CHEBI:171871 - Citronellyl butyrate

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ChEBI Name Citronellyl butyrate
ChEBI ID CHEBI:171871
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H26O2
Net Charge 0
Average Mass 226.360
Monoisotopic Mass 226.19328
InChI InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3
InChIKey XQPZQXTWYZAXAK-UHFFFAOYSA-N
SMILES O(CCC(CCC=C(C)C)C)C(=O)CCC
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 butyrate (CHEBI:171871) is a carboxylic ester (CHEBI:33308)
IUPAC Name
3,7-dimethyloct-6-enyl butanoate
Manual Xrefs Databases
8503 ChemSpider
HMDB0037227 HMDB
LMFA07010814 LIPID MAPS
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Registry Number Type Source
141-16-2 CAS Registry Number ChemIDplus