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> Main
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.
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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
View more database links
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
Type
Source
20964319
PubMed citation
Europe PMC
Last Modified
17 August 2015