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CHEBI:188297 - N1,N10-Diferuloylspermidine

ChEBI IDCHEBI:188297
ChEBI NameN1,N10-Diferuloylspermidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H35N3O6
Net Charge0
Average Mass497.592
Monoisotopic Mass497.25259
SMILESCOc1cc(/C=C\C(=O)NCCCNCCCCNC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C27H35N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-26(33)29-16-4-3-14-28-15-5-17-30-27(34)13-9-21-7-11-23(32)25(19-21)36-2/h6-13,18-19,28,31-32H,3-5,14-17H2,1-2H3,(H,29,33)(H,30,34)/b12-8+,13-9-
InChIKeyIGHVUFYLAJSILE-UQXQTEIVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N1,N10-Diferuloylspermidine (CHEBI:188297) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[4-[3-[[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]propylamino]butyl]prop-2-enamide
Manual XrefsDatabases
30777009ChemSpider
HMDB0033471HMDB