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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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          molecule 0
            organic molecule 0
              dipolar compound 0
                zwitterion 0
                  onium betaine 0
                    oxonium betaine 0
                      delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside betaine 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
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            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
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                          organic molecular entity 0
                            organic molecule 0
                              dipolar compound 0
                                zwitterion 0
                                  onium betaine 0
                                    oxonium betaine 0
                                      delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside betaine 0
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