RefMet Compound Details

MW structure52837 (View MW Metabolite Database details)
RefMet name2-Aminobenzenesulfonic acid
Systematic name2-aminobenzenesulfonic acid
SMILESc1ccc(c(c1)N)S(=O)(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass173.014666 (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
FormulaC6H7NO3SView other entries in RefMet with this formula
InChIKeyZMCHBSMFKQYNKA-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassBenzenesulfonic acids
Pubchem CID6926
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)