RefMet Compound Details

MW structure21383 (View MW Metabolite Database details)
RefMet namePelargonidin
Systematic name2-(4-hydroxyphenyl)chromenylium-3,5,7-triol
SMILESc1cc(ccc1c1c(cc2c(cc(cc2[o+]1)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass271.060650 (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
FormulaC15H11O5View other entries in RefMet with this formula
InChIKeyXVFMGWDSJLBXDZ-UHFFFAOYSA-OView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassAnthocyanidins
Pubchem CID440832
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)