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 bidentata Ref.
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
PlantaeAraliaceaePanax ginseng C.A.Meyer Ref.
PlantaeAraliaceaePanax japonicum Ref.
PlantaeAraliaceaePanax pseudoginseng subsp.himalaicus.var.angustifolius. Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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