input word = C00005853

Metabolite InformationStructural formula
Name Kaempferol 3-(4''-acetyl-6''-p-coumarylglucoside)
Formula C32H28O14
Mw 636.14790561
CAS RN 115651-95-1
C_ID C00005853 ,
InChIKey JAEYMNWXBQIRKF-VQQLBWESNA-N
InChICode InChI=1S/C32H28O14/c1-15(33)43-30-23(14-42-24(38)11-4-16-2-7-18(34)8-3-16)45-32(28(41)27(30)40)46-31-26(39)25-21(37)12-20(36)13-22(25)44-29(31)17-5-9-19(35)10-6-17/h2-13,23,27-28,30,32,34-37,40-41H,14H2,1H3/b11-4+/t23-,27-,28-,30-,32+/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)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus cerris Ref.
PlantaeFagaceaeQuercus suber Ref.
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