input word = C00024133

Metabolite InformationStructural formula
Name Chinenoside V
Formula C45H72O19
Mw 916.46678012
CAS RN 170739-22-7
C_ID C00024133 ,
InChIKey WDTQKOJLOMDSGJ-ODICKSDKNA-N
InChICode InChI=1S/C45H72O19/c1-18(15-58-42-38(56)35(53)33(51)29(14-47)63-42)9-20(13-46)40-19(2)31-28(62-40)12-24-22-11-26(48)25-10-21(5-7-44(25,3)23(22)6-8-45(24,31)4)61-43-39(57)36(54)34(52)30(64-43)17-60-41-37(55)32(50)27(49)16-59-41/h18,20-25,27-39,41-43,46-47,49-57H,5-17H2,1-4H3/t18-,20+,21+,22-,23+,24+,25-,27-,28+,29-,30+,31+,32-,33-,34-,35+,36-,37+,38-,39+,41+,42-,43-,44-,45+/m1/s1
SMILES CC1=C(C(CO)C[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@@H]6OC(CO[C@H]7OC[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)C(O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium chinense G.DON Ref.
zoom in