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

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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	CP 47,497-C8-homolog C-8-hydroxy metabolite

ChEBI ID	CHEBI:197187

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H36O3

Net Charge

Average Mass

348.527

Monoisotopic Mass

348.26645

InChI

InChI=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

InChIKey

CGEUPVXPOYJOQH-PKOBYXMFSA-N

SMILES

O[C@H]1C[C@](CCC1)(C2=C(O)C=C(C(CCCCCCCO)(C)C)C=C2)[H]

Metabolite of Species	Details
Cannabis sativa (NCBI:txid3483)	Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study

ChEBI Ontology
Outgoing	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