input word = C00061027

Metabolite InformationStructural formula
Name 28-(O-beta-D-Xylopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl) (2beta,3beta,4alpha,16alpha)-3-[(O-beta-D-glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2,16-dihydroxyolean-12-ene-23,28-dioate
Formula C64H102O34
Mw 1414.62525041
CAS RN 242470-97-9
C_ID C00061027
InChIKey NAHHMVYBHGLCCF-YCADKNPLSA-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 CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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