RefMet Compound Details

MW structure38160 (View MW Metabolite Database details)
RefMet nameSumiki's acid
Systematic name5-(hydroxymethyl)furan-2-carboxylic acid
SMILESc1cc(C(=O)O)oc1CO   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass142.026610 (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
FormulaC6H6O4View other entries in RefMet with this formula
InChIKeyPCSKKIUURRTAEM-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassFuroic acids
Sub ClassFuroic acid derivatives
Pubchem CID80642
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)