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CHEBI:5331 - geranyl acetate

ChEBI IDCHEBI:5331
ChEBI Namegeranyl acetate
Stars
DefinitionA monoterpenoid that is the acetate ester derivative of geraniol.
Last Modified28 October 2020
DownloadsMolfile
FormulaC12H20O2
Net Charge0
Average Mass196.290
Monoisotopic Mass196.14633
SMILESCC(=O)OC/C=C(\C)CCC=C(C)C
InChIInChI=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+
InChIKeyHIGQPQRQIQDZMP-DHZHZOJOSA-N
Wikipedia
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)
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 acetateChEBI
UniProt Name  Source
(2E)-geranyl acetateUniProt
Manual XrefsDatabases
C09861KEGG COMPOUND
C00003046KNApSAcK
CPD-9758MetaCyc
HMDB0035157HMDB
Geranyl_acetateWikipedia
Registry NumbersSources
Reaxys:1722815Reaxys
CAS:105-87-3KEGG COMPOUND
CAS:105-87-3NIST Chemistry WebBook
Citations