RefMet Compound Details

MW structure45579 (View MW Metabolite Database details)
RefMet namealpha-(p-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene)
Systematic name4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(cc1)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass206.167065 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC14H22OView other entries in RefMet with this formula
InChI
InChIKeyISAVYTVYFVQUDY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassPhenylpropanes
Pubchem CID8814
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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