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CHEBI:172062 - Methyl citronellate

ChEBI IDCHEBI:172062
ChEBI NameMethyl citronellate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILESCOC(=O)CC(C)CCC=C(C)C
InChIInChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3
InChIKeyZFLPOPCZMXGUOJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Methyl citronellate (CHEBI:172062) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
methyl 3,7-dimethyloct-6-enoate
Manual XrefsDatabases
55229ChemSpider
HMDB0037225HMDB
LMFA07010524LIPID MAPS
Registry NumbersSources
CAS:2270-60-2ChemIDplus