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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:capensinidin
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Accession:CHEBI:3367 term browser browse the term
Definition:An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 7, a methoxy group at position 5 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2 respectively.
Synonyms:exact_synonym: 3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-1-benzopyran-1-ium
 related_synonym: Formula=C18H17O7;   InChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-11(13)8-12(20)18(25-14)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1;   InChIKey=GYLVPQXQQPMCKK-UHFFFAOYSA-O;   SMILES=COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(OC)c2cc1O
 xref: CAS:19077-85-1;   KEGG:C08595;   PMID:22260638;   Reaxys:3915526;   Wikipedia:Capensinidin



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    chemical entity 19832
      molecular entity 19832
        ion 16697
          organic ion 9857
            organic cation 8908
              anthocyanidin cation 137
                capensinidin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic molecule 19680
                              organic cyclic compound 19492
                                organic heterocyclic compound 18854
                                  oxacycle 17814
                                    benzopyran 11778
                                      1-benzopyran 11522
                                        chromenes 4418
                                          chromene 137
                                            2H-chromene 137
                                              chromenyliums 137
                                                chromenylium 137
                                                  flavylium 137
                                                    anthocyanidin cation 137
                                                      capensinidin 0
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