input word = C00019513

Metabolite InformationStructural formula
Name Thonninginisoflavone
5,4'-Dimethoxy-5''-(1-methylethenyl)-4'',5''-dihydrofurano[2'',3'':7,6]isoflavone
Formula C22H20O5
Mw 364.13107375
CAS RN 165253-36-1
C_ID C00019513 ,
InChIKey UACWGZSIRIJDHW-AGDOHHJYNA-N
InChICode InChI=1S/C22H20O5/c1-12(2)17-9-15-18(27-17)10-19-20(22(15)25-4)21(23)16(11-26-19)13-5-7-14(24-3)8-6-13/h5-8,10-11,17H,1,9H2,2-4H3/t17-/m0/s1
SMILES c12c(c(c3c(c1)occ(c3=O)c1ccc(cc1)OC)OC)C[C@H](O2)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia thonningii Ref.
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OrganismMillettia thonningii
ReferenceAsomaning,Phytochem.,39,(1995),1215