input word = C00033810

Metabolite InformationStructural formula
Name Elephanoside E
(-)-Elephanoside E
Formula C45H76O20
Mw 936.49299487
CAS RN 1005340-22-6
C_ID C00033810 ,
InChIKey OECBZCPEYQGOIL-RFKXAARONA-N
InChICode InChI=1S/C45H76O20/c1-18(17-59-40-37(56)34(53)31(50)26(14-46)61-40)7-10-45(58)19(2)30-25(65-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)60-42-39(36(55)33(52)28(16-48)63-42)64-41-38(57)35(54)32(51)27(15-47)62-41/h18-42,46-58H,5-17H2,1-4H3/t18-,19+,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 C[C@H](CCC1(O)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](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeYucca elephantipes Regel. Ref.
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