| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:26 UTC |
|---|
| Update Date | 2025-03-21 18:05:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00058448 |
|---|
| Frequency | 54.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H14O9 |
|---|
| Molecular Mass | 314.0638 |
|---|
| SMILES | O=C(O)c1ccc(OC2C(O)OC(C(=O)O)C(O)C2O)cc1 |
|---|
| InChI Key | KNHLADZDVCNOFY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | glucuronic acid derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalkyl aryl ethersbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidehemiacetalbenzoic acidoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
|---|
