| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:40 UTC |
|---|
| Update Date | 2025-03-21 18:05:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00054269 |
|---|
| Frequency | 59.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H15NO8 |
|---|
| Molecular Mass | 337.0798 |
|---|
| SMILES | O=C(O)C1OC(O)C(Oc2ccc3cccc(O)c3n2)C(O)C1O |
|---|
| InChI Key | DADPGWXWVHAVLY-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 heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridines8-hydroxyquinolinesalkyl aryl ethersazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidsquinolones and derivativessecondary alcohols |
|---|
| Substituents | carbonyl groupethercarboxylic acidglucuronic acid or derivativespolyhalopyridine1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundhemiacetal2-halopyridineoxaneorganoheterocyclic compound1,2-diolalcoholquinolonepyran carboxylic acid or derivatives8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridinehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
|---|
