input word = C00037720

Metabolite InformationStructural formula
Name Latifoloside A
(-)-Latifoloside A
Randiasaponin IV
(-)-Randiasaponin IV
Formula C47H76O17
Mw 912.508251
CAS RN 55965-02-1
C_ID C00037720 ,
InChIKey WZIPJKRPXMPATM-ZHYLKUAYNA-N
InChICode InChI=1S/C47H76O17/c1-21-11-16-47(41(57)64-39-35(56)33(54)31(52)25(19-48)61-39)18-17-44(6)23(37(47)46(21,8)58)9-10-27-43(5)14-13-28(42(3,4)26(43)12-15-45(27,44)7)62-40-36(30(51)24(49)20-59-40)63-38-34(55)32(53)29(50)22(2)60-38/h9,21-22,24-40,48-56,58H,10-20H2,1-8H3/t21-,22+,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@H]1(CC[C@]2([C@@H]([C@]1(C)O)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudincha Ref.
PlantaeAquifoliaceaeIlex latifolia Ref.
PlantaeRubiaceaeRandia formosa Ref.
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