input word = C00005858

Metabolite InformationStructural formula
Name Kaempferol 3-(2'',3''-diacetyl-4''-(Z)-p-coumaryl-6''-(E)-p-coumarylglucoside)
Formula C43H36O17
Mw 824.19524973
CAS RN 137018-29-2
C_ID C00005858 ,
InChIKey QFYWXPXFEBIELC-DIHWNAHDNA-N
InChICode InChI=1S/C43H36O17/c1-22(44)55-41-39(59-35(52)18-8-25-5-13-28(47)14-6-25)33(21-54-34(51)17-7-24-3-11-27(46)12-4-24)58-43(42(41)56-23(2)45)60-40-37(53)36-31(50)19-30(49)20-32(36)57-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3/b17-7+,18-8-/t33-,39-,41+,42-,43+/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)OC(=O)/C=C\c1ccc(cc1)O)OC(=O)C)OC(=O)C)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus canariensis Ref.
PlantaeFagaceaeQuercus rubra Ref.
PlantaeFagaceaeQuercus suber Ref.
zoom in