RefMet Compound Details

RefMet IDRM0136306
MW structure38864 (View MW Metabolite Database details)
RefMet namebeta-tocopherol   Species distribution   Sample source distribution
Systematic name(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(cc(C)c2O1)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass416.365430 (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
FormulaC28H48O2View other entries in RefMet with this formula
InChIInChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/
t21-,22-,28-/m1/s1
InChIKeyWGVKWNUPNGFDFJ-DQCZWYHMSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPrenol Lipids
Main ClassQuinones and hydroquinones
Sub ClassVitamin E
Pubchem CID6857447
ChEBI ID47771
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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