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CHEBI:197187 - CP 47,497-C8-homolog C-8-hydroxy metabolite

ChEBI IDCHEBI:197187
ChEBI NameCP 47,497-C8-homolog C-8-hydroxy metabolite
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O3
Net Charge0
Average Mass348.527
Monoisotopic Mass348.26645
SMILES[H][C@]1(c2ccc(C(C)(C)CCCCCCCO)cc2O)CCC[C@@H](O)C1
InChIInChI=1S/C22H36O3/c1-22(2,13-6-4-3-5-7-14-23)18-11-12-20(21(25)16-18)17-9-8-10-19(24)15-17/h11-12,16-17,19,23-25H,3-10,13-15H2,1-2H3/t17-,19+/m0/s1
InChIKeyCGEUPVXPOYJOQH-PKOBYXMFSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
CP 47,497-C8-homolog C-8-hydroxy metabolite (CHEBI:197187) is a alkylbenzene (CHEBI:38976)
CP 47,497-C8-homolog C-8-hydroxy metabolite (CHEBI:197187) is a ring assembly (CHEBI:36820)
IUPAC Name 
2-[(1S,3R)-3-hydroxycyclohexyl]-5-(9-hydroxy-2-methylnonan-2-yl)phenol
Manual XrefsDatabases
29341873ChemSpider