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CHEBI:171794 - Coniferan

ChEBI IDCHEBI:171794
ChEBI NameConiferan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O2
Net Charge0
Average Mass212.333
Monoisotopic Mass212.17763
SMILESCCC(C)(C)C1CCCCC1OC(C)=O
InChIInChI=1S/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3
InChIKeyYEVACTAGDANHRH-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)
Coniferan (CHEBI:171794) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[2-(2-methylbutan-2-yl)cyclohexyl] acetate
Manual XrefsDatabases
56046ChemSpider
HMDB0031741HMDB
Registry NumbersSources
CAS:67874-72-0ChemIDplus