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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-(6-O-malonyl-beta-D-glucoside) betaine
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Accession:CHEBI:84163 term browser browse the term
Definition:An oxonium betaine obtained by deprotonation of the carboxy group of any anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside). It is the major microspecies at pH 7.3.
Synonyms:related_synonym: Formula=C24H20O13R2;   SMILES=O[C@H]1[C@H](O)[C@@H](COC(=O)CC([O-])=O)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc([*])c(O)c([*])c2)[C@@H]1O;   an anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside)
 cyclic_relationship: is_conjugate_base_of CHEBI:55410


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 24830
    chemical entity 24800
      molecular entity 24764
        polyatomic entity 24696
          molecule 24308
            organic molecule 24302
              dipolar compound 1065
                zwitterion 1064
                  onium betaine 421
                    oxonium betaine 0
                      anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside) betaine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24830
    subatomic particle 24789
      composite particle 24789
        hadron 24789
          baryon 24789
            nucleon 24789
              atomic nucleus 24789
                atom 24789
                  main group element atom 24656
                    p-block element atom 24656
                      carbon group element atom 24452
                        carbon atom 24416
                          organic molecular entity 24416
                            organic molecule 24302
                              dipolar compound 1065
                                zwitterion 1064
                                  onium betaine 421
                                    oxonium betaine 0
                                      anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside) betaine 0
paths to the root