Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:16:29 UTC |
---|
Update Date | 2025-03-21 18:34:37 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00101701 |
---|
Frequency | 26.8 |
---|
Structure | |
---|
Chemical Formula | C11H16O11 |
---|
Molecular Mass | 324.0693 |
---|
SMILES | O=C1OC(COC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O |
---|
InChI Key | COQQPMSMKVEEGD-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstetrahydrofurans |
---|
Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidgamma butyrolactoneoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
---|