| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:12:26 UTC |
|---|
| Update Date | 2025-03-21 18:32:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00091817 |
|---|
| Frequency | 30.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13NO8 |
|---|
| Molecular Mass | 299.0641 |
|---|
| SMILES | O=C(OC1OC(C(=O)O)C(O)C(O)C1O)c1ccccn1 |
|---|
| InChI Key | ZGZDFDKZBYTQFR-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 | 2-halopyridinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyridine-2-carboxylic acidssecondary alcohols |
|---|
| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxidepyridine-2-carboxylic acidacetalorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclepyridinepyrancarboxylic acid esterpyridine carboxylic acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
|---|
