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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 19831
    role 19807
      chemical role 19442
        antioxidant 16141
          peonidin 3-O-beta-D-glucoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            organic molecule 19677
                              organic cyclic compound 19490
                                organic heterocyclic compound 18852
                                  oxacycle 17838
                                    benzopyran 11965
                                      1-benzopyran 11716
                                        chromenes 4420
                                          chromene 137
                                            2H-chromene 137
                                              chromenyliums 137
                                                chromenylium 137
                                                  flavylium 137
                                                    anthocyanidin cation 137
                                                      5-hydroxyanthocyanidin 88
                                                        peonidin 2
                                                          peonidin 3-O-beta-D-glucoside 0
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