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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:cadabicine sulfate
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Accession:CHEBI:132716 term browser browse the term
Definition:A spermidine alkaloid with formula C25H29N3O7S that is biosynthesised by Arabidopsis thaliana.
Synonyms:exact_synonym: (8E,22E)-10,21-dioxo-2-oxa-11,16,20-triazatricyclo[22.2.2.1(3,7)]nonacosa-1(26),3(29),4,6,8,22,24,27-octaen-4-yl hydrogen sulfate
 related_synonym: Formula=C25H29N3O7S;   InChI=1S/C25H29N3O7S/c29-24-12-7-19-4-9-21(10-5-19)34-23-18-20(6-11-22(23)35-36(31,32)33)8-13-25(30)27-16-2-1-14-26-15-3-17-28-24/h4-13,18,26H,1-3,14-17H2,(H,27,30)(H,28,29)(H,31,32,33)/b12-7+,13-8+;   InChIKey=HVFBFUUUEIXKJL-INOXDZRUSA-N;   SMILES=N1CCCNCCCCNC(C=CC=2C=C(C(=CC2)OS(O)(=O)=O)OC=3C=CC(=CC3)C=CC1=O)=O;   cyclic didehydro-di(coumaroyl)spermidine sulfate;   didehydro-di(coumaroyl) spermidine sulfate
 xref: PMID:27363486


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Term Annotations click to browse term
  CHEBI ontology 885
    role 865
      biological role 865
        biochemical role 729
          metabolite 717
            alkaloid 46
              spermidine alkaloid 0
                cadabicine sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 885
    subatomic particle 870
      composite particle 870
        hadron 870
          baryon 870
            nucleon 870
              atomic nucleus 870
                atom 870
                  main group element atom 860
                    p-block element atom 857
                      carbon group element atom 833
                        carbon atom 832
                          organic molecular entity 832
                            organic group 392
                              organic divalent group 390
                                organodiyl group 390
                                  carbonyl group 389
                                    carbonyl compound 389
                                      carboxylic acid 267
                                        monocarboxylic acid 134
                                          alpha,beta-unsaturated monocarboxylic acid 15
                                            cinnamic acids 8
                                              hydroxycinnamic acid 6
                                                monohydroxycinnamic acid 1
                                                  coumaric acid 0
                                                    4-coumaric acid 0
                                                      cadabicine sulfate 0
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