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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:anthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine
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Accession:CHEBI:144773 term browser browse the term
Definition:An oxonium betaine obtained by deprotonation of the 7-hydroxy group of anthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-[(6-O-4-hydroxycinnamoyl)glucoside]. It is the major microspecies at pH 7.3
Synonyms:related_synonym: Formula=C36H34O17R2;   SMILES=C1(=C(C=C2C(OC3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)COC(/C=C/C4=CC=C(C=C4)O)=O)=CC(=CC2=[O+]1)[O-])O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)C6=CC(=C(O)C(=C6)*)*;   an anthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-[(6-O-(E)-4-coumaroyl)glucoside]



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Path 1
Term Annotations click to browse term
  CHEBI ontology 24839
    chemical entity 24809
      atom 24800
        nonmetal atom 24537
          oxygen atom 23693
            oxygen molecular entity 23693
              flavonoids 11812
                flavonoid 6940
                  3-hydroxyanthocyanidin betaine 0
                    4-unsubstituted 3-hydroxyanthocyanidin betaine 0
                      anthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24839
    subatomic particle 24800
      composite particle 24800
        hadron 24800
          baryon 24800
            nucleon 24800
              atomic nucleus 24800
                atom 24800
                  main group element atom 24668
                    p-block element atom 24668
                      carbon group element atom 24465
                        carbon atom 24429
                          organic molecular entity 24429
                            organic molecule 24312
                              organic cyclic compound 23583
                                organic heterocyclic compound 21923
                                  oxacycle 19680
                                    benzopyran 10928
                                      1-benzopyran 10636
                                        flavonoid 6940
                                          3-hydroxyanthocyanidin betaine 0
                                            4-unsubstituted 3-hydroxyanthocyanidin betaine 0
                                              anthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine 0
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