input word = C00056879

Metabolite InformationStructural formula
Name Neopuerarin B
Formula C21H20O9
Mw 416.11073224
CAS RN 1150314-39-8
C_ID C00056879
InChIKey ANUVQPJCPQLESC-BUQAOYBGSA-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=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H]([C@H](O)CO)[C@H](O)[C@H]3O)c(O)ccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria lobata Ref.
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