| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:04 UTC |
|---|
| Update Date | 2025-03-21 18:37:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00117798 |
|---|
| Frequency | 22.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O4 |
|---|
| Molecular Mass | 194.0579 |
|---|
| SMILES | CC(O)C(=O)c1ccccc1C(=O)O |
|---|
| InChI Key | RGDKKDVNAXLZCA-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 | 1-carboxy-2-haloaromatic compoundsacyloinsaryl alkyl ketonesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanessecondary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoic acid or derivativescarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesacyloinsecondary alcoholhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidalkyl-phenylketone |
|---|
