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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:neohesperidin
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Accession:CHEBI:59016 term browser browse the term
Definition:A flavanone glycoside that is hesperitin having an 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group.
Synonyms:exact_synonym: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside
 related_synonym: (S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one;   Formula=C28H34O15;   Hesperetin 7-O-neohesperidoside;   InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1;   InChIKey=ARGKVCXINMKCAZ-UZRWAPQLSA-N;   SMILES=COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O1
 alt_id: CHEBI:7504
 xref: Beilstein:1279600;   CAS:13241-33-3;   HMDB:HMDB0030748;   KEGG:C09806;   KNApSAcK:C00000987;   LIPID_MAPS_instance:LMPK12140452;   MetaCyc:CPD-7074;   PMID:18045389;   PMID:21950163;   PMID:22102373;   PMID:23285810;   Reaxys:1279600



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      chemical role 19422
        antioxidant 16120
          hesperetin 143
            neohesperidin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic heterocyclic compound 18862
                                  oxacycle 17819
                                    benzopyran 11950
                                      1-benzopyran 11702
                                        flavonoid 7190
                                          flavans 3637
                                            flavanones 555
                                              methoxyflavanone 289
                                                4'-methoxyflavanones 143
                                                  hesperetin 143
                                                    neohesperidin 0
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