| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:30 UTC |
|---|
| Update Date | 2025-03-21 18:03:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044546 |
|---|
| Frequency | 75.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H6O4 |
|---|
| Molecular Mass | 118.0266 |
|---|
| SMILES | O=CC(CO)C(=O)O |
|---|
| InChI Key | WQTUKJUREVZUNL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholsshort-chain aldehydes |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupshort-chain aldehydecarboxylic acidaldehydecarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1,3-dicarbonyl compoundprimary alcoholorganooxygen compound |
|---|
