input word = C00033450

Metabolite InformationStructural formula
Name Trojanoside E
(+)-Trojanoside E
Formula C53H90O23
Mw 1094.58728918
CAS RN 223924-14-9
C_ID C00033450 ,
InChIKey AXYOSKBSYLNPDF-YJIRFBRFNA-N
InChICode InChI=1S/C53H90O23/c1-21(9-10-30(49(5,6)68)75-46-41(67)38(64)35(61)27(18-55)73-46)31-23(56)16-51(8)28-15-25(71-45-40(66)37(63)34(60)26(17-54)72-45)43-48(3,4)29(11-12-53(43)20-52(28,53)14-13-50(31,51)7)74-47-42(33(59)24(57)19-69-47)76-44-39(65)36(62)32(58)22(2)70-44/h21-47,54-68H,9-20H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29+,30-,31+,32+,33+,34+,35+,36-,37+,38+,39-,40-,41-,42-,43+,44+,45-,46+,47+,50-,51+,52+,53-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](C[C@@H]2O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)[C@]2([C@](CC1)([C@H]([C@H](C2)O)[C@@H](CC[C@H](C(C)(O)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)C)C3)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus trojanus Ref.
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