input word = C00056737

Metabolite InformationStructural formula
Name Medicoside H
Formula C47H74O19
Mw 942.48243018
CAS RN 125448-43-3
C_ID C00056737
InChIKey HLNPLLKKVMGOKC-KDYQPBAUSA-N
InChICode InChI=1S/C47H74O19/c1-20-28(51)31(54)33(56)37(62-20)64-35-29(52)24(50)19-61-39(35)66-41(60)47-14-12-42(2,3)16-22(47)21-8-9-26-43(4)17-23(49)36(65-38-34(57)32(55)30(53)25(18-48)63-38)46(7,40(58)59)27(43)10-11-45(26,6)44(21,5)13-15-47/h8,20,22-39,48-57H,9-19H2,1-7H3,(H,58,59)/t20-,22-,23-,24-,25+,26+,27+,28-,29-,30+,31+,32-,33+,34+,35+,36-,37-,38-,39+,43+,44+,45+,46-,47-/m0/s1
SMILES C[C@]12[C@@]3(CC[C@]4([C@@](C)([C@H]([C@@H](O)C[C@]4(C)[C@@]3([H])CC=C1[C@@]5([H])[C@@](CCC(C)(C)C5)(C(O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)=O)CC2)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[H])C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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