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 [C@]1(C[C@H]([C@@]2([C@H](C1)C1=CC[C@@H]3[C@]([C@]1(CC2)C)(CC[C@@H]1[C@]3(CC[C@@H]([C@@]1(CO)C)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)C)C)C)O)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus shikokianus Ref.
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