RefMet Compound Details

MW structure23004 (View MW Metabolite Database details)
RefMet nameCalophyllolide
Systematic name5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-phenylpyrano[2,3-f]chromen-8-one
SMILESC/C=C(\C)/C(=O)c1c(c2C=CC(C)(C)Oc2c2c(cc(=O)oc12)c1ccccc1)OC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass416.162375 (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
FormulaC26H24O5View other entries in RefMet with this formula
InChIInChI=1S/C26H24O5/c1-6-15(2)22(28)21-23(29-5)17-12-13-26(3,4)31-24(17)20-18(14-19(27)30-25(20)21)16-10-8-7-9-11-16/h6-14H,1-5H3/b1
5-6+
InChIKeyPMBLOLOJQZPEND-GIDUJCDVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassCoumarins
Pubchem CID5281392
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo