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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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Term Annotations click to browse term
  CHEBI ontology 19812
    chemical entity 19812
      atom 19811
        nonmetal atom 19698
          oxygen atom 19436
            oxygen molecular entity 19436
              flavonoids 11133
                flavonoid 6516
                  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 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic molecule 19560
                              organic cyclic compound 19351
                                organic heterocyclic compound 18582
                                  oxacycle 17586
                                    benzopyran 10410
                                      1-benzopyran 10136
                                        flavonoid 6516
                                          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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