input word = C00056878

Metabolite InformationStructural formula
Name Neopuerarin A
Formula C21H20O9
Mw 416.11073224
CAS RN 1150314-34-3
C_ID C00056878
InChIKey ANUVQPJCPQLESC-OMFXLVFUSA-N
InChICode InChI=1S/C21H20O9/c22-7-14(25)20-17(27)18(28)21(30-20)15-13(24)6-5-11-16(26)12(8-29-19(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-18,20-25,27-28H,7H2/t14-,17-,18-,20-,21-/m1/s1
SMILES O=C1C2=CC=C(O)C([C@H]3O[C@]([H])([C@H](O)CO)[C@H](O)[C@H]3O)=C2OC=C1C4=CC=C(O)C=C4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria lobata Ref.
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