| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:11 UTC |
|---|
| Update Date | 2025-03-21 18:39:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00125083 |
|---|
| Frequency | 20.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7NO |
|---|
| Molecular Mass | 121.0528 |
|---|
| SMILES | c1cnc2c(c1)CCO2 |
|---|
| InChI Key | IFMHNXABCSMTFF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | halopyridines |
|---|
| Direct Parent | polyhalopyridines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridines and derivatives |
|---|
| Substituents | etherazacyclepolyhalopyridineheteroaromatic compoundalkyl aryl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
|---|
