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CHEBI:191114 - Phenol, 5-(1,1-dimethylheptyl)-2-[(1r,3s)-3-hydroxycyclohexyl]-

ChEBI IDCHEBI:191114
ChEBI NamePhenol, 5-(1,1-dimethylheptyl)-2-[(1r,3s)-3-hydroxycyclohexyl]-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O2
Net Charge0
Average Mass318.501
Monoisotopic Mass318.25588
SMILES[H][C@@]1(c2ccc(C(C)(C)CCCCCC)cc2O)CCC[C@H](O)C1
InChIInChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m1/s1
InChIKeyZWWRREXSUJTKNN-AEFFLSMTSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Phenol, 5-(1,1-dimethylheptyl)-2-[(1r,3s)-3-hydroxycyclohexyl]- (CHEBI:191114) is a alkylbenzene (CHEBI:38976)
Phenol, 5-(1,1-dimethylheptyl)-2-[(1r,3s)-3-hydroxycyclohexyl]- (CHEBI:191114) is a ring assembly (CHEBI:36820)
IUPAC Name 
2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
Manual XrefsDatabases
111910ChemSpider
Registry NumbersSources
CAS:70434-82-1ChemIDplus