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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 21726
    role 21705
      biological role 21703
        biochemical role 20925
          metabolite 20878
            alkaloid 5678
              spermidine alkaloid 0
                cadabicine sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21726
    subatomic particle 21712
      composite particle 21712
        hadron 21712
          baryon 21712
            nucleon 21712
              atomic nucleus 21712
                atom 21712
                  main group element atom 21629
                    p-block element atom 21629
                      carbon group element atom 21433
                        carbon atom 21333
                          organic molecular entity 21333
                            organic group 19889
                              organic divalent group 19880
                                organodiyl group 19880
                                  carbonyl group 19863
                                    carbonyl compound 19863
                                      carboxylic acid 19155
                                        monocarboxylic acid 18458
                                          alpha,beta-unsaturated monocarboxylic acid 12257
                                            cinnamic acids 2398
                                              hydroxycinnamic acid 1264
                                                monohydroxycinnamic acid 935
                                                  coumaric acid 30
                                                    4-coumaric acid 30
                                                      cadabicine sulfate 0
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