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CHEBI:185737 - methyl 9,12,13,15-bisepidioxy-16-hydroperoxy-10-octadecenoate

ChEBI IDCHEBI:185737
ChEBI Namemethyl 9,12,13,15-bisepidioxy-16-hydroperoxy-10-octadecenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O8
Net Charge0
Average Mass388.457
Monoisotopic Mass388.20972
SMILESCCC(OO)C1CC(C2C=CC(CCCCCCCC(=O)OC)OO2)OO1
InChIInChI=1S/C19H32O8/c1-3-15(23-21)17-13-18(27-26-17)16-12-11-14(24-25-16)9-7-5-4-6-8-10-19(20)22-2/h11-12,14-18,21H,3-10,13H2,1-2H3
InChIKeyQAMDHRQSVQULEB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
methyl 9,12,13,15-bisepidioxy-16-hydroperoxy-10-octadecenoate (CHEBI:185737) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl 8-[6-[5-(1-hydroperoxypropyl)dioxolan-3-yl]-3,6-dihydro-1,2-dioxin-3-yl]octanoate
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4446020ChemSpider
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