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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 3,3',5-tri-O-glucoside
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Accession:CHEBI:55456 term browser browse the term
Definition:An anthocyanin cation consisting of delphinidin with three beta-D-glucosyl residues attached to the 3-, 3'- and 5-hydroxy groups.
Synonyms:related_synonym: Delphinidin 3,5,3'-triglucoside;   Formula=C33H41O22;   InChI=1S/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)50-14-4-10(37)3-13-11(14)5-16(52-33-29(48)26(45)23(42)19(8-36)55-33)30(49-13)9-1-12(38)20(39)15(2-9)51-32-28(47)25(44)22(41)18(7-35)54-32/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/p+1/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1;   InChIKey=YDAVXGXZAIUFTB-KCRRSQHJSA-O;   SMILES=OC[C@H]1O[C@@H](Oc2cc(cc(O)c2O)-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
 xref: Beilstein:5373533;   KEGG:C16314;   PMID:12857844
 cyclic_relationship: is_conjugate_acid_of CHEBI:77844


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        epitope 7028
          beta-D-glucose 1657
            beta-D-glucoside 1464
              delphinidin 3,3',5-tri-O-glucoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  oxacycle 17819
                                    benzopyran 11950
                                      1-benzopyran 11702
                                        chromenes 4418
                                          chromene 137
                                            4H-chromene 137
                                              chromenyliums 137
                                                chromenylium 137
                                                  flavylium 137
                                                    anthocyanidin cation 137
                                                      5-hydroxyanthocyanidin 88
                                                        delphinidin 55
                                                          delphinidin 3,3',5-tri-O-glucoside 0
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