CHEBI:190640 - delta8-THC-d9

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name delta8-THC-d9
ChEBI ID CHEBI:190640
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H21D9O2
Net Charge 0
Average Mass 323.524
Monoisotopic Mass 323.28107
InChI InChI=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
InChIKey HCAWPGARWVBULJ-OGIBJJSFSA-N
SMILES O1C([C@]2([C@@](CC(=CC2)C)(C=3C1=CC(=CC3O)CC(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[H])[H])(C)C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in liver (BTO:0000759). See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Manual Xref Database
32741697 ChemSpider
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