input word = C00034264

Metabolite InformationStructural formula
Name Smilaside L
Formula C42H46O20
Mw 870.25824391
CAS RN 1023755-03-4
C_ID C00034264 ,
InChIKey SQCTZOGLCPPVLI-DNTCEFFBNA-N
InChICode InChI=1S/C42H46O20/c1-54-28-16-22(4-10-25(28)44)7-13-33(47)57-20-32-39(60-35(49)15-9-24-6-12-27(46)30(18-24)56-3)40(53)42(61-32,62-41-38(52)37(51)36(50)31(19-43)59-41)21-58-34(48)14-8-23-5-11-26(45)29(17-23)55-2/h4-18,31-32,36-41,43-46,50-53H,19-21H2,1-3H3/b13-7+,14-8+,15-9+/t31-,32-,36+,37+,38-,39-,40+,41-,42+/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(c(c1)OC)O)O)OC(=O)/C=C/c1ccc(c(c1)OC)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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