| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:56:49 UTC |
|---|
| Update Date | 2025-03-21 18:05:05 UTC |
|---|
| HMDB ID | HMDB0128012 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00054637 |
|---|
| Name | 6-[4-(2-carboxyethyl)-2,6-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
|---|
| Frequency | 58.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H18O11 |
|---|
| Molecular Mass | 374.0849 |
|---|
| SMILES | O=C(O)CCc1cc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1 |
|---|
| InChI Key | YLUUJJFIPFXHKS-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 acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanoic acidspyran carboxylic acidsresorcinolssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidresorcinol1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclepyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
|---|
