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CHEBI:178474 - methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate

ChEBI IDCHEBI:178474
ChEBI Namemethyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O8
Net Charge0
Average Mass414.495
Monoisotopic Mass414.22537
SMILESCCCCCC(/C=C/C=C/C=C/C1CC(C(CCCC(=O)OC)OO)OO1)OO
InChIInChI=1S/C21H34O8/c1-3-4-7-11-17(26-23)12-8-5-6-9-13-18-16-20(29-28-18)19(27-24)14-10-15-21(22)25-2/h5-6,8-9,12-13,17-20,23-24H,3-4,7,10-11,14-16H2,1-2H3/b6-5+,12-8+,13-9+
InChIKeyAWZPWRYFAAHRSV-NABOWOGOSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate (CHEBI:178474) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl 5-hydroperoxy-5-[5-[(1E,3E,5E)-7-hydroperoxydodeca-1,3,5-trienyl]dioxolan-3-yl]pentanoate
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LMFA03050014LIPID MAPS
4446275ChemSpider