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CHEBI:50462 - citronellol

ChEBI IDCHEBI:50462
ChEBI Namecitronellol
Stars
DefinitionA monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7.
Last Modified17 August 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H20O
Net Charge0
Average Mass156.269
Monoisotopic Mass156.15142
SMILESCC(C)=CCCC(C)CCO
InChIInChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
InChIKeyQMVPMAAFGQKVCJ-UHFFFAOYSA-N
Wikipedia
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 (CHEBI:50462) has role plant metabolite (CHEBI:76924)
citronellol (CHEBI:50462) is a monoterpenoid (CHEBI:25409)
Incoming Relation(s)
citronellol acetate (CHEBI:70478) has functional parent citronellol (CHEBI:50462)
(R)-(+)-citronellol (CHEBI:10360) is a citronellol (CHEBI:50462)
(S)-(−)-citronellol (CHEBI:88) is a citronellol (CHEBI:50462)
IUPAC Name 
3,7-dimethyloct-6-en-1-ol
Synonyms  Source
2,6-Dimethyl-2-octen-8-olChemIDplus
3,7-Dimethyl-6-octen-1-olChemIDplus
β-CitronellolNIST Chemistry WebBook
CephrolNIST Chemistry WebBook
ElenolNIST Chemistry WebBook
2,3-DihydrogeraniolNIST Chemistry WebBook
Manual XrefsDatabases
CitronellolWikipedia
Registry NumbersSources
Reaxys:1362474Reaxys
CAS:106-22-9ChemIDplus
CAS:106-22-9NIST Chemistry WebBook
Citations