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CHEBI:169673 - 11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate

ChEBI IDCHEBI:169673
ChEBI Name11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H21F5O2
Net Charge0
Average Mass316.310
Monoisotopic Mass316.14617
SMILESCC(=O)OCCCCCCCC/C=C\C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F5O2/c1-12(20)21-11-9-7-5-3-2-4-6-8-10-13(15,16)14(17,18)19/h8,10H,2-7,9,11H2,1H3/b10-8-
InChIKeyNGQFYLPHKQIHEH-NTMALXAHSA-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)
11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate (CHEBI:169673) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(Z)-11,11,12,12,12-pentaluorododec-9-enyl] acetate
Manual XrefsDatabases
24841924ChemSpider
LMFA07010258LIPID MAPS