| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:37:47 UTC |
|---|
| Update Date | 2025-03-21 21:53:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00432986 |
|---|
| Frequency | 4.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O2 |
|---|
| Molecular Mass | 138.0681 |
|---|
| SMILES | COC(=O)C1=CCC=CC1 |
|---|
| InChI Key | MQVGWLAOVAXSOP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | enoate esters |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | enoate estercarbonyl grouporganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
