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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: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:HMDB0013689;   KEGG:C12141;   LIPID_MAPS_instance:LMPK12010233;   PMID:22703561;   PMID:23957301;   PMID:24570272;   Reaxys:1695761;   Wikipedia:Peonidin-3-O-glucoside
 cyclic_relationship: is_conjugate_acid_of CHEBI:144780


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  CHEBI ontology 499
    role 499
      chemical role 425
        antioxidant 43
          peonidin 3-O-beta-D-glucoside 0
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  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      carbon group element atom 481
                        carbon atom 480
                          organic molecular entity 480
                            organic molecule 471
                              organic cyclic compound 454
                                organic heterocyclic compound 417
                                  oxacycle 69
                                    benzopyran 28
                                      1-benzopyran 19
                                        chromenes 4
                                          chromene 0
                                            2H-chromene 0
                                              chromenyliums 0
                                                chromenylium 0
                                                  flavylium 0
                                                    anthocyanidin cation 0
                                                      5-hydroxyanthocyanidin 0
                                                        peonidin 0
                                                          peonidin 3-O-beta-D-glucoside 0
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