| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:28 UTC |
|---|
| Update Date | 2025-03-25 00:53:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02200040 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H16N2O10 |
|---|
| Molecular Mass | 384.0805 |
|---|
| SMILES | Cn1cc(C(=O)O)c(=O)c2c(OC3OC(C(=O)O)C(O)C(O)C3O)c[nH]c21 |
|---|
| InChI Key | ZGGXNFHRWQOSBA-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 compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidspyridine-3-carboxylic acidspyrrolespyrrolopyridinessecondary alcoholsvinylogous amidesvinylogous esters |
|---|
| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidpyridine-3-carboxylic acidpolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholvinylogous amidepyran carboxylic acid or derivativesazacyclepyrrolopyridinevinylogous esterheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclepyridinepyranpyrrolepyridine carboxylic acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
|---|
