input word = C00005855

Metabolite InformationStructural formula
Name Kaempferol 3-(2''-(Z)-p-coumaryl-6''-(E)-p-coumarylglucoside)
Formula C39H32O15
Mw 740.17412036
CAS RN 137120-98-0
C_ID C00005855 ,
InChIKey YXXQUJGFZPLXJV-OELNIIPRNA-N
InChICode InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)35(49)38(53-31(46)16-6-21-3-11-24(41)12-4-21)39(52-29)54-37-34(48)32-27(44)17-26(43)18-28(32)51-36(37)22-7-13-25(42)14-8-22/h1-18,29,33,35,38-44,47,49H,19H2/b15-5+,16-6-/t29-,33-,35+,38-,39+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)OC(=O)/C=C\c1ccc(cc1)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus canariensis Ref.
zoom in