| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:09 UTC |
|---|
| Update Date | 2025-03-21 18:28:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072075 |
|---|
| Frequency | 41.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14BrNO |
|---|
| Molecular Mass | 255.0259 |
|---|
| SMILES | CN(C)CCC(=O)c1ccc(Br)cc1 |
|---|
| InChI Key | RSRQDUSONVRSMB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl alkyl ketonesaryl bromidesbenzoyl derivativesbeta-amino ketonesbromobenzeneshydrocarbon derivativesorganic oxidesorganobromidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundbeta-aminoketonetertiary aminetertiary aliphatic aminebromobenzenearyl halidearomatic homomonocyclic compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideaminealkyl-phenylketone |
|---|
