input word = C00033451

Metabolite InformationStructural formula
Name Trojanoside F
(+)-Trojanoside F
Formula C52H88O23
Mw 1080.57163912
CAS RN 223924-15-0
C_ID C00033451 ,
InChIKey ZYRBQSIZDRAAME-VUHAZMPONA-N
InChICode InChI=1S/C52H88O23/c1-21(8-9-30(48(4,5)67)74-45-40(66)37(63)35(61)27(17-54)72-45)31-22(55)15-50(7)28-14-25(70-44-39(65)36(62)34(60)26(16-53)71-44)42-47(2,3)29(10-11-52(42)20-51(28,52)13-12-49(31,50)6)73-46-41(33(59)24(57)19-69-46)75-43-38(64)32(58)23(56)18-68-43/h21-46,53-67H,8-20H2,1-7H3/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+,49-,50+,51+,52-/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](CO1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus trojanus Ref.
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