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CHEBI:169156 - methyl 13-butylperoxy-9,11-octadecadienoate

ChEBI IDCHEBI:169156
ChEBI Namemethyl 13-butylperoxy-9,11-octadecadienoate
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H42O4
Net Charge0
Average Mass382.585
Monoisotopic Mass382.30831
SMILESCCCCCC(/C=C/C=C/CCCCCCCC(=O)OC)OOC(C)(C)C
InChIInChI=1S/C23H42O4/c1-6-7-15-18-21(26-27-23(2,3)4)19-16-13-11-9-8-10-12-14-17-20-22(24)25-5/h11,13,16,19,21H,6-10,12,14-15,17-18,20H2,1-5H3/b13-11+,19-16+
InChIKeyGUWYTNFTPALBOJ-AEPWDTSSSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
methyl 13-butylperoxy-9,11-octadecadienoate (CHEBI:169156) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl (9E,11E)-13-tert-butylperoxyoctadeca-9,11-dienoate
Manual XrefsDatabases
4445999ChemSpider
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