input word = C00030399

Metabolite InformationStructural formula
Name Ginsenoside Rg2
Panaxoside Rg2
Formula C42H72O13
Mw 784.49729239
CAS RN 52286-74-5
C_ID C00030399 ,
InChIKey AGBCLJAHARWNLA-YVTWETOANA-N
InChICode InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1
SMILES CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax quinquefolia Ref.
PlantaeAraliaceaePanax quinquefolium Ref.
PlantaeAraliaceaePanax quinquefolium L. Ref.
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OrganismPanax quinquefolium L.
ReferenceNakamura,Chem.Pharm.Bull.,55,(2007),1342