| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:54:35 UTC |
|---|
| Update Date | 2025-03-21 18:04:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00049548 |
|---|
| Frequency | 66.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16NO7+ |
|---|
| Molecular Mass | 286.0921 |
|---|
| SMILES | O=C(O)C(O)c1ccc[n+](C2OC(CO)C(O)C2O)c1 |
|---|
| InChI Key | WTHSBEWGZNRONC-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | hydroxypyridines |
|---|
| Direct Parent | hydroxypyridines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
|---|
| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
