RefMet Compound Details

RefMet IDRM0128485
MW structure73647 (View MW Metabolite Database details)
RefMet nameChalcone
Systematic name(2E)-1,3-diphenylprop-2-en-1-one
SMILESc1ccc(cc1)/C=C/C(=O)c1ccccc1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass208.088815 (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
FormulaC15H12OView other entries in RefMet with this formula
InChIInChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKeyDQFBYFPFKXHELB-VAWYXSNFSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassChalcones
Pubchem CID637760
ChEBI ID48965
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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