| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:53 UTC |
|---|
| Update Date | 2025-03-21 18:00:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00026406 |
|---|
| Frequency | 233.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H15NO8 |
|---|
| Molecular Mass | 337.0798 |
|---|
| SMILES | O=C(O)C1OC(Oc2cc(O)c3ccccc3n2)C(O)C(O)C1O |
|---|
| InChI Key | SMZXCZNNSPJNTC-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 | 2-halopyridinesacetalsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidsquinolones and derivativessecondary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidpolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholquinolonepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclemonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
|---|
