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CHEBI:183780 - (+/-)-CP 47,497-C7-Hydroxy metabolite

ChEBI IDCHEBI:183780
ChEBI Name(+/-)-CP 47,497-C7-Hydroxy metabolite
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O3
Net Charge0
Average Mass334.500
Monoisotopic Mass334.25079
SMILES[H][C@]1(c2ccc(C(C)(C)CCCCCCO)cc2O)CCC[C@@H](O)C1
InChIInChI=1S/C21H34O3/c1-21(2,12-5-3-4-6-13-22)17-10-11-19(20(24)15-17)16-8-7-9-18(23)14-16/h10-11,15-16,18,22-24H,3-9,12-14H2,1-2H3/t16-,18+/m0/s1
InChIKeyOVDBRQAUSFGKDW-FUHWJXTLSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
(+/-)-CP 47,497-C7-Hydroxy metabolite (CHEBI:183780) is a alkylbenzene (CHEBI:38976)
(+/-)-CP 47,497-C7-Hydroxy metabolite (CHEBI:183780) is a ring assembly (CHEBI:36820)
IUPAC Name 
2-[(1S,3R)-3-hydroxycyclohexyl]-5-(8-hydroxy-2-methyloctan-2-yl)phenol
Manual XrefsDatabases
29341872ChemSpider