RefMet Compound Details

MW structure38759 (View MW Metabolite Database details)
RefMet nameTetrahydrocurcumin
Systematic name1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione
SMILESCOc1cc(CCC(=O)CC(=O)CCc2ccc(c(c2)OC)O)ccc1O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass372.157290 (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
FormulaC21H24O6View other entries in RefMet with this formula
InChIInChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2
H3
InChIKeyLBTVHXHERHESKG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassLinear diarylheptanoids
Sub ClassCurcuminoids
Pubchem CID124072
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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