| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 07:25:32 UTC |
|---|
| Update Date | 2025-03-24 20:03:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01119342 |
|---|
| Frequency | 1.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O3 |
|---|
| Molecular Mass | 144.0786 |
|---|
| SMILES | C=CC(O)CC(=O)OCC |
|---|
| InChI Key | QTFCTAJBDSTPSR-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 | carbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativefatty acid esterbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
