| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:02 UTC |
|---|
| Update Date | 2025-03-21 18:07:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00069422 |
|---|
| Frequency | 43.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H6O2 |
|---|
| Molecular Mass | 98.0368 |
|---|
| SMILES | C#CCOC(C)=O |
|---|
| InChI Key | RIZZXCJMFIGMON-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | carboxylic acid esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acetylidescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesacetylideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
