| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:57 UTC |
|---|
| Update Date | 2025-03-21 18:04:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00052675 |
|---|
| Frequency | 61.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H16O8 |
|---|
| Molecular Mass | 324.0845 |
|---|
| SMILES | O=C1CCc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc21 |
|---|
| InChI Key | YKBPLSRIQOGWBW-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 heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesindanonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | phenol ethercarbonyl groupcarboxylic acidaryl alkyl ketoneo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesindanonehydroxy acidoxacyclemonocarboxylic acid or derivativespyranindanesecondary alcoholhydrocarbon derivativebenzenoidaryl ketone |
|---|
