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CHEBI:187238 - methyl 10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoate

Default Structure
ChEBI IDCHEBI:187238
ChEBI Namemethyl 10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O8
Net Charge0
Average Mass388.457
Monoisotopic Mass388.20972
SMILESCCC1C=CC(C2CC(C(CCCCCCCC(=O)OC)OO)OO2)OO1
InChIInChI=1S/C19H32O8/c1-3-14-11-12-16(25-24-14)18-13-17(26-27-18)15(23-21)9-7-5-4-6-8-10-19(20)22-2/h11-12,14-18,21H,3-10,13H2,1-2H3
InChIKeyLWTWZXHNYOALAJ-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 10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoate (CHEBI:187238) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl 9-[5-(6-ethyl-3,6-dihydro-1,2-dioxin-3-yl)dioxolan-3-yl]-9-hydroperoxynonanoate
Manual XrefsDatabases
4446019ChemSpider
LMFA01040057LIPID MAPS