input word = C00005914

Metabolite InformationStructural formula
Name Kaempferol 3-[2'''-(E)-ferulylsophoroside]-7-glucoside
Formula C43H48O24
Mw 948.25355247
CAS RN 151649-63-7
C_ID C00005914 ,
InChIKey QHJVKUDIQWLPMG-RETXSKOZNA-N
InChICode InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)48)3-9-27(50)65-39-34(56)30(52)25(14-45)63-42(39)67-40-35(57)31(53)26(15-46)64-43(40)66-38-32(54)28-21(49)11-19(60-41-36(58)33(55)29(51)24(13-44)62-41)12-23(28)61-37(38)17-4-6-18(47)7-5-17/h2-12,24-26,29-31,33-36,39-49,51-53,55-58H,13-15H2,1H3/b9-3+/t24-,25+,26+,29+,30+,31+,33+,34+,35-,36-,39+,40+,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)CO)O)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1cc(c(cc1)O)OC)c1ccc(cc1)O)O)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
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