RefMet Compound Details

MW structure199682 (View MW Metabolite Database details)
RefMet name4-Allylphenol sulfate
Systematic name(4-allylphenyl) hydrogen sulfate
SMILESC=CCc1ccc(cc1)OS(=O)(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass214.029982 (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
FormulaC9H10O4SView other entries in RefMet with this formula
InChI
InChIKeyKFDHKOFCRYUXLA-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassPhenylpropanoids
Sub ClassCinnamic acids
Pubchem CID66633409
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo