input word = C00056386

Metabolite InformationStructural formula
Name Kuguaglycoside H
Formula C48H80O18
Mw 944.53446575
CAS RN 1041631-98-4
C_ID C00056386
InChIKey SGDVCSSMVKPGJN-ALOIUSADSA-N
InChICode InChI=1S/C48H80O18/c1-21(2)15-23(61-44-40(37(58)34(55)30(20-51)65-44)66-43-39(60)36(57)33(54)29(19-50)64-43)16-22(3)24-11-12-48(8)41-27(62-42-38(59)35(56)32(53)28(18-49)63-42)17-26-25(9-10-31(52)45(26,4)5)46(41,6)13-14-47(24,48)7/h15,17,22-25,27-44,49-60H,9-14,16,18-20H2,1-8H3/t22-,23?,24-,25-,27+,28-,29-,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,44-,46+,47-,48+/m1/s1
SMILES O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@]([C@@](CC[C@]3([H])[C@H](C)CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)/C=C(C)/C)(C)[C@]3(C)CC6)([H])[C@]6(C)[C@@](CC[C@H](O)C7(C)C)([H])C7=C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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