input word = C00033907

Metabolite InformationStructural formula
Name Helonioside B
Formula C34H40O18
Mw 736.22146448
CAS RN 107647-21-2
C_ID C00033907 ,
InChIKey JYCVXPNFPCYFKL-WFMNKVBGNA-N
InChICode InChI=1S/C34H40O18/c1-17(36)47-14-24-28(41)30(43)31(44)33(49-24)52-34(16-35)32(50-27(40)11-7-19-5-9-21(38)23(13-19)46-3)29(42)25(51-34)15-48-26(39)10-6-18-4-8-20(37)22(12-18)45-2/h4-13,24-25,28-33,35,37-38,41-44H,14-16H2,1-3H3/b10-6+,11-7+/t24-,25-,28+,29-,30+,31-,32+,33-,34+/m1/s1
SMILES COc1cc(/C=C/C(=O)OC[C@H]2O[C@@](CO)(O[C@H]3O[C@H](COC(C)=O)[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
PlantaePolygonaceaePolygonum perfoliatum Ref.
PlantaeSmilacaceaeSmilax bracteata Ref.
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OrganismPolygonum perfoliatum
ReferenceSun,J.Nat.Prod.,63,(2000),1094