input word = C00054926

Metabolite InformationStructural formula
Name N,N'-1,4-Butanediylbis[3-(4-hydroxyphenyl)-2-propenamide]
Formula C22H24N2O4
Mw 380.17360727
CAS RN 37946-59-1
C_ID C00054926
InChIKey PYVBFDCHJDMSMM-FNCQTZNRSA-N
InChICode InChI=1S/C22H24N2O4/c25-19-9-3-17(4-10-19)7-13-21(27)23-15-1-2-16-24-22(28)14-8-18-5-11-20(26)12-6-18/h3-14,25-26H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7+,14-8+
SMILES OC1=CC=C(/C=C/C(NCCCCNC(/C=C/C2=CC=C(O)C=C2)=O)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeRosaceaePyrus communis Ref.
PlantaeRosaceaeRubus idaeus Ref.
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OrganismHelianthus annuus
ReferenceMartin-Tanguy, J. et al., C. R. Seances Acad. Sci., Ser. D, 1973, 276, 1433-1435 (Dicoumaroylputrescine, Diferuloylputrescine)