input word = C00020644

Metabolite InformationStructural formula
Name Lupinisoflavone E
Formula C25H26O7
Mw 438.16785319
CAS RN 93373-44-5
C_ID C00020644 ,
InChIKey IKQKRLWGUMCUMA-UHFFFAOYNA-N
InChICode InChI=1S/C25H26O7/c1-24(2,28)19-8-13-7-12(5-6-16(13)31-19)15-11-30-18-10-17-14(22(26)21(18)23(15)27)9-20(32-17)25(3,4)29/h5-7,10-11,19-20,26,28-29H,8-9H2,1-4H3/t19-,20+/m0/s1
SMILES c12c(c(c3c(c1)occ(c3=O)c1ccc3c(c1)C[C@H](O3)C(O)(C)C)O)C[C@@H](O2)C(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLupinus albus Ref.
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