RefMet Compound Details

MW structure51260 (View MW Metabolite Database details)
RefMet name2-Dehydropantolactone
Systematic name4,4-dimethyl-4,5-dihydrofuran-2,3-dione
SMILESCC1(C)COC(=O)C1=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass128.047345 (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
FormulaC6H8O3View other entries in RefMet with this formula
InChIKeyHRTOQFBQOFIFEE-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassLactones
Sub ClassGamma butyrolactones
Pubchem CID39
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)