| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:28 UTC |
|---|
| Update Date | 2025-03-21 18:02:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00037293 |
|---|
| Frequency | 94.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O5 |
|---|
| Molecular Mass | 158.0215 |
|---|
| SMILES | O=C(O)CC=CC(=O)C(=O)O |
|---|
| InChI Key | QTHJXLFFFTVYJC-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 | acryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesenoneshydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
|---|
