| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:01 UTC |
|---|
| Update Date | 2025-03-21 18:03:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00043374 |
|---|
| Frequency | 78.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O11 |
|---|
| Molecular Mass | 308.038 |
|---|
| SMILES | O=C(O)CC(OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O |
|---|
| InChI Key | JUOHODCRMMBMIW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | pentacarboxylic acids and derivatives |
|---|
| Direct Parent | pentacarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidpentacarboxylic acid or derivativesfatty acid estertertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
