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CHEBI:165289 - Methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate

ChEBI IDCHEBI:165289
ChEBI NameMethyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O8
Net Charge0
Average Mass414.495
Monoisotopic Mass414.22537
SMILESCCCCCC(/C=C/C(OO)C1CC(/C=C/C=C/CCCC(=O)OC)OO1)OO
InChIInChI=1S/C21H34O8/c1-3-4-8-11-17(26-23)14-15-19(27-24)20-16-18(28-29-20)12-9-6-5-7-10-13-21(22)25-2/h5-6,9,12,14-15,17-20,23-24H,3-4,7-8,10-11,13,16H2,1-2H3/b6-5+,12-9+,15-14+
InChIKeyPHFOFPDSQPMIQP-XUZYXDFQSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate (CHEBI:165289) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl (5E,7E)-8-[5-[(E)-1,4-dihydroperoxynon-2-enyl]dioxolan-3-yl]octa-5,7-dienoate
Manual XrefsDatabases
LMFA03050013LIPID MAPS
4446274ChemSpider