input word = C00024666

Metabolite InformationStructural formula
Name N',N''-Bis(5-hydroxyferuloyl)-N'''-sinapoylspermidine
Formula C38H45N3O12
Mw 735.30032393
CAS RN
C_ID C00024666 ,
InChIKey FDECXSCMWXHRNU-FOXWYSRTSA-N
InChICode InChI=1S/C38H45N3O12/c1-50-29-20-24(18-27(42)36(29)47)8-11-33(44)39-14-5-6-16-41(35(46)13-10-25-19-28(43)37(48)30(21-25)51-2)17-7-15-40-34(45)12-9-26-22-31(52-3)38(49)32(23-26)53-4/h8-13,18-23,42-43,47-49H,5-7,14-17H2,1-4H3,(H,39,44)(H,40,45)/b11-8+,12-9+,13-10+
SMILES N(C(=O)/C=C/c1cc(c(c(c1)OC)O)O)(CCCCNC(=O)/C=C/c1cc(c(c(c1)O)O)OC)CCCNC(=O)/C=C/c1cc(c(c(c1)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
zoom in