input word = C00033110

Metabolite InformationStructural formula
Name Ilekudinoside E
Randiasaponin III
Latifoloside L
(-)-Latifoloside L
(-)-Randiasaponin III
Formula C47H76O18
Mw 928.50316563
CAS RN 243635-66-7
C_ID C00033110 ,
InChIKey RJERVICEUNVSDW-QBXGXWALNA-N
InChICode InChI=1S/C47H76O18/c1-21-10-15-47(41(58)65-40-34(56)32(54)30(52)25(19-49)62-40)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-38-35(57)36(23(50)20-60-38)64-39-33(55)31(53)29(51)24(18-48)61-39/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37-,38+,39+,40+,43+,44-,45-,46-,47+/m1/s1
SMILES C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudingcha Ref.
PlantaeAquifoliaceaeIlex latifolia THUNB Ref.
PlantaeRubiaceaeRandia formosa Ref.
zoom in



OrganismIlex kudingcha
ReferenceNishimura, et al., Journal of Natural Products, 62, (1999), 1128