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CHEBI:168986 - Dioctyl hexanedioate

ChEBI IDCHEBI:168986
ChEBI NameDioctyl hexanedioate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H42O4
Net Charge0
Average Mass370.574
Monoisotopic Mass370.30831
SMILESCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
InChIInChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyNEHDRDVHPTWWFG-UHFFFAOYSA-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)
Dioctyl hexanedioate (CHEBI:168986) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
dioctyl hexanedioate
Manual XrefsDatabases
29011ChemSpider
HMDB0041619HMDB
LMFA07010840LIPID MAPS
Registry NumbersSources
CAS:123-79-5ChemIDplus