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CHEBI:190640 - delta8-THC-d9

ChEBI IDCHEBI:190640
ChEBI Namedelta8-THC-d9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21D9O2
Net Charge0
Average Mass323.524
Monoisotopic Mass323.28107
SMILES[H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(CC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])cc(O)c12
InChIInChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1/i1D3,5D2,6D2,7D2
InChIKeyHCAWPGARWVBULJ-OGIBJJSFSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
delta8-THC-d9 (CHEBI:190640) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(6aR,10aR)-6,6,9-trimethyl-3-(2,2,3,3,4,4,5,5,5-nonadeuteriopentyl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
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32741697ChemSpider