input word = C00033446

Metabolite InformationStructural formula
Name Trojanoside A
(+)-Trojanoside A
Formula C43H70O15
Mw 826.47147157
CAS RN 223924-10-5
C_ID C00033446 ,
InChIKey LRXKZZFZGZAUSP-BNRZEFFINA-N
InChICode InChI=1S/C43H70O15/c1-20(45)54-23-16-40(7)25-15-22(55-36-32(51)30(49)29(48)24(17-44)56-36)33-37(2,3)26(57-35-31(50)28(47)21(46)18-53-35)10-12-43(33)19-42(25,43)14-13-39(40,6)34(23)41(8)11-9-27(58-41)38(4,5)52/h21-36,44,46-52H,9-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,39-,40+,41-,42+,43-/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)OC(=O)C)[C@@]1(O[C@@H](CC1)C(O)(C)C)C)C)C)C3)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus trojanus Ref.
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