| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:03 UTC |
|---|
| Update Date | 2025-03-21 17:59:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00019878 |
|---|
| Frequency | 204.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H20O10 |
|---|
| Molecular Mass | 360.1056 |
|---|
| SMILES | COc1ccc(C(O)CO)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | XJRHRQZCVFQESK-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 | acetalsalkyl aryl ethersanisolesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
|---|
