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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 21747
    chemical entity 21745
      molecular entity 21731
        polyatomic entity 21624
          molecule 21273
            organic molecule 21263
              dipolar compound 1098
                zwitterion 1097
                  onium betaine 427
                    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 21747
    subatomic particle 21732
      composite particle 21732
        hadron 21732
          baryon 21732
            nucleon 21732
              atomic nucleus 21732
                atom 21732
                  main group element atom 21649
                    p-block element atom 21649
                      carbon group element atom 21461
                        carbon atom 21363
                          organic molecular entity 21363
                            organic molecule 21263
                              dipolar compound 1098
                                zwitterion 1097
                                  onium betaine 427
                                    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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