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CHEBI:191073 - Bromoenol lactone

ChEBI IDCHEBI:191073
ChEBI NameBromoenol lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H13BrO2
Net Charge0
Average Mass317.182
Monoisotopic Mass316.00989
SMILESO=C1O/C(=C/Br)CCC1c1cccc2ccccc12
InChIInChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+
InChIKeyBYUCSFWXCMTYOI-ZRDIBKRKSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Bromoenol lactone (CHEBI:191073) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one
Manual XrefsDatabases
4757566ChemSpider
Registry NumbersSources
CAS:88070-98-8ChemIDplus