RefMet Compound Details

MW structure51531 (View MW Metabolite Database details)
RefMet nameL-Dehydroascorbic acid
Systematic name(5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione
SMILESC([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass174.016440 (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
FormulaC6H6O6View other entries in RefMet with this formula
InChIKeySBJKKFFYIZUCET-JLAZNSOCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassLactones
Sub ClassGamma butyrolactones
Pubchem CID440667
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)