input word = C00056660

Metabolite InformationStructural formula
Name Ginsenoside Ki
Formula C36H62O10
Mw 654.4342982
CAS RN 1219447-71-8
C_ID C00056660
InChIKey TWCUVWJHRWJQNE-HRUAZROZSA-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]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@](C)(C/C=C(/C)CO)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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