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



OrganismQuercus suber
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Romussi,Arch.Pharm.,324,(1991),519

Romussi,Pharmazie,50<(1995),443