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CHEBI:194260 - (S)-Bromoenol lactone

ChEBI IDCHEBI:194260
ChEBI Name(S)-Bromoenol lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H13BrO2
Net Charge0
Average Mass317.182
Monoisotopic Mass316.00989
SMILES[H][C@@]1(c2cccc3ccccc23)CC/C(=C\Br)OC1=O
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+/t15-/m0/s1
InChIKeyBYUCSFWXCMTYOI-PABFRNLHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) peripheral blood mononuclear cell (BTO:0001025) MetaboLights (MTBLS6661)
ChEBI Ontology
Outgoing Relation(s)
(S)-Bromoenol lactone (CHEBI:194260) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(3S,6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one
Manual XrefsDatabases
21467555ChemSpider