input word = C00029947

Metabolite InformationStructural formula
Name Chikusetsusaponin V
Chikusetsusaponin 5
Ginsenoside Ro
Polysciasaponin P3
Formula C48H76O19
Mw 956.49808025
CAS RN 34367-04-9
C_ID C00029947 ,
InChIKey NFZYDZXHKFHPGA-ZJUVOWTANA-N
InChICode InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)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]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)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
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
PlantaeAraliaceaePanax ginseng C.A.Meyer Ref.
PlantaeAraliaceaePanax japonicum Ref.
PlantaeAraliaceaePanax pseudoginseng subsp.himalaicus.var.angustifolius. Ref.
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OrganismPanax ginseng C.A.Meyer
ReferenceCheng,Phytochem.,69,(2008),218