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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 909
    chemical entity 909
      atom 894
        nonmetal atom 853
          oxygen atom 771
            oxygen molecular entity 771
              flavonoids 39
                flavonoid 33
                  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 909
    subatomic particle 894
      composite particle 894
        hadron 894
          baryon 894
            nucleon 894
              atomic nucleus 894
                atom 894
                  main group element atom 863
                    p-block element atom 860
                      carbon group element atom 836
                        carbon atom 835
                          organic molecular entity 835
                            organic molecule 754
                              organic cyclic compound 661
                                organic heterocyclic compound 370
                                  oxacycle 263
                                    benzopyran 120
                                      1-benzopyran 69
                                        flavonoid 33
                                          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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