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 COc1cc(/C=C/C(=O)OC2C(O)[C@H](O)C(CO)O[C@H]2OC2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)C(O)C5O)cc(O)c4c3=O)OC(CO)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
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