input word = C00057698

Metabolite InformationStructural formula
Name Momordicoside II
Formula C47H74O18
Mw 926.48751556
CAS RN 95851-41-5
C_ID C00057698
InChIKey BAJBCZHVQXVBMJ-BEXQNKOFSA-N
InChICode InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-32(54)30(52)29(51)24(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)35(33(55)36(64-40)37(57)58)63-38-31(53)28(50)23(49)20-60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34+,35-,36-,38-,39-,40+,44-,45+,46+,47-/m0/s1
SMILES O=C(O)[C@H]([C@H]1O)O[C@@H](O[C@@H]2C(C)(C)[C@@](CC[C@]3(C)[C@]4([H])CC=C5[C@@]3(C)CC[C@]6(C(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)=O)[C@@]5([H])CC(C)(C)CC6)([H])[C@]4(C)CC2)[C@H](O)[C@H]1O[C@H]8[C@H](O)[C@@H](O)[C@@H](O)CO8
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica cochinchinensis Ref.
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