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CHEBI:168512 - Santalyl acetate

ChEBI IDCHEBI:168512
ChEBI NameSantalyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O2
Net Charge0
Average Mass262.393
Monoisotopic Mass262.19328
SMILESC=C1C2CCC(C2)C1(C)CC/C=C(\C)COC(C)=O
InChIInChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6+
InChIKeyRCFGRZLLBGMERD-WUXMJOGZSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Santalyl acetate (CHEBI:168512) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(E)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] acetate
Manual XrefsDatabases
4509092ChemSpider