input word = C00037739

Metabolite InformationStructural formula
Name Robinioside E
Formula C48H78O19
Mw 958.51373031
CAS RN 149691-29-2
C_ID C00037739 ,
InChIKey CPKUECAWPOGBJH-UHFFFAOYNA-N
InChICode InChI=1S/C48H78O19/c1-21-29(53)31(55)35(59)40(62-21)66-37-32(56)30(54)24(18-49)63-41(37)67-38-34(58)33(57)36(39(60)61)65-42(38)64-28-11-12-45(4)25(46(28,5)20-51)10-13-48(7)26(45)9-8-22-23-16-43(2,19-50)17-27(52)44(23,3)14-15-47(22,48)6/h8,21,23-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)/t21-,23+,24-,25+,26-,27+,28-,29-,30+,31+,32+,33+,34+,35+,36+,37-,38-,40-,41+,42-,43+,44-,45+,46+,47-,48+/m0/s1
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(CO)CC(O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus shikokianus Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeRobinia pseudoacacia Ref.
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OrganismRobinia pseudoacacia
ReferenceB. Cui et al., Chem. Abs., (1993), 119, 135612.