input word = C00034263

Metabolite InformationStructural formula
Name Smilaside K
(+)-Smilaside K
Formula C43H46O20
Mw 882.25824391
CAS RN 1023354-81-5
C_ID C00034263 ,
InChIKey LFQJZSMXUJTZON-YXZCKOFSNA-N
InChICode InChI=1S/C43H46O20/c1-23(45)59-40-38(53)37(52)32(20-44)60-42(40)63-43(22-58-35(50)15-8-24-4-11-27(46)12-5-24)41(54)39(61-36(51)17-10-26-7-14-29(48)31(19-26)56-3)33(62-43)21-57-34(49)16-9-25-6-13-28(47)30(18-25)55-2/h4-19,32-33,37-42,44,46-48,52-54H,20-22H2,1-3H3/b15-8+,16-9+,17-10+/t32-,33-,37-,38+,39-,40-,41+,42-,43+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@@](O1)(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)C)COC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)/C=C/c1ccc(c(c1)OC)O)COC(=O)/C=C/c1ccc(c(c1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax bracteata Ref.
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