CHEBI:5331 - geranyl acetate

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ChEBI Name geranyl acetate
ChEBI ID CHEBI:5331
Definition A monoterpenoid that is the acetate ester derivative of geraniol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H20O2
Net Charge 0
Average Mass 196.28600
Monoisotopic Mass 196.146
InChI InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
InChIKey HIGQPQRQIQDZMP-DHZHZOJOSA-N
SMILES CC(C)=CCC\C(C)=C\COC(C)=O
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.
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ChEBI Ontology
Outgoing geranyl acetate (CHEBI:5331) has functional parent geraniol (CHEBI:17447)
geranyl acetate (CHEBI:5331) has role plant metabolite (CHEBI:76924)
geranyl acetate (CHEBI:5331) is a acetate ester (CHEBI:47622)
geranyl acetate (CHEBI:5331) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate
Synonym Source
trans-3,7-dimethyl-2,6-octadien-1-yl acetate ChEBI
Manual Xrefs Databases
C00003046 KNApSAcK
C09861 KEGG COMPOUND
CPD-9758 MetaCyc
Geranyl_acetate Wikipedia
HMDB0035157 HMDB
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Registry Numbers Types Sources
105-87-3 CAS Registry Number KEGG COMPOUND
105-87-3 CAS Registry Number NIST Chemistry WebBook
1722815 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25698327 PubMed citation Europe PMC
Last Modified
01 September 2015