CHEBI:171867 - Citronellyl isobutyrate

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ChEBI Name Citronellyl isobutyrate
ChEBI ID CHEBI:171867
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C14H26O2
Net Charge 0
Average Mass 226.360
Monoisotopic Mass 226.19328
InChI InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3
InChIKey ZGPPERKMXSGYRK-UHFFFAOYSA-N
SMILES O(CCC(CCC=C(C)C)C)C(=O)C(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Citronellyl isobutyrate (CHEBI:171867) is a carboxylic ester (CHEBI:33308)
IUPAC Name
3,7-dimethyloct-6-enyl 2-methylpropanoate
Manual Xrefs Databases
54946 ChemSpider
HMDB0037228 HMDB
LMFA07010817 LIPID MAPS
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Registry Number Type Source
97-89-2 CAS Registry Number ChemIDplus