CHEBI:183415 - delta8-THC

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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
ChEBI ID CHEBI:183415
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O2
Net Charge 0
Average Mass 314.469
Monoisotopic Mass 314.22458
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
InChIKey HCAWPGARWVBULJ-IAGOWNOFSA-N
SMILES O1C([C@]2([C@@](CC(=CC2)C)(C=3C1=CC(=CC3O)CCCCC)[H])[H])(C)C
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
553592 ChemSpider
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Registry Number Type Source
5957-75-5 CAS Registry Number ChemIDplus