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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 19762
    chemical entity 19762
      molecular entity 19760
        polyatomic entity 19680
          molecule 19523
            organic molecule 19493
              dipolar compound 1060
                zwitterion 1059
                  onium betaine 416
                    oxonium betaine 0
                      anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside) betaine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19762
    subatomic particle 19760
      composite particle 19760
        hadron 19760
          baryon 19760
            nucleon 19760
              atomic nucleus 19760
                atom 19760
                  main group element atom 19651
                    p-block element atom 19651
                      carbon group element atom 19570
                        carbon atom 19560
                          organic molecular entity 19560
                            organic molecule 19493
                              dipolar compound 1060
                                zwitterion 1059
                                  onium betaine 416
                                    oxonium betaine 0
                                      anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside) betaine 0
paths to the root