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 C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@]([C@@H](C1)O)([C@@H]1[C@H](C2)O[C@]([C@H]1C)(O)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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeYucca elephantipes Regel. Ref.
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