input word = C00005924

Metabolite InformationStructural formula
Name Kaempferol 3-(2''-ferulylglucoside)-7,4'-diglucoside
Formula C43H48O24
Mw 948.25355247
CAS RN 108887-47-4
C_ID C00005924 ,
InChIKey XDQCEAKLWIPMLQ-LRUXBRDDNA-N
InChICode InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)66-40-35(56)31(52)26(15-46)65-43(40)67-39-32(53)28-21(48)11-19(61-42-37(58)34(55)30(51)25(14-45)64-42)12-23(28)62-38(39)17-4-6-18(7-5-17)60-41-36(57)33(54)29(50)24(13-44)63-41/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3/b9-3+/t24-,25-,26+,29+,30+,31+,33+,34+,35+,36+,37+,40+,41+,42+,43-/m0/s1
SMILES COc1cc(/C=C/C(=O)O[C@@H]2C(O)[C@H](O)C(CO)O[C@H]2Oc2c(-c3ccc(O[C@@H]4OC(CO)[C@@H](O)C(O)[C@H]4O)cc3)oc3cc(O[C@@H]4O[C@@H](CO)[C@@H](O)C(O)C4O)cc(O)c3c2=O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium tuberosum Ref.
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