input word = C00054927

Metabolite InformationStructural formula
Name N,N'-Bis(3,4-dihydroxycinnamoyl)-1,4-butanediamine
Formula C22H24N2O6
Mw 412.16343651
CAS RN 60422-23-3
C_ID C00054927
InChIKey WKIWXOKCKNMLIX-NXZHAISVSA-N
InChICode InChI=1S/C22H24N2O6/c25-17-7-3-15(13-19(17)27)5-9-21(29)23-11-1-2-12-24-22(30)10-6-16-4-8-18(26)20(28)14-16/h3-10,13-14,25-28H,1-2,11-12H2,(H,23,29)(H,24,30)/b9-5+,10-6+
SMILES O=C(/C=C/c1ccc(O)c(O)c1)NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeRosaceaePyrus communis Ref.
zoom in