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ONTOLOGY REPORT - ANNOTATIONS


Term:peonidin 3-O-beta-D-glucoside
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Accession:CHEBI:74793 term browser browse the term
Definition:An anthocyanin cation that is the 3-O-beta-D-glucoside of peonidin (methylcyanidin).
Synonyms:exact_synonym: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-3-yl beta-D-glucopyranoside
 related_synonym: 3'-O-methylcyanidin 3-O-beta-D-glucoside;   Formula=C22H23O11;   InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1;   InChIKey=ZZWPMFROUHHAKY-OUUKCGNVSA-O;   Oxycoccicyanin;   Peonidin 3-O-glucoside;   Peonidin-3-glucoside;   SMILES=COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
 alt_id: CHEBI:31977
 xref: CAS:68795-37-9 "HMDB";   CAS:68795-37-9 "KEGG COMPOUND";   HMDB:HMDB0013689;   KEGG:C12141;   LIPID_MAPS_instance:LMPK12010233 "LIPID MAPS";   PMID:22703561 "Europe PMC";   PMID:23957301 "Europe PMC";   PMID:24570272 "Europe PMC";   Reaxys:1695761 "Reaxys";   Wikipedia:Peonidin-3-O-glucoside
 cyclic_relationship: is_conjugate_acid_of CHEBI:144780


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  CHEBI ontology 19716
    role 19663
      chemical role 19171
        antioxidant 14106
          peonidin 3-O-beta-D-glucoside 0
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  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic molecule 19402
                              organic cyclic compound 19158
                                organic heterocyclic compound 18245
                                  oxacycle 17014
                                    benzopyran 9473
                                      1-benzopyran 9168
                                        chromenes 903
                                          chromene 144
                                            2H-chromene 144
                                              chromenyliums 144
                                                chromenylium 144
                                                  flavylium 144
                                                    anthocyanidin cation 144
                                                      5-hydroxyanthocyanidin 93
                                                        peonidin 2
                                                          peonidin 3-O-beta-D-glucoside 0
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