input word = C00024130

Metabolite InformationStructural formula
Name Chinenoside II
Formula C49H78O22
Mw 1018.49847418
CAS RN 172589-64-9
C_ID C00024130 ,
InChIKey ALMJXWPCHVBUTP-KIOLTHIMNA-N
InChICode InChI=1S/C49H78O22/c1-19(15-63-45-41(61)37(57)36(56)31(14-50)69-45)5-6-29-20(2)33-30(68-29)13-24-22-12-26(51)25-11-21(7-9-48(25,3)23(22)8-10-49(24,33)4)67-47-42(62)38(58)43(71-46-40(60)35(55)28(53)17-65-46)32(70-47)18-66-44-39(59)34(54)27(52)16-64-44/h19,21-25,27-28,30-47,50,52-62H,5-18H2,1-4H3/t19-,21+,22-,23+,24+,25-,27-,28-,30+,31-,32-,33+,34-,35+,36-,37+,38-,39-,40+,41-,42-,43-,44-,45-,46+,47-,48-,49+/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)CC[C@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O)CO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium chinense G.DON Ref.
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