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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:halfenprox
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Accession:CHEBI:39368 term browser browse the term
Definition:An aromatic ether the is the 3-phenoxybenzyl ether of 2-(4-difluorobromomethoxyphenyl)-2-methylpropanol.
Synonyms:exact_synonym: 1-[(2-{4-[bromo(difluoro)methoxy]phenyl}-2-methylpropoxy)methyl]-3-phenoxybenzene
 related_synonym: 3-phenoxybenzyl 2-(4-difluorobromomethoxyphenyl)-2-methylpropyl ether;   Formula=C24H23BrF2O3;   InChI=1S/C24H23BrF2O3/c1-23(2,19-11-13-21(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3;   InChIKey=WIFXJBMOTMKRMM-UHFFFAOYSA-N;   SMILES=CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1;   fubfenprox
 xref: CAS:111872-58-3;   PPDB:375;   Reaxys:11404200


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  CHEBI ontology 19841
    role 19792
      biological role 19792
        aetiopathogenetic role 18974
          allergen 16943
            4-tert-butylphenol 26
              halfenprox 0
Path 2
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  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19732
                    p-block element atom 19732
                      carbon group element atom 19636
                        carbon atom 19625
                          organic molecular entity 19625
                            organic molecule 19556
                              organic cyclic compound 19365
                                organic aromatic compound 19192
                                  phenols 18159
                                    4-tert-butylphenol 26
                                      halfenprox 0
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