| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:34:26 UTC |
|---|
| Update Date | 2025-03-21 17:56:36 UTC |
|---|
| HMDB ID | HMDB0125471 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002484 |
|---|
| Name | 3,4,5-trihydroxy-6-(3-hydroxyphenoxy)oxane-2-carboxylic acid |
|---|
| Frequency | 2440.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O8 |
|---|
| Molecular Mass | 286.0689 |
|---|
| SMILES | O=C(O)C1OC(Oc2cccc(O)c2)C(O)C(O)C1O |
|---|
| InChI Key | QBFLNEGRIWWRPZ-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 | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
|---|
