| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:55 UTC |
|---|
| Update Date | 2025-03-25 00:51:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02187483 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O4 |
|---|
| Molecular Mass | 172.0736 |
|---|
| SMILES | CC(C)C=CC(O)C(=O)C(=O)O |
|---|
| InChI Key | SVOUOOKLSXIJOC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | medium-chain keto acids and derivatives |
|---|
| Direct Parent | medium-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acyloinsalpha-hydroxy ketonesalpha-keto acids and derivativesbeta hydroxy acids and derivativesbranched fatty acidscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidealpha-keto acidhydroxy fatty acidalcoholhydroxy acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
|---|
