RefMet Compound Details

MW structure38193 (View MW Metabolite Database details)
RefMet name1,5-Anhydrosorbitol
Systematic name(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass164.068475 (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
FormulaC6H12O5View other entries in RefMet with this formula
InChIKeyMPCAJMNYNOGXPB-SLPGGIOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassHexoses
Pubchem CID64960
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)