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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:delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside betaine
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Accession:CHEBI:77838 term browser browse the term
Definition:An oxonium betaine obtained by deprotonation of the 7-hydroxy group of delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Synonyms:exact_synonym: 3,5-bis(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)chromenium-7-olate
 related_synonym: Formula=C27H30O17;   InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1;   InChIKey=XCTGXGVGJYACEI-LCENJUANSA-N;   SMILES=OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O;   delphinidin 3,5-bis-O-beta-D-glucoside
 cyclic_relationship: is_conjugate_base_of CHEBI:55455


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Path 1
Term Annotations click to browse term
  CHEBI ontology 21771
    chemical entity 21769
      molecular entity 21756
        polyatomic entity 21649
          molecule 21297
            organic molecule 21287
              dipolar compound 1101
                zwitterion 1100
                  onium betaine 427
                    oxonium betaine 0
                      delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside betaine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21771
    subatomic particle 21757
      composite particle 21757
        hadron 21757
          baryon 21757
            nucleon 21757
              atomic nucleus 21757
                atom 21757
                  main group element atom 21674
                    p-block element atom 21674
                      carbon group element atom 21487
                        carbon atom 21387
                          organic molecular entity 21387
                            organic molecule 21287
                              dipolar compound 1101
                                zwitterion 1100
                                  onium betaine 427
                                    oxonium betaine 0
                                      delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside betaine 0
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