| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:22:42 UTC |
|---|
| Update Date | 2025-03-21 20:54:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00396842 |
|---|
| Frequency | 4.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O3 |
|---|
| Molecular Mass | 130.063 |
|---|
| SMILES | COC(=O)C(C)(C)C=O |
|---|
| InChI Key | XFKYUMYFILZJGG-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 acyclic compounds |
|---|
| Alternative Parents | aldehydeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundaldehydehydrocarbon derivativeorganooxygen compound |
|---|
