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CHEBI:226524 - (1-[(3-chlorome-(E)-thylene)-2,3-dihydro-1-benzoxepin-7-yl]-methanol)

ChEBI IDCHEBI:226524
ChEBI Name(1-[(3-chlorome-(E)-thylene)-2,3-dihydro-1-benzoxepin-7-yl]-methanol)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H11ClO3
Net Charge0
Average Mass238.670
Monoisotopic Mass238.03967
SMILESOCc1ccc2c(c1O)C=C/C(=C\Cl)CO2
InChIInChI=1S/C12H11ClO3/c13-5-8-1-3-10-11(16-7-8)4-2-9(6-14)12(10)15/h1-5,14-15H,6-7H2/b8-5+
InChIKeyCUDHJKWZWLRYEY-VMPITWQZSA-N
Species of MetaboliteComponentSourceComments
Mycena galopus (ncbitaxon:41248) - DOI (10.1016/s0040-4039(99)01074-6)
ChEBI Ontology
Outgoing Relation(s)
(1-[(3-chlorome-(E)-thylene)-2,3-dihydro-1-benzoxepin-7-yl]-methanol) (CHEBI:226524) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3E)-3-(chloromethylidene)-7-(hydroxymethyl)-1-benzoxepin-6-ol
Manual XrefsDatabases
78435490ChemSpider