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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19720
      biological role 19720
        biochemical role 19310
          metabolite 19292
            alkaloid 5625
              spermidine alkaloid 0
                cadabicine sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            organic group 18602
                              organic divalent group 18593
                                organodiyl group 18593
                                  carbonyl group 18506
                                    carbonyl compound 18506
                                      carboxylic acid 18158
                                        monocarboxylic acid 17526
                                          alpha,beta-unsaturated monocarboxylic acid 12219
                                            cinnamic acids 2387
                                              hydroxycinnamic acid 1264
                                                monohydroxycinnamic acid 926
                                                  coumaric acid 30
                                                    4-coumaric acid 30
                                                      cadabicine sulfate 0
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