input word = C00029747

Metabolite InformationStructural formula
Name Asparoside B
Asparagusin A
Formula C44H72O17
Mw 872.47695088
CAS RN 301643-62-9
C_ID C00029747 ,
InChIKey FMQVOTMSKVVBPL-BQQUHVIFNA-N
InChICode InChI=1S/C44H72O17/c1-19(17-55-40-37(53)34(50)33(49)29(15-45)59-40)5-8-27-20(2)31-28(58-27)14-25-23-7-6-21-13-22(9-11-43(21,3)24(23)10-12-44(25,31)4)57-42-38(54)35(51)39(30(16-46)60-42)61-41-36(52)32(48)26(47)18-56-41/h19,21-26,28-42,45-54H,5-18H2,1-4H3/t19-,21+,22-,23+,24-,25-,26+,28-,29+,30+,31-,32-,33+,34-,35+,36+,37+,38+,39+,40+,41-,42+,43-,44-/m0/s1
SMILES CC1=C(CC[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[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](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
PlantaeAsparagaceaeAsparagus filicinus Ref.
PlantaeSmilacaceaeSmilax aspera subsp.mauritanica (POIR.) ARCANG. Ref.
zoom in