| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:47 UTC |
|---|
| Update Date | 2025-03-21 18:35:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00107368 |
|---|
| Frequency | 25.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17NO10 |
|---|
| Molecular Mass | 359.0852 |
|---|
| SMILES | Cc1ncc(COC2OC(C(=O)O)C(O)C(O)C2O)c(C(=O)O)c1O |
|---|
| InChI Key | FBXLJTIFJSJEEF-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 | 1-carboxy-2-haloaromatic compounds2-halopyridinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidspyridinecarboxylic acidssecondary alcoholsvinylogous acids |
|---|
| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclevinylogous acidpyridinepyransecondary alcoholpyridine carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
|---|
