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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 19786
    chemical entity 19786
      molecular entity 19784
        polyatomic entity 19704
          molecule 19549
            organic molecule 19519
              dipolar compound 1063
                zwitterion 1062
                  onium betaine 416
                    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 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            organic molecule 19519
                              dipolar compound 1063
                                zwitterion 1062
                                  onium betaine 416
                                    oxonium betaine 0
                                      delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside betaine 0
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