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CHEBI:70478 - citronellol acetate

ChEBI IDCHEBI:70478
ChEBI Namecitronellol acetate
Stars
DefinitionA monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix.
Last Modified17 August 2015
DownloadsMolfile
FormulaC12H22O2
Net Charge0
Average Mass198.306
Monoisotopic Mass198.16198
SMILESCC(=O)OCCC(C)CCC=C(C)C
InChIInChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
InChIKeyJOZKFWLRHCDGJA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Citrus hystrix (ncbitaxon:170989) exocarp (BTO:0000733) PubMed (20964319) The hexane extract of dried and ground fruit peels
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
citronellol acetate (CHEBI:70478) has functional parent citronellol (CHEBI:50462)
citronellol acetate (CHEBI:70478) has role plant metabolite (CHEBI:76924)
citronellol acetate (CHEBI:70478) is a acetate ester (CHEBI:47622)
citronellol acetate (CHEBI:70478) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3,7-Dimethyl-6-octen-1-yl acetate
Synonyms  Source
β-citronellol acetateHMDB
β-citronellyl acetateHMDB
Manual XrefsDatabases
C00035564KNApSAcK
C12298KEGG COMPOUND
LMPR0102010015LIPID MAPS
HMDB0034160HMDB
Registry NumbersSources
Reaxys:1723886Reaxys
CAS:150-84-5KEGG COMPOUND
CAS:150-84-5ChemIDplus
CAS:150-84-5NIST Chemistry WebBook
Citations