| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:53 UTC |
|---|
| Update Date | 2025-03-21 18:36:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00112492 |
|---|
| Frequency | 23.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H5BrCl2O |
|---|
| Molecular Mass | 265.8901 |
|---|
| SMILES | O=C(c1ccccc1)C(Cl)(Cl)Br |
|---|
| InChI Key | QFGAJWPGYQPRGF-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 | alkyl bromidesalkyl chloridesalpha-chloroketonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganobromidesorganochloridesorganooxygen compounds |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonealkyl chlorideorganochloridebenzoylorganohalogen compoundalkyl bromidealpha-chloroketonearomatic homomonocyclic compoundorganic oxideorganobromidealpha-haloketonealkyl halidehydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
