| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:37 UTC |
|---|
| Update Date | 2025-03-21 18:04:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00051893 |
|---|
| Frequency | 62.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O6 |
|---|
| Molecular Mass | 204.0634 |
|---|
| SMILES | CC(C)C(=O)OC(CC(=O)O)C(=O)O |
|---|
| InChI Key | CWEMVHMOLPZSHO-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 acid esterscarboxylic acidshydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidecarboxylic acidorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativetricarboxylic acid or derivativesorganooxygen compound |
|---|
