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@]12([C@@]([C@H]3[C@@]4(CC1)[C@@]1([C@@H]([C@H](C3)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)C([C@H](CC1)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)(C)C)C4)(C)C[C@@H]([C@@H]2[C@@H](CC[C@@H](C(C)(C)O)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus brachypterus Ref.
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