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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:isonymphaeol B
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Accession:CHEBI:66096 term browser browse the term
Definition:A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4 and a geranyl group at position 5'. Isolated from Propolis from Okinawa, Japan, it exhibits radical scavenging activity.
Synonyms:exact_synonym: (2S)-2-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,5-dihydroxyphenyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
 related_synonym: 5,7,3',4'-tetrahydroxy-5'-C-geranylflavanone;   Formula=C25H28O6;   InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-17(10-21(29)25(16)30)22-13-20(28)24-19(27)11-18(26)12-23(24)31-22/h5,7,9-12,22,26-27,29-30H,4,6,8,13H2,1-3H3/b15-7+/t22-/m0/s1;   InChIKey=AMSGNHVRVKYLPO-CEMXSPGASA-N;   SMILES=[H][C@]1(CC(=O)c2c(O)cc(O)cc2O1)c1cc(O)c(O)c(C\\C=C(/C)CCC=C(C)C)c1
 xref: PMID:14745198;   PMID:16730759;   PMID:20184018;   Reaxys:10397346


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  CHEBI ontology 19773
    role 19723
      biological role 19723
        biochemical role 19311
          metabolite 19293
            isonymphaeol B 0
Path 2
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  CHEBI ontology 19773
    subatomic particle 19771
      composite particle 19771
        hadron 19771
          baryon 19771
            nucleon 19771
              atomic nucleus 19771
                atom 19771
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19583
                        carbon atom 19573
                          organic molecular entity 19573
                            organic molecule 19505
                              organic cyclic compound 19332
                                organic heterocyclic compound 18519
                                  oxacycle 17539
                                    benzopyran 10269
                                      1-benzopyran 9991
                                        flavonoid 6510
                                          flavans 3016
                                            flavanones 317
                                              hydroxyflavanone 304
                                                4'-hydroxyflavanones 273
                                                  isonymphaeol B 0
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