RefMet Compound Details

MW structure51970 (View MW Metabolite Database details)
RefMet nameQuinic acid
Systematic name(1S,3R,4S,5R)-1,3,4,5-Tetrahydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass192.063390 (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
FormulaC7H12O6View other entries in RefMet with this formula
InChIKeyAAWZDTNXLSGCEK-WYWMIBKRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassPhenolic acids
Sub ClassPhenolic acids
Pubchem CID6508
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)