input word = C00056384

Metabolite InformationStructural formula
Name Kuguaglycoside F
Formula C43H72O13
Mw 796.49729239
CAS RN 1041631-96-2
C_ID C00056384
InChIKey WODOXUDUVPKANZ-QSSDHRFESA-N
InChICode InChI=1S/C43H72O13/c1-21(2)16-23(53-38-35(50)33(48)31(46)28(19-44)54-38)17-22(3)24-12-13-43(8)37-27(52-9)18-26-25(41(37,6)14-15-42(24,43)7)10-11-30(40(26,4)5)56-39-36(51)34(49)32(47)29(20-45)55-39/h16,18,22-25,27-39,44-51H,10-15,17,19-20H2,1-9H3/t22-,23?,24-,25-,27+,28-,29-,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,41+,42-,43+/m1/s1
SMILES O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H](C2(C)C)CC[C@@](C2=C3)([H])[C@@]4(C)[C@@]([C@@](CC[C@]5([H])[C@H](C)CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)/C=C(C)/C)(C)[C@]5(C)CC4)([H])[C@H]3OC)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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