| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:14 UTC |
|---|
| Update Date | 2025-03-25 00:50:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183574 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12NO6+ |
|---|
| Molecular Mass | 242.0659 |
|---|
| SMILES | O=C(O)c1cc[n+](C2OC(O)C(O)C2O)cc1 |
|---|
| InChI Key | JFPMBAYWFWMKDW-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridinecarboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsazacyclic compoundscarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | carboxylic acidaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetalorganic cation1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
