input word = C00043005

Metabolite InformationStructural formula
Name Smilaside C
(+)-Smilaside C
Formula C41H44O19
Mw 840.24767923
CAS RN 407611-38-5
C_ID C00043005 ,
InChIKey XPMSXAVTDBNKAT-IUQOBREHNA-N
InChICode InChI=1S/C41H44O19/c1-53-28-17-23(5-12-26(28)44)8-15-32(46)55-20-31-36(50)39(58-34(48)16-9-24-6-13-27(45)29(18-24)54-2)41(59-31,60-40-38(52)37(51)35(49)30(19-42)57-40)21-56-33(47)14-7-22-3-10-25(43)11-4-22/h3-18,30-31,35-40,42-45,49-52H,19-21H2,1-2H3/b14-7+,15-8+,16-9+/t30-,31-,35-,36-,37+,38-,39+,40-,41+/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]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax china Ref.
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