| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:10 UTC |
|---|
| Update Date | 2025-03-21 18:38:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00122743 |
|---|
| Frequency | 21.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H8O5 |
|---|
| Molecular Mass | 208.0372 |
|---|
| SMILES | O=C(O)CC(=O)c1cccc(C(=O)O)c1 |
|---|
| InChI Key | UUOHQEXVGLKZTN-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 derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenylpropanoic acids |
|---|
| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoylbenzoic acid or derivativescarboxylic acid derivativebeta-keto acidaromatic homomonocyclic compoundorganic oxideketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidbenzoic acidalkyl-phenylketone |
|---|
