input word = C00043004

Metabolite InformationStructural formula
Name Smilaside B
(+)-Smilaside B
Formula C34H40O18
Mw 736.22146448
CAS RN 870296-06-3
C_ID C00043004 ,
InChIKey XLHWVVGQWRFHPR-WFMNKVBGNA-N
InChICode InChI=1S/C34H40O18/c1-17(37)48-31-30(44)28(42)24(14-35)49-33(31)52-34(16-36)32(50-27(41)11-7-19-5-9-21(39)23(13-19)46-3)29(43)25(51-34)15-47-26(40)10-6-18-4-8-20(38)22(12-18)45-2/h4-13,24-25,28-33,35-36,38-39,42-44H,14-16H2,1-3H3/b10-6+,11-7+/t24-,25-,28+,29-,30+,31-,32+,33-,34+/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)OC(=O)C)CO)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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OrganismSmilax china
ReferenceKuo,J.Nat.Prod.,68,(2005),1475