input word = C00032872

Metabolite InformationStructural formula
Name Cussosaponin A
(-)-Cussosaponin A
Formula C47H76O17
Mw 912.508251
CAS RN 475598-89-1
C_ID C00032872 ,
InChIKey KUODZSOHUGMIAC-WWEQVQRSNA-N
InChICode InChI=1S/C47H76O17/c1-21(2)22-10-15-47(42(58)64-41-38(35(55)33(53)26(19-49)61-41)63-39-36(56)31(51)24(50)20-59-39)17-16-45(6)23(30(22)47)8-9-28-44(5)13-12-29(43(3,4)27(44)11-14-46(28,45)7)62-40-37(57)34(54)32(52)25(18-48)60-40/h22-41,48-57H,1,8-20H2,2-7H3/t22-,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46+,47-/m0/s1
SMILES [C@@]12([C@H]([C@@H]3[C@@](CC1)([C@]1([C@H](CC3)[C@@]3([C@@H](CC1)C([C@H](CC3)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C)C)C)C)[C@@H](CC2)C(=C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCussonia racemosa BAKER Ref.
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