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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 397
    chemical entity 397
      molecular entity 397
        polyatomic entity 390
          molecule 370
            organic molecule 368
              dipolar compound 1
                zwitterion 1
                  onium betaine 1
                    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 397
    subatomic particle 397
      composite particle 397
        hadron 397
          baryon 397
            nucleon 397
              atomic nucleus 397
                atom 397
                  main group element atom 390
                    p-block element atom 390
                      carbon group element atom 379
                        carbon atom 378
                          organic molecular entity 378
                            organic molecule 368
                              dipolar compound 1
                                zwitterion 1
                                  onium betaine 1
                                    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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