| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:43 UTC |
|---|
| Update Date | 2025-03-21 18:02:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00037885 |
|---|
| Frequency | 92.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O4 |
|---|
| Molecular Mass | 194.0579 |
|---|
| SMILES | COc1cccc(C(=O)CC(=O)O)c1 |
|---|
| InChI Key | JOQVOMFQLAREKJ-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 | alkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acids |
|---|
| Substituents | beta-hydroxy ketonephenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoylalkyl aryl ethercarboxylic acid derivativebeta-keto acidorganic oxidemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesanisoleketo acidhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
|---|
