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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 22194
    chemical entity 22193
      molecular entity 22185
        polyatomic entity 22088
          molecule 21686
            organic molecule 21662
              dipolar compound 458
                zwitterion 457
                  onium betaine 454
                    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 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21920
                        carbon atom 21846
                          organic molecular entity 21846
                            organic molecule 21662
                              dipolar compound 458
                                zwitterion 457
                                  onium betaine 454
                                    oxonium betaine 0
                                      delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside betaine 0
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