| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:24 UTC |
|---|
| Update Date | 2025-03-21 18:01:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00034689 |
|---|
| Frequency | 103.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14NO5+ |
|---|
| Molecular Mass | 240.0866 |
|---|
| SMILES | O=Cc1ccc[n+](C2OC(CO)C(O)C2O)c1 |
|---|
| InChI Key | TXOUJANDPINNQX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridinecarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyridine carboxaldehydessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | pyridine carboxylic acid or derivatives3-pyridine carboxaldehydearomatic heteromonocyclic compoundmonosaccharidesaccharideorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinealdehydeoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
