| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:12:23 UTC |
|---|
| Update Date | 2025-03-21 18:32:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00091709 |
|---|
| Frequency | 30.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14NO8+ |
|---|
| Molecular Mass | 300.0714 |
|---|
| SMILES | O=C(O)c1ccc[n+](C2OC(C(=O)O)C(O)C(O)C2O)c1 |
|---|
| InChI Key | TXNOTDMTVRXVCG-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | n-glucuronides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyridine-3-carboxylic acidssecondary alcoholsvinylogous amides |
|---|
| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidn-glucuronidebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxaneorganoheterocyclic compoundalcoholvinylogous amidepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclepyridinepyranpyridine carboxylic acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
|---|
