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CHEBI:198948 - {(E)-3-(Chloromethylene)-2,3-dihydrobenzo[b]oxepin-7-yl}methylPalmitate

ChEBI IDCHEBI:198948
ChEBI Name{(E)-3-(Chloromethylene)-2,3-dihydrobenzo[b]oxepin-7-yl}methylPalmitate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H41ClO4
Net Charge0
Average Mass477.085
Monoisotopic Mass476.26934
SMILESCCCCCCCCCCCCCCCC(=O)OCc1ccc2c(c1O)C=C/C(=C\Cl)CO2
InChIInChI=1S/C28H41ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-27(30)33-22-24-17-19-26-25(28(24)31)18-16-23(20-29)21-32-26/h16-20,31H,2-15,21-22H2,1H3/b23-20+
InChIKeyZOPPMWXXWVZRMD-BSYVCWPDSA-N
Species of MetaboliteComponentSourceComments
Mycena galopus (ncbitaxon:41248) - DOI (10.1002/ejoc.200700812)
ChEBI Ontology
Outgoing Relation(s)
{(E)-3-(Chloromethylene)-2,3-dihydrobenzo[b]oxepin-7-yl}methylPalmitate (CHEBI:198948) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(3E)-3-(chloromethylidene)-6-hydroxy-1-benzoxepin-7-yl]methyl hexadecanoate
Manual XrefsDatabases
78434626ChemSpider