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CHEBI:169438 - Dipropyl hexanedioate

ChEBI IDCHEBI:169438
ChEBI NameDipropyl hexanedioate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O4
Net Charge0
Average Mass230.304
Monoisotopic Mass230.15181
SMILESCCCOC(=O)CCCCC(=O)OCCC
InChIInChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
InChIKeyNKOUWLLFHNBUDW-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)
Dipropyl hexanedioate (CHEBI:169438) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
dipropyl hexanedioate
Manual XrefsDatabases
7502ChemSpider
HMDB0041614HMDB
LMFA07010841LIPID MAPS
Registry NumbersSources
CAS:106-19-4ChemIDplus