input word = C00005920

Metabolite InformationStructural formula
Name Kaempferol 3-neohesperidoside-7-(2''-ferulylglucoside)
Formula C43H48O23
Mw 932.25863784
CAS RN 173268-24-1
C_ID C00005920 ,
InChIKey XOYKGTADBOSUQR-LXPKTBCKNA-N
InChICode InChI=1S/C43H48O23/c1-16-29(50)33(54)36(57)41(59-16)66-40-35(56)31(52)26(15-45)63-43(40)65-38-32(53)28-22(48)12-20(13-24(28)61-37(38)18-5-7-19(46)8-6-18)60-42-39(34(55)30(51)25(14-44)62-42)64-27(49)10-4-17-3-9-21(47)23(11-17)58-2/h3-13,16,25-26,29-31,33-36,39-48,50-52,54-57H,14-15H2,1-2H3/b10-4+/t16-,25-,26-,29+,30-,31-,33-,34+,35-,36+,39-,40-,41+,42-,43+/m1/s1
SMILES COc1cc(/C=C/C(=O)OC2[C@H](Oc3cc(O)c4c(=O)c(O[C@@H]5OC(CO)[C@@H](O)C(O)C5O[C@@H]5OC(C)[C@H](O)C(O)[C@@H]5O)c(-c5ccc(O)cc5)oc4c3)OC(CO)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium ursinum Ref.
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