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CHEBI:184593 - Methyl sorbate

ChEBI IDCHEBI:184593
ChEBI NameMethyl sorbate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H10O2
Net Charge0
Average Mass126.155
Monoisotopic Mass126.06808
SMILESC/C=C/C=C/C(=O)OC
InChIInChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+
InChIKeyKWKVAGQCDSHWFK-VNKDHWASSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Methyl sorbate (CHEBI:184593) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2E,4E)-hexa-2,4-dienoate
Manual XrefsDatabases
4481192ChemSpider
HMDB0029582HMDB
LMFA07010967LIPID MAPS
Registry NumbersSources
CAS:689-89-4ChemIDplus