input word = C00033400

Metabolite InformationStructural formula
Name Suffruticoside E
Formula C26H38O17
Mw 622.21089979
CAS RN 145898-98-2
C_ID C00033400 ,
InChIKey WMSOAFSOTCAHGJ-ADPHHLIGNA-N
InChICode InChI=1S/C26H38O17/c1-9(28)11-4-3-10(37-2)5-13(11)40-26-22(36)23(43-25-21(35)19(33)17(31)14(6-27)41-25)18(32)15(42-26)8-39-24-20(34)16(30)12(29)7-38-24/h3-5,12,14-27,29-36H,6-8H2,1-2H3/t12-,14+,15+,16-,17+,18+,19-,20-,21+,22-,23-,24-,25-,26+/m0/s1
SMILES COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia suffruticosa ANDREWS Ref.
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OrganismPaeonia suffruticosa ANDREWS
ReferenceMatsuda,Chem.Pharm.Bull.,49,(2001),69