| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:44 UTC |
|---|
| Update Date | 2025-03-21 18:39:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00124032 |
|---|
| Frequency | 20.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O4 |
|---|
| Molecular Mass | 236.1049 |
|---|
| SMILES | CC(C)C(=O)OC(=O)C(CO)c1ccccc1 |
|---|
| InChI Key | IWJLADDTFALPGQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesprimary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary alcoholorganooxygen compound |
|---|
