| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:50:53 UTC |
|---|
| Update Date | 2025-03-21 18:51:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00183382 |
|---|
| Frequency | 12.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O2 |
|---|
| Molecular Mass | 128.0837 |
|---|
| SMILES | CC(=O)OC=CC(C)C |
|---|
| InChI Key | NGZGSCYFSOQDPU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | enol esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeenol esterorganooxygen compound |
|---|
