| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:59 UTC |
|---|
| Update Date | 2025-03-21 18:39:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00124583 |
|---|
| Frequency | 20.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O3 |
|---|
| Molecular Mass | 180.0786 |
|---|
| SMILES | O=C(CCc1ccccc1)OCO |
|---|
| InChI Key | CWHSRIDTDRFEHT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acid esters |
|---|
| Direct Parent | fatty acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhemiacetalhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
