| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:00 UTC |
|---|
| Update Date | 2025-03-25 00:47:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162422 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O8 |
|---|
| Molecular Mass | 260.0532 |
|---|
| SMILES | O=C(O)CC(=O)OC1C=C(C(=O)O)CC(O)C1O |
|---|
| InChI Key | LNDOURJROAGXPS-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 homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidcyclitol or derivativestricarboxylic acid or derivativesorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound1,2-diol |
|---|
