| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:47 UTC |
|---|
| Update Date | 2025-03-21 18:04:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00052318 |
|---|
| Frequency | 69.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO4 |
|---|
| Molecular Mass | 171.0532 |
|---|
| SMILES | OCc1cnc(O)c(O)c1CO |
|---|
| InChI Key | HKARPWCDNMJUBN-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 derivativeshydroxypyridinesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aromatic alcoholalcoholaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
|---|
