input word = C00044879

Metabolite InformationStructural formula
Name Ligupurpuroside C
(-)-Ligupurpuroside C
Formula C35H46O17
Mw 738.27350005
CAS RN 1194056-33-1
C_ID C00044879 ,
InChIKey ZPGBMGMUFKRLER-QJHPKLSENA-N
InChICode InChI=1S/C35H46O17/c1-16-24(39)26(41)28(43)34(48-16)51-31-17(2)49-35(29(44)27(31)42)52-32-25(40)22(15-47-23(38)12-7-18-3-8-20(36)9-4-18)50-33(30(32)45)46-14-13-19-5-10-21(37)11-6-19/h3-12,16-17,22,24-37,39-45H,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]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)C)O)COC(=O)/C=C/c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeLigustrum robustum Ref.
zoom in