| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:37 UTC |
|---|
| Update Date | 2025-03-21 18:39:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00126140 |
|---|
| Frequency | 20.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O5 |
|---|
| Molecular Mass | 266.1154 |
|---|
| SMILES | COC(=O)c1ccccc1C(=O)OCC(C)(C)CO |
|---|
| InChI Key | MGMASQLWUIWCLP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alcohols and polyolsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxides |
|---|
| Substituents | alcoholbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
