| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:25 UTC |
|---|
| Update Date | 2025-03-21 18:03:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00046765 |
|---|
| Frequency | 71.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H20O11 |
|---|
| Molecular Mass | 352.1006 |
|---|
| SMILES | O=C(O)C1OC(OC2CCC(O)(C(=O)O)CC2O)C(O)C(O)C1O |
|---|
| InChI Key | XZEOZSZOYRNGIT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidstertiary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacycletertiary alcoholpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
|---|
