input word = C00061026

Metabolite InformationStructural formula
Name Albesoside A
Formula C58H92O28
Mw 1236.57751236
CAS RN 242470-95-7
C_ID C00061026
InChIKey HLXOUKWYSJOTBY-FQJZOMDFSA-N
InChICode InChI=1S/C58H92O28/c1-22-42(82-46-38(70)32(64)26(62)20-77-46)37(69)40(72)47(79-22)84-44-33(65)27(63)21-78-50(44)86-52(76)58-14-12-53(2,3)16-24(58)23-8-9-30-54(4)17-25(61)45(57(7,51(74)75)31(54)10-11-56(30,6)55(23,5)13-15-58)85-49-41(73)43(35(67)29(19-60)81-49)83-48-39(71)36(68)34(66)28(18-59)80-48/h8,22,24-50,59-73H,9-21H2,1-7H3,(H,74,75)/t22-,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-,54+,55+,56+,57-,58-/m0/s1
SMILES O=C(O)C1(C)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)CC4(C)C1CCC5(C)C4CC=C6C7CC(C)(C)CCC7(C(=O)OC8OCC(O)C(O)C8OC9OC(C)C(OC%10OCC(O)C(O)C%10O)C(O)C9O)CCC65C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
zoom in