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CHEBI:171770 - Isobornyl isobutyrate

ChEBI IDCHEBI:171770
ChEBI NameIsobornyl isobutyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24O2
Net Charge0
Average Mass224.344
Monoisotopic Mass224.17763
SMILES[H][C@@]12CC[C@@](C)([C@H](OC(=O)C(C)C)C1)C2(C)C
InChIInChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m1/s1
InChIKeyKRKIAJBQOUBNSE-GYSYKLTISA-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)
Isobornyl isobutyrate (CHEBI:171770) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate
Manual XrefsDatabases
152187ChemSpider
Registry NumbersSources
CAS:85586-67-0ChemIDplus