RefMet Compound Details

RefMet IDRM0118487
MW structure28117 (View MW Metabolite Database details)
RefMet nameThymol
Systematic name5-methyl-2-propan-2-ylphenol
SMILESCC(C)c1ccc(C)cc1O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass150.104465 (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
FormulaC10H14OView other entries in RefMet with this formula
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChIKeyMGSRCZKZVOBKFT-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC10 isoprenoids
Pubchem CID6989
ChEBI ID27607
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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