RefMet Compound Details

MW structure37957 (View MW Metabolite Database details)
RefMet name3-Aminosalicylic acid
Systematic name3-amino-2-hydroxybenzoic acid
SMILESNc1cccc(C(O)=O)c1O
Exact mass153.042594 (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
FormulaC7H7NO3View other entries in RefMet with this formula
InChIInChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)
InChIKeyIQGMRVWUTCYCST-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzoic acids
Sub ClassBenzoic acids
Pubchem CID68443
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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