input word = C00005859

Metabolite InformationStructural formula
Name Kaempferol 3-(3'',4''-diacetyl-2'',6''-di-(E)-p-coumarylglucoside)
Formula C43H36O17
Mw 824.19524973
CAS RN 137018-33-8
C_ID C00005859 ,
InChIKey IFLHDGGEJKVLAF-HHIGJDRNNA-N
InChICode InChI=1S/C43H36O17/c1-22(44)55-39-33(21-54-34(51)17-7-24-3-11-27(46)12-4-24)58-43(42(41(39)56-23(2)45)59-35(52)18-8-25-5-13-28(47)14-6-25)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-/m0/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)OC(=O)C)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.
PlantaeFagaceaeQuercus rubra Ref.
PlantaeFagaceaeQuercus suber Ref.
zoom in