| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:38 UTC |
|---|
| Update Date | 2025-03-21 17:57:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00005293 |
|---|
| Frequency | 1016.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O6 |
|---|
| Molecular Mass | 188.0321 |
|---|
| SMILES | O=C(O)C=C(CC(=O)O)CC(=O)O |
|---|
| InChI Key | YTAKKJBJAPXVPA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tricarboxylic acids and derivatives |
|---|
| Direct Parent | tricarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidecarboxylic acidorganic oxygen compoundhydrocarbon derivativetricarboxylic acid or derivativesorganooxygen compound |
|---|
