input word = C00038628

Metabolite InformationStructural formula
Name Brachyoside C
(+)-Brachyoside C
Formula C47H80O19
Mw 948.52938038
CAS RN 215776-56-0
C_ID C00038628 ,
InChIKey VISHOKYOGNPUOM-WJRSDFHONA-N
InChICode InChI=1S/C47H80O19/c1-20(8-9-28(43(4,5)60)66-41-37(59)34(56)32(54)25(17-49)64-41)29-21(50)15-45(7)26-14-23(62-40-36(58)33(55)31(53)24(16-48)63-40)38-42(2,3)27(65-39-35(57)30(52)22(51)18-61-39)10-11-47(38)19-46(26,47)13-12-44(29,45)6/h20-41,48-60H,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-,41+,44-,45+,46+,47-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](C[C@@H]2O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)[C@]2([C@](CC1)([C@H]([C@H](C2)O)[C@H](C)CC[C@H](O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(C)(C)O)C)C)C3)(C)C)O[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus brachypterus Ref.
PlantaeFabaceaeAstragalus trojanus Ref.
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