| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:49 UTC |
|---|
| Update Date | 2025-03-25 00:51:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02187215 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O7 |
|---|
| Molecular Mass | 232.0583 |
|---|
| SMILES | CC(=O)OC1(C(=O)O)CC(=O)C(O)C(O)C1 |
|---|
| InChI Key | GHHXVFVLBZPSGI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolscarboxylic acid esterscarboxylic acidscyclic ketonescyclitols and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidcyclitol or derivativescyclic ketonecyclic alcoholketoneorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound1,2-diol |
|---|
