input word = C00034260

Metabolite InformationStructural formula
Name Smilaside H
(+)-Smilaside H
Formula C42H44O19
Mw 852.24767923
CAS RN 1023755-00-1
C_ID C00034260 ,
InChIKey JZXPKQCFEKOMFC-WWHVMFIUNA-N
InChICode InChI=1S/C42H44O19/c1-23(44)57-39-37(52)36(51)31(20-43)58-41(39)61-42(22-56-34(49)16-8-24-3-11-27(45)12-4-24)40(53)38(59-35(50)18-9-25-5-13-28(46)14-6-25)32(60-42)21-55-33(48)17-10-26-7-15-29(47)30(19-26)54-2/h3-19,31-32,36-41,43,45-47,51-53H,20-22H2,1-2H3/b16-8+,17-10+,18-9+/t31-,32-,36-,37+,38-,39-,40+,41-,42+/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)cc2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax bracteata Ref.
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