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CHEBI:171861 - Rhodinyl isobutyrate

ChEBI IDCHEBI:171861
ChEBI NameRhodinyl isobutyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26O2
Net Charge0
Average Mass226.360
Monoisotopic Mass226.19328
SMILESC=C(C)CCCC(C)CCOC(=O)C(C)C
InChIInChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h12-13H,1,6-10H2,2-5H3
InChIKeyKHCGLDOOFYZQKU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Rhodinyl isobutyrate (CHEBI:171861) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3,7-dimethyloct-7-enyl 2-methylpropanoate
Manual XrefsDatabases
55039ChemSpider
HMDB0037189HMDB
LMFA07011013LIPID MAPS
Registry NumbersSources
CAS:138-23-8ChemIDplus