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CHEBI:169078 - Nonyl octanoate

ChEBI IDCHEBI:169078
ChEBI NameNonyl octanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H34O2
Net Charge0
Average Mass270.457
Monoisotopic Mass270.25588
SMILESCCCCCCCCCOC(=O)CCCCCCC
InChIInChI=1S/C17H34O2/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h3-16H2,1-2H3
InChIKeyHSGQXSBXGSRINJ-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)
Nonyl octanoate (CHEBI:169078) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
nonyl octanoate
Manual XrefsDatabases
512326ChemSpider
HMDB0034131HMDB
LMFA07010978LIPID MAPS
Registry NumbersSources
CAS:7786-48-3ChemIDplus