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CHEBI:31648 - (E)-geranyl formate

ChEBI IDCHEBI:31648
ChEBI Name(E)-geranyl formate
Stars
ASCII Name(E)-geranyl formate
DefinitionThe formate ester of geraniol.
Last Modified10 March 2014
DownloadsMolfile
FormulaC11H18O2
Net Charge0
Average Mass182.263
Monoisotopic Mass182.13068
SMILES[H]C(=O)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
InChIKeyFQMZVFJYMPNUCT-YRNVUSSQSA-N
Roles Classification
Biological Roles:
alarm pheromone  A pheromone which is released by an organism when damaged by a predator which warns other individuals that there is a danger.
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)
(E)-geranyl formate (CHEBI:31648) has functional parent geraniol (CHEBI:17447)
(E)-geranyl formate (CHEBI:31648) has role alarm pheromone (CHEBI:72575)
(E)-geranyl formate (CHEBI:31648) has role plant metabolite (CHEBI:76924)
(E)-geranyl formate (CHEBI:31648) is a formate ester (CHEBI:52343)
IUPAC Name 
(2E)-3,7-dimethylocta-2,6-dien-1-yl formate
Synonyms  Source
Geranyl formateKEGG COMPOUND
(2E)-3,7-dimethyl-2,6-octadien-1-ol, 1-formateChemIDplus
Formic acid, geraniol esterChemIDplus
Geraniol formateChemIDplus
Geranyl methanoateChemIDplus
trans-3,7-Dimethyl-2,6-octadien-1-yl formateChemIDplus
Manual XrefsDatabases
C12294KEGG COMPOUND
HMDB0035156HMDB
Registry NumbersSources
Reaxys:1724191Reaxys
CAS:105-86-2KEGG COMPOUND
CAS:105-86-2ChemIDplus
CAS:105-86-2NIST Chemistry WebBook
Citations