RefMet Compound Details

MW structure38768 (View MW Metabolite Database details)
RefMet nameGallic acid
Systematic name3,4,5-trihydroxybenzoic acid
SMILESOC(=O)c1cc(O)c(O)c(O)c1
Exact mass170.021525 (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
FormulaC7H6O5View other entries in RefMet with this formula
InChIInChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChIKeyLNTHITQWFMADLM-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzoic acids
Sub ClassGallic acids
Pubchem CID370
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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