input word = C00033782

Metabolite InformationStructural formula
Name Dioseptemloside E
(-)-Dioseptemloside E
Formula C45H72O17
Mw 884.47695088
CAS RN 1023928-62-2
C_ID C00033782 ,
InChIKey ICMCTYWHYLOACT-YOZTUOAGNA-N
InChICode InChI=1S/C45H72O17/c1-18-7-12-45(55-17-18)19(2)30-27(62-45)15-25-29-24(9-11-44(25,30)6)43(5)10-8-23(13-22(43)14-26(29)47)58-42-39(61-41-36(53)34(51)32(49)21(4)57-41)37(54)38(28(16-46)59-42)60-40-35(52)33(50)31(48)20(3)56-40/h14,18-21,23-42,46-54H,7-13,15-17H2,1-6H3/t18-,19+,20+,21+,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](CC2=C[C@@H]([C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OC[C@@H](CC1)C)C)C)O)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)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea septemloba Ref.
zoom in