input word = C00013777

Metabolite InformationStructural formula
Name Kaempferol 3-(2''-(E)-p-coumaroyl-6''-acetylglucoside)
Dentatiflavonoid
3-[[6-O-Acetyl-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C32H28O14
Mw 636.14790561
CAS RN 351491-18-4
C_ID C00013777 ,
InChIKey DZZUKFUCKPKSOR-RMHOGESWNA-N
InChICode InChI=1S/C32H28O14/c1-15(33)42-14-23-26(39)28(41)31(45-24(38)11-4-16-2-7-18(34)8-3-16)32(44-23)46-30-27(40)25-21(37)12-20(36)13-22(25)43-29(30)17-5-9-19(35)10-6-17/h2-13,23,26,28,31-32,34-37,39,41H,14H2,1H3/b11-4+/t23-,26+,28-,31+,32-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C)O)O)OC(=O)/C=C/c1ccc(cc1)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus dentata Ref.
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