| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:28 UTC |
|---|
| Update Date | 2025-03-21 18:04:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00051574 |
|---|
| Frequency | 63.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O4 |
|---|
| Molecular Mass | 210.0892 |
|---|
| SMILES | COc1cccc(CC(CO)C(=O)O)c1 |
|---|
| InChI Key | QASGDBCWJSJTJH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsprimary alcohols |
|---|
| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidhydroxy acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidphenoxy compoundprimary alcoholorganooxygen compound |
|---|
