input word = C00055425

Metabolite InformationStructural formula
Name Chikusetsusaponin III
Formula C47H80O17
Mw 916.53955113
CAS RN 29845-71-4
C_ID C00055425
InChIKey ZICDJKZDHVLVOD-OASCMOAHSA-N
InChICode InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,58)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-42-39(64-41-38(57)35(54)33(52)26(19-48)61-41)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42?,44-,45+,46+,47-/m0/s1
SMILES O[C@](CC/C=C(C)/C)(C)[C@@]1([H])CC[C@@]2(C)[C@]3(C)CC[C@@]4([H])C(C)(C)[C@@H](OC5[C@H](O[C@@]6([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)O5)CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@@]21[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
zoom in