input word = C00063898

Metabolite InformationStructural formula
Name Dioscoreanoside G
Formula C51H82O23
Mw 1062.52468893
CAS RN 1469752-70-2
C_ID C00063898
InChIKey RJVOTBIWVOILFT-HZPYFAEZSA-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)69-24-10-12-47(5)23(14-24)8-9-25-26(47)11-13-48(6)27(25)15-30-51(48,64)22(4)50(74-30)16-29(53)49(7,63)18-65-50/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(CC(O)C(C)(O)CO7)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.
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