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 COc1cc(/C=C/C(=O)OC[C@H]2O[C@@](COC(=O)/C=C/c3ccc(O)cc3)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(C)=O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax bracteata Ref.
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