RefMet Compound Details

MW structure44013 (View MW Metabolite Database details)
RefMet nameSaccharin
Systematic name2,3-dihydro-1$l^{6},2-benzothiazole-1,1,3-trione
SMILESO=C1NS(=O)(=O)c2ccccc21   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass182.999016 (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
FormulaC7H5NO3SView other entries in RefMet with this formula
InChIKeyCVHZOJJKTDOEJC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassBenzothiazoles
Sub ClassBenzothiazoles
Pubchem CID5143
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)