RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0137180
RefMet nameTocopherol acetate
Systematic name[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] acetate
SynonymsPubChem Synonyms
Exact mass472.391646 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC31H52O3View other entries in RefMet with this formula
Molecular descriptors
Molfile67964 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-2
0H2,1-9H3/t22-,23-,31-/m1/s1
InChIKeyZAKOWWREFLAJOT-CEFNRUSXSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(c(C)c(C)c2O1)OC(=O)C
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Chemical/Biochemical Classification
Super ClassPrenol Lipids
Main ClassQuinones and hydroquinones
Sub ClassVitamin E
Distribution of Tocopherol acetate in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Tocopherol acetate
External Links
Pubchem CID86472
ChEBI ID32321
KEGG IDC13202
HMDB IDHMDB0034227
Spectral data for Tocopherol acetate standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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