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CHEBI:230837 - Dexanabinol

ChEBI IDCHEBI:230837
ChEBI NameDexanabinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O3
Net Charge0
Average Mass386.576
Monoisotopic Mass386.28210
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(CO)C[C@H]21
InChIInChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1
InChIKeySSQJFGMEZBFMNV-PMACEKPBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Dexanabinol (CHEBI:230837) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Manual XrefsDatabases
96934ChemSpider
DB06444DrugBank