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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    chemical entity 19812
      molecular entity 19811
        polyatomic entity 19732
          molecule 19583
            organic molecule 19560
              dipolar compound 1064
                zwitterion 1063
                  onium betaine 416
                    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 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic molecule 19560
                              dipolar compound 1064
                                zwitterion 1063
                                  onium betaine 416
                                    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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