CHEBI:171853 - Citronellyl isovalerate

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ChEBI Name Citronellyl isovalerate
ChEBI ID CHEBI:171853
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H28O2
Net Charge 0
Average Mass 240.387
Monoisotopic Mass 240.20893
InChI InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3
InChIKey WZTNQQJXPYEGAF-UHFFFAOYSA-N
SMILES O(CCC(CCC=C(C)C)C)C(=O)CC(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Citronellyl isovalerate (CHEBI:171853) is a carboxylic ester (CHEBI:33308)
IUPAC Name
3,7-dimethyloct-6-enyl 3-methylbutanoate
Manual Xrefs Databases
99993 ChemSpider
HMDB0038954 HMDB
LMFA07010818 LIPID MAPS
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Registry Number Type Source
68922-10-1 CAS Registry Number ChemIDplus