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CHEBI:190111 - methyl 9,12-dihydroperoxy-10E,13E,15Z-octadecatrienoate

ChEBI IDCHEBI:190111
ChEBI Namemethyl 9,12-dihydroperoxy-10E,13E,15Z-octadecatrienoate
Stars
Last Modified28 March 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O6
Net Charge0
Average Mass356.459
Monoisotopic Mass356.21989
SMILESCC/C=C\C=C\C(/C=C/C(CCCCCCCC(=O)OC)OO)OO
InChIInChI=1S/C19H32O6/c1-3-4-5-9-12-17(24-21)15-16-18(25-22)13-10-7-6-8-11-14-19(20)23-2/h4-5,9,12,15-18,21-22H,3,6-8,10-11,13-14H2,1-2H3/b5-4-,12-9+,16-15+
InChIKeyGIYLADJCFNKDBC-SWPGUSFKSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
methyl 9,12-dihydroperoxy-10E,13E,15Z-octadecatrienoate (CHEBI:190111) is a hydroperoxy fatty ester (CHEBI:145037)
IUPAC Name 
methyl (10E,13E,15Z)-9,12-dihydroperoxyoctadeca-10,13,15-trienoate
Manual XrefsDatabases
LMFA01040044LIPID MAPS
4446006ChemSpider