EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229914 - bromchlorenone

ChEBI IDCHEBI:229914
ChEBI Namebromchlorenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H3BrClNO2
Net Charge0
Average Mass248.463
Monoisotopic Mass246.90357
SMILESO=c1nc2cc(Cl)c(Br)cc2o1
InChIInChI=1S/C7H3BrClNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)
InChIKeyKVAWWXSLBDVXHJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
bromchlorenone (CHEBI:229914) is a benzoxazole (CHEBI:46700)
IUPAC Name 
6-bromo-5-chloro-3H-1,3-benzoxazol-2-one
Manual XrefsDatabases
20441ChemSpider
D03161KEGG DRUG