input word = C00063895

Metabolite InformationStructural formula
Name Dioscoreanoside D
Formula C51H82O23
Mw 1062.52468893
CAS RN 1469752-67-7
C_ID C00063895
InChIKey LKZCMVLVDAPSEP-JAPHPUHISA-N
InChICode InChI=1S/C51H82O23/c1-19-31(54)33(56)36(59)43(66-19)71-40-21(3)68-45(38(61)35(40)58)72-41-28(17-52)70-46(42(39(41)62)73-44-37(60)34(57)32(55)20(2)67-44)69-24-10-12-48(6)23(14-24)8-9-25-26(48)11-13-49(7)27(25)15-30-50(49,64)22(4)51(74-30)29(53)16-47(5,63)18-65-51/h8,19-22,24-46,52-64H,9-18H2,1-7H3/t19-,20-,21-,22-,24-,25+,26-,27-,28+,29-,30-,31-,32-,33+,34+,35-,36+,37+,38+,39-,40-,41+,42+,43-,44-,45-,46+,47-,48-,49-,50+,51+/m0/s1
SMILES CC1OC(OC2C(C)OC(OC3C(CO)OC(OC4CCC5(C)C(=CCC6C5CCC5(C)C6CC6OC7(OCC(C)(O)CC7O)C(C)C65O)C4)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
zoom in