RefMet Compound Details

MW structure49878 (View MW Metabolite Database details)
RefMet nameMethyl beta-D-galactoside
Systematic name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass194.079040 (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
FormulaC7H14O6View other entries in RefMet with this formula
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
InChIKeyHOVAGTYPODGVJG-VOQCIKJUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassHexoses
Pubchem CID94214
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo