input word = C00061024

Metabolite InformationStructural formula
Name 28-beta-D-Glucopyranosyl (2beta,3beta,4alpha)-3-[(O-beta-D-glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioate
Formula C54H86O26
Mw 1150.54073292
CAS RN 242470-90-2
C_ID C00061024
InChIKey HUZXLDOYXSDDES-CNJBKGJXSA-N
InChICode InChI=1S/C54H86O26/c1-49(2)11-13-54(48(72)80-44-39(69)35(65)31(61)25(18-56)74-44)14-12-51(4)21(22(54)15-49)7-8-28-50(3)16-23(59)42(53(6,47(70)71)29(50)9-10-52(28,51)5)79-46-41(37(67)33(63)27(20-58)76-46)78-45-40(36(66)32(62)26(19-57)75-45)77-43-38(68)34(64)30(60)24(17-55)73-43/h7,22-46,55-69H,8-20H2,1-6H3,(H,70,71)/t22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,50+,51+,52+,53-,54-/m0/s1
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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