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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:cyanidin 3-O-beta-D-glucoside
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Accession:CHEBI:28426 term browser browse the term
Definition:An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3.
Synonyms:exact_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl beta-D-glucopyranoside
 related_synonym: Cyanidin 3-O-glucoside;   Formula=C21H21O11;   InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1;   InChIKey=RKWHWFONKJEUEF-GQUPQBGVSA-O;   SMILES=OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
 alt_id: CHEBI:23429;   CHEBI:3974
 xref: CAS:7084-24-4;   HMDB:HMDB0030684;   KEGG:C08604;   KNApSAcK:C00002374;   LIPID_MAPS_instance:LMPK12010110
 xref_mesh: MESH:C114438
 xref: Reaxys:1695615
 cyclic_relationship: is_conjugate_acid_of CHEBI:61318



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19918
    role 19894
      biological role 19892
        biochemical role 19588
          metabolite 19574
            cyanidin 3-O-beta-D-glucoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19811
                        carbon atom 19806
                          organic molecular entity 19806
                            organic molecule 19758
                              organic cyclic compound 19565
                                organic heterocyclic compound 18906
                                  oxacycle 17850
                                    benzopyran 11796
                                      1-benzopyran 11539
                                        chromenes 4420
                                          chromene 137
                                            2H-chromene 137
                                              chromenyliums 137
                                                chromenylium 137
                                                  flavylium 137
                                                    anthocyanidin cation 137
                                                      5-hydroxyanthocyanidin 88
                                                        cyanidin cation 22
                                                          cyanidin 3-O-beta-D-glucoside 0
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