input word = C00050258

Metabolite InformationStructural formula
Name Trachelosperoside E-1
Formula C36H58O12
Mw 682.39282732
CAS RN 109742-50-9
C_ID C00050258 ,
InChIKey FSLDBYNJYAUPDI-XRXPIWIZNA-N
InChICode InChI=1S/C36H58O12/c1-31(2)10-12-35(30(46)48-29-26(43)25(42)24(41)20(15-37)47-29)13-11-33(4)18(23(35)28(31)45)6-7-21-32(3)14-19(40)27(44)36(16-38,17-39)22(32)8-9-34(21,33)5/h6,19-29,37-45H,7-17H2,1-5H3/t19-,20-,21-,22-,23-,24-,25+,26-,27+,28+,29+,32-,33-,34-,35+/m1/s1
SMILES CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Rudgea viburnoides Ref.
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