input word = C00034259

Metabolite InformationStructural formula
Name Smilaside G
(+)-Smilaside G
Formula C40H42O18
Mw 810.23711454
CAS RN 1023754-99-5
C_ID C00034259 ,
InChIKey MZXYABYRKMHWOU-TYHIVULENA-N
InChICode InChI=1S/C40H42O18/c1-52-28-18-24(6-14-27(28)44)9-16-31(45)53-20-30-37(56-33(47)17-8-23-4-12-26(43)13-5-23)38(51)40(57-30,58-39-36(50)35(49)34(48)29(19-41)55-39)21-54-32(46)15-7-22-2-10-25(42)11-3-22/h2-18,29-30,34-39,41-44,48-51H,19-21H2,1H3/b15-7+,16-9+,17-8+/t29-,30-,34+,35+,36-,37-,38+,39-,40+/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)O)COC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)/C=C/c1ccc(cc1)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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OrganismSmilax bracteata
ReferenceZhang,Phytochem.,69,(2008),1398