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N(1),N(8)-bis-(dihydrocaffeoyl)spermidine - Ontology Report - Rat Genome Database

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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:N(1),N(8)-bis-(dihydrocaffeoyl)spermidine
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Accession:CHEBI:142881 term browser browse the term
Definition:A secondary carboxamide resulting from the formal condensation of a molecule of dihydrocaffeic acid with each of the primary amino groups of spermidine. Found in potato tubers.
Synonyms:exact_synonym: 3-(3,4-dihydroxyphenyl)-N-[3-({4-[3-(3,4-dihydroxyphenyl)propanamido]butyl}amino)propyl]propanamide
 related_synonym: Formula=C25H35N3O6;   InChI=1S/C25H35N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,8-9,16-17,26,29-32H,1-3,6-7,10-15H2,(H,27,33)(H,28,34);   InChIKey=RNEHQZRKZJSYOL-UHFFFAOYSA-N;   N(1),N(8)-bis-[3-(3,4-dihydroxyphenyl)propanoyl]spermidine;   SMILES=C(CCNC(CCC=1C=CC(=C(C1)O)O)=O)CNCCCNC(CCC=2C=CC(=C(C2)O)O)=O
 xref: PMID:15969534;   PMID:27292771

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  CHEBI ontology 19887
    role 19858
      chemical role 19483
        antioxidant 16181
          3-(3,4-dihydroxyphenyl)propanoic acid 2
            N(1),N(8)-bis-(dihydrocaffeoyl)spermidine 0
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  CHEBI ontology 19887
    subatomic particle 19885
      composite particle 19885
        hadron 19885
          baryon 19885
            nucleon 19885
              atomic nucleus 19885
                atom 19885
                  main group element atom 19824
                    p-block element atom 19824
                      carbon group element atom 19763
                        carbon atom 19760
                          organic molecular entity 19760
                            heteroorganic entity 19521
                              organochalcogen compound 19282
                                organooxygen compound 19197
                                  carbon oxoacid 18676
                                    carboxylic acid 18673
                                      monocarboxylic acid 18012
                                        fatty acid 16849
                                          saturated fatty acid 16565
                                            propionic acid 3877
                                              3-phenylpropionic acid 7
                                                3-(3,4-dihydroxyphenyl)propanoic acid 2
                                                  N(1),N(8)-bis-(dihydrocaffeoyl)spermidine 0
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