RefMet Compound Details

MW structure42577 (View MW Metabolite Database details)
RefMet nameVitamin C
Systematic nameL-ascorbic acid
SMILESC([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass176.032090 (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
FormulaC6H8O6View other entries in RefMet with this formula
InChIKeyCIWBSHSKHKDKBQ-JLAZNSOCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassLactones
Sub ClassGamma butyrolactones
Pubchem CID54670067
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)