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CHEBI:171869 - Rhodinyl butyrate

ChEBI IDCHEBI:171869
ChEBI NameRhodinyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26O2
Net Charge0
Average Mass226.360
Monoisotopic Mass226.19328
SMILESC=C(C)CCCC(C)CCOC(=O)CCC
InChIInChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h13H,2,5-11H2,1,3-4H3
InChIKeyPYGYQOOIXMJQOJ-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)
Rhodinyl butyrate (CHEBI:171869) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3,7-dimethyloct-7-enyl butanoate
Manual XrefsDatabases
55045ChemSpider
HMDB0037188HMDB
LMFA07011011LIPID MAPS
Registry NumbersSources
CAS:141-15-1ChemIDplus