| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:27 UTC |
|---|
| Update Date | 2025-03-25 00:56:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218580 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18NO5+ |
|---|
| Molecular Mass | 256.1179 |
|---|
| SMILES | Cc1ccc(CO)c[n+]1C1OC(CO)C(O)C1O |
|---|
| InChI Key | GKIDZGUWBGRVDH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | halopyridines |
|---|
| Direct Parent | polyhalopyridines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
|---|
| Substituents | aromatic alcoholalcoholaromatic heteromonocyclic compoundazacycletetrahydrofuranpolyhalopyridineheteroaromatic compoundhydroxypyridinemonosaccharideoxacyclesaccharideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic cationprimary alcoholorganooxygen compound |
|---|
