input word = C00033882

Metabolite InformationStructural formula
Name Ginsenoside Rs1
Formula C55H92O23
Mw 1120.60293925
CAS RN 87733-67-3
C_ID C00033882 ,
InChIKey HAJTYGKLQDXTPO-KOXAOKRUNA-N
InChICode InChI=1S/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)39(63)31(75-49)23-72-47-43(67)36(60)28(59)21-71-47)26-12-17-54(8)35(26)27(58)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)37(61)29(20-56)73-50)77-48-44(68)40(64)38(62)30(74-48)22-70-25(3)57/h11,26-50,56,58-69H,10,12-23H2,1-9H3/t26-,27+,28-,29+,30+,31+,32-,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47+,48-,49-,50-,52-,53+,54+,55-/m0/s1
SMILES CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@@H]6[C@@H](C(C)(CCC=C(C)C)O[C@@H]7O[C@H](CO[C@H]8OC[C@@H](O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng C.A.Meyer Ref.
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OrganismPanax ginseng C.A.Meyer
ReferenceCheng,Phytochem.,69,(2008),218