| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:01 UTC |
|---|
| Update Date | 2025-03-21 18:28:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00071773 |
|---|
| Frequency | 41.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O2 |
|---|
| Molecular Mass | 176.0837 |
|---|
| SMILES | CC=C(C(=O)OC)c1ccccc1 |
|---|
| InChI Key | CQTRCIZQRVOJME-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 compoundsenoate estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | enoate estermonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
