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CHEBI:197052 - Kessane

ChEBI IDCHEBI:197052
ChEBI NameKessane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@]12CC[C@](C)(OC1(C)C)[C@]1([H])CC[C@@H](C)[C@@]1([H])C2
InChIInChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13-,15+/m1/s1
InChIKeyQRVMFXFSGYDNJI-HVNMYJMUSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Kessane (CHEBI:197052) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,2R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane
Manual XrefsDatabases
9485584ChemSpider