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CHEBI:183415 - delta8-THC

ChEBI IDCHEBI:183415
ChEBI Namedelta8-THC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O2
Net Charge0
Average Mass314.469
Monoisotopic Mass314.22458
SMILES[H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)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
InChIKeyHCAWPGARWVBULJ-IAGOWNOFSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
delta8-THC (CHEBI:183415) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Manual XrefsDatabases
553592ChemSpider
Registry NumbersSources
CAS:5957-75-5ChemIDplus