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CHEBI:169442 - 12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one

ChEBI IDCHEBI:169442
ChEBI Name12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O3
Net Charge0
Average Mass236.311
Monoisotopic Mass236.14124
SMILESCc1c2oc(c1C)CCC(=O)OCCCCC2
InChIInChI=1S/C14H20O3/c1-10-11(2)13-7-8-14(15)16-9-5-3-4-6-12(10)17-13/h3-9H2,1-2H3
InChIKeyWLZAQMWDLSAMIH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one (CHEBI:169442) is a heteroarene (CHEBI:33833)
IUPAC Name 
12,13-dimethyl-5,14-dioxabicyclo[9.2.1]tetradeca-1(13),11-dien-4-one
Manual XrefsDatabases
21378031ChemSpider
LMFA07040039LIPID MAPS