RefMet Compound Details

MW structure38244 (View MW Metabolite Database details)
RefMet nameShikimic acid
Systematic name(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
SMILESO=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass174.052825 (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
FormulaC7H10O5View other entries in RefMet with this formula
InChIKeyJXOHGGNKMLTUBP-HSUXUTPPSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassPhenolic acids
Sub ClassPhenolic acids
Pubchem CID8742
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)