input word = C00043007

Metabolite InformationStructural formula
Name Smilaside E
(+)-Smilaside E
Formula C43H46O20
Mw 882.25824391
CAS RN 870296-12-1
C_ID C00043007 ,
InChIKey OEURWVSBRKOOJG-PNXBUSGYNA-N
InChICode InChI=1S/C43H46O20/c1-23(44)57-20-32-37(51)39(53)40(54)42(60-32)63-43(22-59-35(49)15-8-24-4-11-27(45)12-5-24)41(61-36(50)17-10-26-7-14-29(47)31(19-26)56-3)38(52)33(62-43)21-58-34(48)16-9-25-6-13-28(46)30(18-25)55-2/h4-19,32-33,37-42,45-47,51-54H,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)COC(=O)C)O)O)O)COC(=O)/C=C/c1ccc(cc1)O)OC(=O)/C=C/c1ccc(c(c1)OC)O)O)COC(=O)/C=C/c1ccc(c(c1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax china Ref.
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