input word = C00033236

Metabolite InformationStructural formula
Name Myrioside A
(-)-Myrioside A
Formula C46H78O18
Mw 918.51881569
CAS RN 471913-91-4
C_ID C00033236 ,
InChIKey LWKAIMUNJIZHDW-XMOAQENSNA-N
InChICode InChI=1S/C46H78O18/c1-21(22-10-11-43(7)35-23(49)14-26-40(2,3)28(51)15-29(52)46(26)18-44(35,46)13-12-42(22,43)6)8-9-27(50)41(4,5)64-38-33(56)31(54)34(24(16-47)61-38)63-37-32(55)30(53)25(17-59-37)62-39-36(57)45(58,19-48)20-60-39/h21-39,47-58H,8-20H2,1-7H3/t21-,22-,23+,24-,25-,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37+,38+,39+,42-,43+,44+,45-,46-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@]3([C@H]1O)[C@]1([C@@H]([C@H](C2)O)[C@]2([C@](CC1)([C@H](CC2)[C@@H](CC[C@@H](C(O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O[C@H]1[C@@H]([C@@](CO1)(O)CO)O)O)O)CO)(C)C)O)C)C)C)C3)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeOxytropis myriophylla Ref.
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