input word = C00019440

Metabolite InformationStructural formula
Name 3-O-[2-O-(E)-p-coumaroyl-beta-D-galactopyranosyl]-7-O-beta-D-glucopyranosylkaempferol
Formula C36H36O18
Mw 756.19016435
CAS RN 717883-32-4
C_ID C00019440 ,
InChIKey SOPVQGCZAWJHCX-INHHJVAWNA-N
InChICode InChI=1S/C36H36O18/c37-13-22-26(43)29(46)31(48)35(51-22)49-19-11-20(41)25-21(12-19)50-32(16-4-8-18(40)9-5-16)33(28(25)45)54-36-34(30(47)27(44)23(14-38)52-36)53-24(42)10-3-15-1-6-17(39)7-2-15/h1-12,22-23,26-27,29-31,34-41,43-44,46-48H,13-14H2/b10-3+/t22-,23+,26-,27+,29+,30+,31-,34-,35-,36+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)OC(=O)/C=C/c1ccc(cc1)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeOnonis vaginalis Ref.
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