RefMet Compound Details

MW structure37916 (View MW Metabolite Database details)
RefMet nameSalicylic acid
Systematic name2-hydroxybenzoic acid
SMILESc1ccc(c(c1)C(=O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass138.031695 (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
FormulaC7H6O3View other entries in RefMet with this formula
InChIInChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyYGSDEFSMJLZEOE-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassPhenolic acids
Sub ClassPhenolic acids
Pubchem CID338
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo