input word = C00056626

Metabolite InformationStructural formula
Name Floralginsenoside Kb
Formula C45H76O19
Mw 920.49808025
CAS RN 1205537-48-9
C_ID C00056626
InChIKey IGLJYCHASIODBT-VODKKTFRSA-N
InChICode InChI=1S/C45H76O19/c1-41(2)25-9-14-43(4)26(16-21(50)28-20(8-13-44(28,43)5)45(6,11-7-15-46)64-39-36(58)33(55)30(52)23(18-48)60-39)42(25,3)12-10-27(41)62-40-37(34(56)31(53)24(19-49)61-40)63-38-35(57)32(54)29(51)22(17-47)59-38/h15,20-40,47-58H,7-14,16-19H2,1-6H3/t20-,21+,22+,23+,24+,25-,26+,27-,28-,29+,30+,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,42-,43+,44+,45-/m0/s1
SMILES CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@](C)(CCC=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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