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 C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2=O)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)OC(=C1C)[C@@H](C[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)C)C)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)CO[C@@H]1OC[C@H]([C@H]([C@@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium chinense G.DON Ref.
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