input word = C00019249

Metabolite InformationStructural formula
Name Millewanin B
5,7,4'-Trihydroxy-3'-methoxy-5'-((2E)-3,7-dimethyl-2,6-octadienyl)-2'-prenylisoflavone
Formula C31H36O6
Mw 504.25118888
CAS RN 286462-31-5
C_ID C00019249 ,
InChIKey UTABQRUZJVAFBL-RGVLZGJSSA-N
InChICode InChI=1S/C31H36O6/c1-18(2)8-7-9-20(5)11-12-21-14-24(23(13-10-19(3)4)31(36-6)29(21)34)25-17-37-27-16-22(32)15-26(33)28(27)30(25)35/h8,10-11,14-17,32-34H,7,9,12-13H2,1-6H3/b20-11+
SMILES c1(cc(c2c(c1)occ(c2=O)c1c(c(c(c(c1)C/C=C(/CCC=C(C)C)\C)O)OC)CC=C(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia taiwaniana Ref.
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