RefMet Compound Details

RefMet IDRM0187039
MW structure24551 (View MW Metabolite Database details)
RefMet nameNobiletin
Systematic name2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
SMILESCOc1ccc(cc1OC)c1cc(=O)c2c(c(c(c(c2o1)OC)OC)OC)OC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass402.131470 (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
FormulaC21H22O8View other entries in RefMet with this formula
InChI
InChIKeyMRIAQLRQZPPODS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassFlavones and Flavonols
Pubchem CID72344
ChEBI ID7602
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo