| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:20 UTC |
|---|
| Update Date | 2025-03-21 18:28:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00074935 |
|---|
| Frequency | 39.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H6O3 |
|---|
| Molecular Mass | 102.0317 |
|---|
| SMILES | COC=CC(=O)O |
|---|
| InChI Key | VFUQDUGKYYDRMT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | vinylogous esters |
|---|
| Subclass | vinylogous esters |
|---|
| Direct Parent | vinylogous esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativescarboxylic acidorganic oxygen compoundvinylogous esterhydrocarbon derivativecarboxylic acid derivativeorganooxygen compound |
|---|
