input word = C00056627

Metabolite InformationStructural formula
Name Floralginsenoside Kc
Formula C45H76O20
Mw 936.49299487
CAS RN 1205537-49-0
C_ID C00056627
InChIKey VOZBOWVVIGIJBC-JYKURVCKSA-N
InChICode InChI=1S/C45H76O20/c1-41(2)25-8-12-43(4)26(13-21(51)28-20(7-11-44(28,43)5)45(6,14-19(50)15-46)65-39-36(59)33(56)30(53)23(17-48)61-39)42(25,3)10-9-27(41)63-40-37(34(57)31(54)24(18-49)62-40)64-38-35(58)32(55)29(52)22(16-47)60-38/h15,19-40,47-59H,7-14,16-18H2,1-6H3/t19?,20-,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 [H][C@]1([C@@](CC(O)C=O)(C)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])C(C)(C)[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC[C@]5(C)[C@@]4([H])C[C@@H](O)[C@@]31[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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