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CHEBI:229855 - caffeoylferuloylspermidine

ChEBI IDCHEBI:229855
ChEBI Namecaffeoylferuloylspermidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33N3O6
Net Charge0
Average Mass483.565
Monoisotopic Mass483.23694
SMILESCOc1cc(/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
InChIInChI=1S/C26H33N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-25(33)28-15-3-2-13-27-14-4-16-29-26(34)11-7-19-5-9-21(30)23(32)17-19/h5-12,17-18,27,30-32H,2-4,13-16H2,1H3,(H,28,33)(H,29,34)/b11-7+,12-8+
InChIKeyYUUGXIVVDZSRNR-MKICQXMISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
caffeoylferuloylspermidine (CHEBI:229855) is a methoxybenzenes (CHEBI:51683)
caffeoylferuloylspermidine (CHEBI:229855) is a phenols (CHEBI:33853)
IUPAC Name 
(E)-3-(3,4-dihydroxyphenyl)-N-[3-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butylamino]propyl]prop-2-enamide
Manual XrefsDatabases
30777008ChemSpider
HMDB0033470HMDB