input word = C00050013

Metabolite InformationStructural formula
Name Brachyoside A
(+)-Brachyoside A
Formula C46H78O18
Mw 918.51881569
CAS RN 215776-45-7
C_ID C00050013 ,
InChIKey RWFULWGNOJLXHV-PMOZWDMHNA-N
InChICode InChI=1S/C46H78O18/c1-20(8-9-27(51)42(4,5)58)29-21(48)15-44(7)26-14-24(61-40-34(56)32(54)31(53)25(16-47)62-40)37-41(2,3)28(10-11-46(37)19-45(26,46)13-12-43(29,44)6)63-39-35(57)36(23(50)18-60-39)64-38-33(55)30(52)22(49)17-59-38/h20-40,47-58H,8-19H2,1-7H3/t20-,21+,22-,23-,24+,25-,26+,27+,28+,29+,30+,31-,32+,33-,34-,35-,36+,37+,38+,39+,40-,43-,44+,45+,46-/m1/s1
SMILES C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus brachypterus Ref.
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OrganismAstragalus brachypterus
ReferenceBedir,J.Nat.Prod.,61,(1998),1469