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CHEBI:227201 - Pterulone

ChEBI IDCHEBI:227201
ChEBI NamePterulone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H11ClO2
Net Charge0
Average Mass234.682
Monoisotopic Mass234.04476
SMILESCC(=O)c1ccc2c(c1)C=C/C(=C\Cl)CO2
InChIInChI=1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3/b10-7+
InChIKeyQEWSARCWWQPUSM-JXMROGBWSA-N
Species of MetaboliteComponentSourceComments
Pterula (ncbitaxon:104239) - PubMed (9186558)
ChEBI Ontology
Outgoing Relation(s)
Pterulone (CHEBI:227201) is a oxacycle (CHEBI:38104)
IUPAC Name 
1-[(3E)-3-(chloromethylidene)-1-benzoxepin-7-yl]ethanone
Manual XrefsDatabases
9950908ChemSpider