RefMet Compound Details

RefMet IDRM0135285
MW structure27199 (View MW Metabolite Database details)
RefMet nameSophoranone
Systematic name(2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SMILESCC(=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]1CC(=O)c2ccc(c(CC=C(C)C)c2O1)O)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass460.261360 (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
FormulaC30H36O4View other entries in RefMet with this formula
InChIInChI=1S/C30H36O4/c1-18(2)7-10-21-15-23(16-22(29(21)33)11-8-19(3)4)28-17-27(32)25-13-14-26(31)24(30(25)34-28)12-9-20(5)6/h7-9,13-1
6,28,31,33H,10-12,17H2,1-6H3/t28-/m0/s1
InChIKeyIORSRBKNYXPSDO-NDEPHWFRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassFlavanones
Pubchem CID441767
ChEBI ID9199
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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