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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:hesperetin
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Accession:CHEBI:28230 term browser browse the term
Definition:A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position.
Synonyms:exact_synonym: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
 related_synonym: (-)-(S)-hesperetin;   (2S)-hesperetin;   (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one;   3',5,7-Trihydroxy-4'-methoxyflavanone;   Formula=C16H14O6;   InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1;   InChIKey=AIONOLUJZLIMTK-AWEZNQCLSA-N;   SMILES=COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
 alt_id: CHEBI:24529;   CHEBI:5681
 xref: Beilstein:92705;   CAS:520-33-2;   DrugBank:DB01094;   Drug_Central:1362;   HMDB:HMDB0005782;   KEGG:C01709;   KNApSAcK:C00000968;   LINCS:LSM-20933;   LIPID_MAPS_instance:LMPK12140003
 xref_mesh: MESH:C013015
 xref: MetaCyc:CPD-7072;   PMID:16964766;   PMID:22409373;   PMID:22794525;   PMID:22899565;   PMID:22903244;   Reaxys:92705;   Wikipedia:Hesperetin
 cyclic_relationship: is_conjugate_acid_of CHEBI:61249


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      chemical role 0
        antioxidant 0
          hesperetin 0
            (2S)-5,7,3'-trihydroxy-4'-methoxy-8-(3''-methylbut-2''-enyl)-flavonone 0
            hesperetin 7-O-beta-D-glucoside 0
            hesperidin + 0
            neohesperidin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        flavonoid 0
                                          flavans 0
                                            flavanones 0
                                              methoxyflavanone 0
                                                4'-methoxyflavanones 0
                                                  hesperetin 0
                                                    (2S)-5,7,3'-trihydroxy-4'-methoxy-8-(3''-methylbut-2''-enyl)-flavonone 0
                                                    hesperetin 7-O-beta-D-glucoside 0
                                                    hesperidin + 0
                                                    neohesperidin 0
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