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CHEBI:198366 - 2,3-Dihydro-1-benzoxepin derivative 4a

ChEBI IDCHEBI:198366
ChEBI Name2,3-Dihydro-1-benzoxepin derivative 4a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H9ClO3
Net Charge0
Average Mass236.654
Monoisotopic Mass236.02402
SMILESO=C(O)c1ccc2c(c1)C=C/C(=C\Cl)CO2
InChIInChI=1S/C12H9ClO3/c13-6-8-1-2-9-5-10(12(14)15)3-4-11(9)16-7-8/h1-6H,7H2,(H,14,15)/b8-6+
InChIKeyWMKQQACRJZCVTG-SOFGYWHQSA-N
Species of MetaboliteComponentSourceComments
Favolaschia (ncbitaxon:139071) - PubMed (20329738)
ChEBI Ontology
Outgoing Relation(s)
2,3-Dihydro-1-benzoxepin derivative 4a (CHEBI:198366) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3E)-3-(chloromethylidene)-1-benzoxepine-7-carboxylic acid
Manual XrefsDatabases
24676782ChemSpider