| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:58 UTC |
|---|
| Update Date | 2025-03-21 18:03:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00045692 |
|---|
| Frequency | 73.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O8 |
|---|
| Molecular Mass | 248.0532 |
|---|
| SMILES | O=C(O)CCC(=O)OC(CCC(=O)O)C(=O)O |
|---|
| InChI Key | CBNQQKLZVQQAON-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tetracarboxylic acids and derivatives |
|---|
| Direct Parent | tetracarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxides |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtetracarboxylic acid or derivativesfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
