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CHEBI:177267 - alpha-Santalyl acetate

ChEBI IDCHEBI:177267
ChEBI Namealpha-Santalyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O2
Net Charge0
Average Mass262.393
Monoisotopic Mass262.19328
SMILES[H][C@@]12CC3C[C@]1([H])C2(C)[C@]3(C)CC/C=C(/C)COC(C)=O
InChIInChI=1S/C17H26O2/c1-11(10-19-12(2)18)6-5-7-16(3)13-8-14-15(9-13)17(14,16)4/h6,13-15H,5,7-10H2,1-4H3/b11-6-/t13?,14-,15+,16-,17?/m1/s1
InChIKeyIXRPKRWXUJOOBZ-AVMVYAPKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) Article Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
alpha-Santalyl acetate (CHEBI:177267) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(Z)-5-[(1R,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-enyl] acetate
Manual XrefsDatabases
4949418ChemSpider
Registry NumbersSources
CAS:41414-75-9ChemIDplus