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ONTOLOGY REPORT - ANNOTATIONS


Term:N(1),N(8)-bis(sinapoyl)-spermidine
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Accession:CHEBI:85300 term browser browse the term
Definition:A secondary amino compound that is spermidine in which each of the primary amino groups has been mono-acylated by formal condensation with trans-sinapic acid.
Synonyms:related_synonym: Formula=C29H39N3O8;   InChI=1S/C29H39N3O8/c1-37-22-16-20(17-23(38-2)28(22)35)8-10-26(33)31-14-6-5-12-30-13-7-15-32-27(34)11-9-21-18-24(39-3)29(36)25(19-21)40-4/h8-11,16-19,30,35-36H,5-7,12-15H2,1-4H3,(H,31,33)(H,32,34)/b10-8+,11-9+;   InChIKey=PMOOGLRNGWRADJ-GFULKKFKSA-N;   SMILES=COc1cc(\\C=C\\C(=O)NCCCCNCCCNC(=O)\\C=C\\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
 xref: PMID:19168716;   Reaxys:8095708
 cyclic_relationship: is_conjugate_base_of CHEBI:85006


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19789
    role 19735
      application 19381
        MALDI matrix material 929
          trans-sinapic acid 0
            N(1),N(8)-bis(sinapoyl)-spermidine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19789
    subatomic particle 19787
      composite particle 19787
        hadron 19787
          baryon 19787
            nucleon 19787
              atomic nucleus 19787
                atom 19787
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19569
                        carbon atom 19558
                          organic molecular entity 19558
                            organic group 18473
                              organic divalent group 18467
                                organodiyl group 18467
                                  carbonyl group 18366
                                    carbonyl compound 18366
                                      carboxylic acid 18038
                                        monocarboxylic acid 17290
                                          alpha,beta-unsaturated monocarboxylic acid 11376
                                            cinnamic acids 2370
                                              hydroxycinnamic acid 1248
                                                monohydroxycinnamic acid 912
                                                  sinapic acid 9
                                                    trans-sinapic acid 0
                                                      N(1),N(8)-bis(sinapoyl)-spermidine 0
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