input word = C00063896

Metabolite InformationStructural formula
Name Dioscoreanoside E
Formula C45H72O19
Mw 916.46678012
CAS RN 1469752-68-8
C_ID C00063896
InChIKey CSLKEIOWCHSLMB-KWLNTPJSSA-N
InChICode InChI=1S/C45H72O19/c1-18-29(48)30(49)33(52)38(58-18)62-36-19(2)59-39(34(53)31(36)50)63-37-26(16-46)61-40(35(54)32(37)51)60-22-9-11-41(4)21(13-22)7-8-23-24(41)10-12-42(5)25(23)14-28-45(42,56)20(3)44(64-28)15-27(47)43(6,55)17-57-44/h7,18-20,22-40,46-56H,8-17H2,1-6H3/t18-,19-,20+,22-,23+,24-,25-,26+,27+,28-,29-,30+,31-,32+,33+,34+,35+,36-,37+,38-,39-,40+,41-,42-,43+,44+,45+/m0/s1
SMILES CC1OC(OC2C(C)OC(OC3C(CO)OC(OC4CCC5(C)C(=CCC6C5CCC5(C)C6CC6OC7(CC(O)C(C)(O)CO7)C(C)C65O)C4)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
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