RefMet Compound Details

MW structure38012 (View MW Metabolite Database details)
RefMet nameSyringic acid
Systematic name4-hydroxy-3,5-dimethoxybenzoic acid
SMILESCOc1cc(cc(OC)c1O)C(O)=O
Exact mass198.052825 (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
FormulaC9H10O5View other entries in RefMet with this formula
InChIInChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
InChIKeyJMSVCTWVEWCHDZ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzoic acids
Sub ClassBenzoic acids
Pubchem CID10742
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo