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 C[C@H](CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)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](OC5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus brachypterus Ref.
PlantaeFabaceaeAstragalus trojanus Ref.
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