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CHEBI:197088 - 8,11-Dihydroxy-delta9-tetrahydrocannabinol

ChEBI IDCHEBI:197088
ChEBI Name8,11-Dihydroxy-delta9-tetrahydrocannabinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@@]12C=C(CO)C(O)C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c12
InChIInChI=1S/C21H30O4/c1-4-5-6-7-13-8-18(24)20-15-10-14(12-22)17(23)11-16(15)21(2,3)25-19(20)9-13/h8-10,15-17,22-24H,4-7,11-12H2,1-3H3/t15-,16-,17?/m1/s1
InChIKeyXTDYIISRNODHHT-YNPPLXCJSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
8,11-Dihydroxy-delta9-tetrahydrocannabinol (CHEBI:197088) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,8-diol
Manual XrefsDatabases
64854635ChemSpider