| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:16:00 UTC |
|---|
| Update Date | 2025-03-21 20:51:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00380568 |
|---|
| Frequency | 4.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O3 |
|---|
| Molecular Mass | 142.063 |
|---|
| SMILES | COC(=O)C1C=CC(O)C1 |
|---|
| InChI Key | OBYKMHOYSJQYOQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | methyl esters |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholcarbonyl grouporganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
