input word = C00029745

Metabolite InformationStructural formula
Name Asparagoside E
Formula C45H76O19
Mw 920.49808025
CAS RN 60267-25-6
C_ID C00029745 ,
InChIKey STAKUOVRJNVEFG-UHFFFAOYNA-N
InChICode InChI=1S/C45H76O19/c1-19(18-58-40-36(54)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-38(56)39(33(51)29(17-48)62-42)63-41-37(55)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20+,21+,22+,23+,24-,25-,26+,27-,28-,29-,30+,31-,32+,33-,34+,35+,36+,37-,38+,39+,40+,41+,42+,43-,44+,45-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@@](C1)([C@H]1[C@H](CC2)[C@@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]([C@H]1C)(O)CC[C@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis L. Ref.
PlantaeSmilacaceaeSmilax aspera subsp.mauritanica (POIR.) ARCANG. Ref.
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