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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-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine
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Accession:CHEBI:77943 term browser browse the term
Definition:An oxonium betaine obtained by deprotonation of the 7-hydroxy group of anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside]. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Synonyms:exact_synonym: 5-[3-(D-glucopyranosyloxy)-5-({6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-7-oxidochromenium-2-yl]-2-hydroxy-1,3-phenylene
 related_synonym: Formula=C36H34O17R2;   SMILES=OC[C@H]1OC(Oc2cc3c(OC4O[C@H](COC(=O)\\C=C\\c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])cc3[o+]c2-c2cc([*])c(O)c([*])c2)[C@H](O)[C@@H](O)[C@@H]1O;   an anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside]
 cyclic_relationship: is_conjugate_base_of CHEBI:71661


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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          molecule 0
            organic molecule 0
              dipolar compound 0
                zwitterion 0
                  onium betaine 0
                    oxonium betaine 0
                      anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] 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 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              dipolar compound 0
                                zwitterion 0
                                  onium betaine 0
                                    oxonium betaine 0
                                      anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine 0
                                        anthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine 0
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