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CHEBI:87511 - nonyl acetate

ChEBI IDCHEBI:87511
ChEBI Namenonyl acetate
Stars
DefinitionThe acetate ester of nonan-1-ol.
Last Modified1 September 2015
Submitternamrata
DownloadsMolfile
FormulaC11H22O2
Net Charge0
Average Mass186.295
Monoisotopic Mass186.16198
SMILESCCCCCCCCCOC(C)=O
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
InChIKeyGJQIMXVRFNLMTB-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
nonyl acetate (CHEBI:87511) has functional parent nonan-1-ol (CHEBI:35986)
nonyl acetate (CHEBI:87511) has role metabolite (CHEBI:25212)
nonyl acetate (CHEBI:87511) is a acetate ester (CHEBI:47622)
IUPAC Name 
nonyl acetate
Synonym  Source
acetic acid nonyl esterChEBI
Manual XrefsDatabases
HMDB0040266HMDB
LMFA07010200LIPID MAPS
Registry NumbersSources
Reaxys:1759352Reaxys
CAS:143-13-5ChemIDplus
CAS:143-13-5NIST Chemistry WebBook