input word = C00044878

Metabolite InformationStructural formula
Name Ligupurpuroside B
Formula C35H46O17
Mw 738.27350005
CAS RN 147396-02-9
C_ID C00044878 ,
InChIKey FNUMFJHHCJMAHD-KPKJPENVNA-N
InChICode InChI=1S/C35H46O17/c1-16-24(40)25(41)27(43)34(47-16)51-30-17(2)48-35(28(44)26(30)42)52-32-29(45)33(46-14-13-19-5-10-21(38)11-6-19)49-22(15-36)31(32)50-23(39)12-7-18-3-8-20(37)9-4-18/h3-12,16-17,22,24-38,40-45H,13-15H2,1-2H3/b12-7+/t16-,17+,22+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-/m0/s1
SMILES c1c(ccc(c1)CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)OC(=O)/C=C/c1ccc(cc1)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeLigustrum robustum Ref.
zoom in



OrganismLigustrum robustum
ReferenceHe,J.Nat.Prod.,66,(2003),851