RefMet Compound Details

MW structure37345 (View MW Metabolite Database details)
RefMet nameGlucosan
Systematic name(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
SMILESO[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass162.052825 (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
FormulaC6H10O5View other entries in RefMet with this formula
InChIKeyTWNIBLMWSKIRAT-VFUOTHLCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassOxepanes
Sub ClassOxepanes
Pubchem CID2724705
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)