CHEBI:70478 - citronellol acetate

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ChEBI Name citronellol acetate
ChEBI ID CHEBI:70478
Definition A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H22O2
Net Charge 0
Average Mass 198.30190
Monoisotopic Mass 198.16198
InChI InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
InChIKey JOZKFWLRHCDGJA-UHFFFAOYSA-N
SMILES CC(CCOC(C)=O)CCC=C(C)C
Metabolite of Species Details
Citrus hystrix (NCBI:txid170989) Found in exocarp (BTO:0000733). The hexane extract of dried and ground fruit peels See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
β-citronellol acetate HMDB
β-citronellyl acetate HMDB
Manual Xrefs Databases
C00035564 KNApSAcK
C12298 KEGG COMPOUND
HMDB0034160 HMDB
LMPR0102010015 LIPID MAPS
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Registry Numbers Types Sources
150-84-5 CAS Registry Number ChemIDplus
150-84-5 CAS Registry Number NIST Chemistry WebBook
1723886 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20964319 PubMed citation Europe PMC
Last Modified
17 August 2015