| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:11:29 UTC |
|---|
| Update Date | 2025-03-21 18:32:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00089533 |
|---|
| Frequency | 31.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O5 |
|---|
| Molecular Mass | 224.0685 |
|---|
| SMILES | COc1cc(C(=O)CCC(=O)O)ccc1O |
|---|
| InChI Key | MITUCWWQUUFNNX-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-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidemethoxybenzenegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesanisoleketo acidphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
|---|
