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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 5-O-beta-D-glucoside 3-O-beta-D-sambubioside betaine
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Accession:CHEBI:77944 term browser browse the term
Definition:An oxonium betaine obtained by deprotonation of the 7-hydroxy group of any anthocyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Synonyms:related_synonym: Formula=C32H36O19R2;   SMILES=OC[C@H]1O[C@@H](Oc2cc([O-])cc3[o+]c(c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc23)-c2cc([*])c(O)c([*])c2)[C@H](O)[C@@H](O)[C@@H]1O;   an anthocyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
 cyclic_relationship: is_conjugate_base_of CHEBI:71507


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    chemical entity 19821
      molecular entity 19819
        polyatomic entity 19740
          molecule 19592
            organic molecule 19569
              dipolar compound 1063
                zwitterion 1062
                  onium betaine 416
                    oxonium betaine 0
                      anthocyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside betaine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic molecule 19569
                              dipolar compound 1063
                                zwitterion 1062
                                  onium betaine 416
                                    oxonium betaine 0
                                      anthocyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside betaine 0
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