input word = C00050257

Metabolite InformationStructural formula
Name Trachelosperoside B-1
(+)-Trachelosperoside B-1
Formula C36H58O12
Mw 682.39282732
CAS RN 109742-56-5
C_ID C00050257 ,
InChIKey PYVIEWYHDWMVSX-LHHUWJENNA-N
InChICode InChI=1S/C36H58O12/c1-18-8-11-35(30(45)48-29-26(43)25(42)24(41)21(15-37)47-29)13-12-32(3)19(27(35)34(18,5)46)6-7-22-31(2)14-20(40)28(44)36(16-38,17-39)23(31)9-10-33(22,32)4/h6,18,20-29,37-44,46H,7-17H2,1-5H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31+,32-,33-,34-,35+/m1/s1
SMILES [C@@H]1([C@@H](C([C@H]2[C@@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@]1(C)O)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(CO)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Rudgea viburnoides Ref.
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