| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:58:21 UTC |
|---|
| Update Date | 2025-03-25 00:53:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02197421 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O5 |
|---|
| Molecular Mass | 172.0372 |
|---|
| SMILES | CC=CC(=O)C(=O)C(O)C(=O)O |
|---|
| InChI Key | YVXFZDKMLRZAAV-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 | 1,3-dicarbonyl compoundsacryloyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-diketonesalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty alcoholsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidefatty alcoholhydroxy fatty acidenonealcoholhydroxy acidalpha-diketonegamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeacryloyl-group1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
|---|
