input word = C00005895

Metabolite InformationStructural formula
Name Kaempferol 3-(2''-caffeylglucoside)-7-rhamnoside
Formula C36H36O18
Mw 756.19016435
CAS RN 128700-30-1
C_ID C00005895 ,
InChIKey ZFDYOOWTGQKEHM-SPAPWHGGNA-N
InChICode InChI=1S/C36H36O18/c1-14-26(43)29(46)31(48)35(49-14)50-18-11-21(41)25-22(12-18)51-32(16-4-6-17(38)7-5-16)33(28(25)45)54-36-34(30(47)27(44)23(13-37)52-36)53-24(42)9-3-15-2-8-19(39)20(40)10-15/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-3+/t14-,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(c(c1)O)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAspleniaceaeAsplenium scolopendrium Ref.
zoom in