input word = C00033449

Metabolite InformationStructural formula
Name Trojanoside D
(-)-Trojanoside D
Formula C48H82O20
Mw 978.53994506
CAS RN 223924-13-8
C_ID C00033449 ,
InChIKey AQCQLHHPRPRXRN-FPRYPFCKNA-N
InChICode InChI=1S/C48H82O20/c1-20(8-9-28(44(4,5)62)68-42-38(61)35(58)32(55)25(18-51)66-42)29-21(52)15-46(7)26-14-22(63-40-36(59)33(56)30(53)23(16-49)64-40)39-43(2,3)27(67-41-37(60)34(57)31(54)24(17-50)65-41)10-11-48(39)19-47(26,48)13-12-45(29,46)6/h20-42,49-62H,8-19H2,1-7H3/t20-,21+,22+,23-,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+,42+,45-,46+,47+,48-/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]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus trojanus Ref.
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