| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:35 UTC |
|---|
| Update Date | 2025-03-21 18:03:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042298 |
|---|
| Frequency | 80.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O2 |
|---|
| Molecular Mass | 148.0524 |
|---|
| SMILES | C=CC(=O)Oc1ccccc1 |
|---|
| InChI Key | WRAQQYDMVSCOTE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol esters |
|---|
| Subclass | phenol esters |
|---|
| Direct Parent | phenol esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | enoate estermonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
