC |
|---|
| Update Date | 2025-03-25 00:53:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02199680 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O6 |
|---|
| Molecular Mass | 252.0634 |
|---|
| SMILES | COC(=O)c1ccccc1C(=O)CC(O)C(=O)O |
|---|
| InChI Key | YRYKVRGNXONADE-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 | alpha hydroxy acids and derivativesaryl alkyl ketonesbenzoic acid estersbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesmethyl estersorganic oxidessecondary alcohols |
|---|
| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketonealpha-hydroxy acidbenzoylbenzoate estercarboxylic acid derivativeorganic oxidemethyl esteralcoholbenzoic acid or derivativeshydroxy acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
