input word = C00033778

Metabolite InformationStructural formula
Name Dioseptemloside A
(-)-Dioseptemloside A
Formula C45H74O18
Mw 902.48751556
CAS RN 1023928-58-6
C_ID C00033778 ,
InChIKey AZICCRBSLKIQBR-MLTMRJDPNA-N
InChICode InChI=1S/C45H74O18/c1-18(2)7-10-26(48)19(3)31-27(60-43-38(56)35(53)33(51)28(16-46)61-43)14-25-23-9-8-21-13-22(11-12-44(21,5)24(23)15-30(49)45(25,31)6)59-42-39(57)36(54)40(29(17-47)62-42)63-41-37(55)34(52)32(50)20(4)58-41/h8,18-20,22-29,31-43,46-48,50-57H,7,9-17H2,1-6H3/t19-,20+,22+,23-,24+,25+,26+,27+,28-,29-,31+,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42-,43-,44+,45-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC(=O)[C@]1([C@H]3C[C@@H]([C@@H]1[C@@H]([C@H](CCC(C)C)O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)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.
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