input word = C00037721

Metabolite InformationStructural formula
Name Latifoloside B
(-)-Latifoloside B
Randiasaponin V
(-)-Randiasaponin V
Formula C47H76O17
Mw 912.508251
CAS RN 55965-03-2
C_ID C00037721 ,
InChIKey UJSPEUFZQCLQRS-ZPGYARKXNA-N
InChICode InChI=1S/C47H76O17/c1-21-29(50)32(53)34(55)38(60-21)63-36-30(51)23(49)20-59-40(36)62-27-12-13-44(6)25(43(27,4)5)11-14-46(8)26(44)10-9-22-28-37(57)42(2,3)15-17-47(28,18-16-45(22,46)7)41(58)64-39-35(56)33(54)31(52)24(19-48)61-39/h9,21,23-40,48-57H,10-20H2,1-8H3/t21-,23-,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36+,37-,38-,39-,40-,44-,45+,46+,47-/m0/s1
SMILES C1(CC[C@]2([C@@H]([C@@H]1O)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex latifolia Ref.
PlantaeRubiaceaeRandia formosa Ref.
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