input word = C00057701

Metabolite InformationStructural formula
Name Momordin IIa
Formula C48H76O18
Mw 940.50316563
CAS RN 95851-50-6
C_ID C00057701
InChIKey JYARCYFXDPRTFI-LFBPAFKNSA-N
InChICode InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-33(55)31(53)30(52)25(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)36(34(56)37(65-41)38(58)60-8)64-39-32(54)29(51)24(50)21-61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
SMILES O[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3C(C)(C)[C@@](CC[C@]4(C)[C@]5([H])CC=C6[C@@]4(C)CC[C@]7(C(O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)=O)[C@@]6([H])CC(C)(C)CC7)([H])[C@]5(C)CC3)O[C@H](C(OC)=O)[C@H]2O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica cochinchinensis Ref.
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