input word = C00063899

Metabolite InformationStructural formula
Name Dioscoreanoside H
Formula C51H82O22
Mw 1046.52977431
CAS RN 1469752-71-3
C_ID C00063899
InChIKey UBROMSNKTYKRKQ-FADYBZIMSA-N
InChICode InChI=1S/C51H82O22/c1-19-18-64-50(16-29(19)53)23(5)51(63)31(73-50)15-28-26-9-8-24-14-25(10-12-48(24,6)27(26)11-13-49(28,51)7)68-47-43(72-45-38(60)35(57)33(55)21(3)66-45)40(62)42(30(17-52)69-47)71-46-39(61)36(58)41(22(4)67-46)70-44-37(59)34(56)32(54)20(2)65-44/h8,19-23,25-47,52-63H,9-18H2,1-7H3/t19-,20-,21-,22-,23+,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 CC1COC2(CC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
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