| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 05:58:20 UTC |
|---|
| Update Date | 2025-03-24 16:35:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00910265 |
|---|
| Frequency | 1.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8N2O |
|---|
| Molecular Mass | 136.0637 |
|---|
| SMILES | CC(=O)c1cccc(N)n1 |
|---|
| InChI Key | OWXJHHZBARYNCT-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-halopyridinesaryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmethylpyridinesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary amines |
|---|
| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridineketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundimidolactamamineorganooxygen compoundaryl ketone |
|---|
