| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:11 UTC |
|---|
| Update Date | 2025-03-21 18:41:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00134459 |
|---|
| Frequency | 18.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H8BrNO |
|---|
| Molecular Mass | 260.9789 |
|---|
| SMILES | O=C(c1ccc(Br)cc1)c1ccccn1 |
|---|
| InChI Key | CQIMFAYIBRLNCH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl-phenylketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesaryl bromidesaryl ketonesazacyclic compoundsbenzoyl derivativesbromobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridinecarboxylic acids and derivatives |
|---|
| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundbenzoylorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacyclearyl-phenylketoneheteroaromatic compoundbromobenzenearyl halidepyridineorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromide |
|---|
