input word = C00056661

Metabolite InformationStructural formula
Name Ginsenoside Km
Formula C36H62O10
Mw 654.4342982
CAS RN 1219447-72-9
C_ID C00056661
InChIKey TWCUVWJHRWJQNE-USRQKLRVSA-N
InChICode InChI=1S/C36H62O10/c1-19(17-37)9-14-36(7,46-31-29(43)28(42)27(41)23(18-38)45-31)20-10-13-34(5)26(20)21(39)15-24-33(4)12-11-25(44-8)32(2,3)30(33)22(40)16-35(24,34)6/h9,20-31,37-43H,10-18H2,1-8H3/b19-9+/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31-,33+,34+,35+,36-/m0/s1
SMILES CO[C@@H]1C(C)([C@@]([H])([C@@]2(CC1)C)[C@@H](O)C[C@@]3([C@@]2(C[C@@H](O)[C@@]4([H])[C@]3(CC[C@@]4([C@@](C/C=C(CO)C)(C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[H])C)[H])C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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OrganismPanax ginseng
ReferenceTung, N.H. et al., Chem. Pharm. Bull., 2009, 57, 1412-1414 (Ginsenosides Ki,Km)