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CHEBI:173179 - Diferuloylputrescine

ChEBI IDCHEBI:173179
ChEBI NameDiferuloylputrescine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28N2O6
Net Charge0
Average Mass440.496
Monoisotopic Mass440.19474
SMILESCOc1cc(/C=C/C(=O)NCCCCNC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)25-13-3-4-14-26-24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)/b11-7+,12-8+
InChIKeyCHEMZHJQHCVLFI-MKICQXMISA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Diferuloylputrescine (CHEBI:173179) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
Manual XrefsDatabases
4479465ChemSpider
HMDB0033468HMDB
Registry NumbersSources
CAS:42369-86-8ChemIDplus