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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:4-(trifluoromethyl)phenol
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Accession:CHEBI:42578 term browser browse the term
Definition:A member of the class of (trifluoromethyl)benzenes that is p-cresol in which the methyl group is perfluorinated. It is a metabolite of the drug fluoxetine.
Synonyms:related_synonym: 4-hydroxybenzotrifluoride;   4-trifluoromethylphenol;   ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL;   Formula=C7H5F3O;   InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H;   InChIKey=BAYGVMXZJBFEMB-UHFFFAOYSA-N;   SMILES=Oc1ccc(cc1)C(F)(F)F
 alt_id: CHEBI:36811;   CHEBI:42573
 xref: Beilstein:1637019;   CAS:402-45-9;   PDBeChem:FCR;   PMID:10826650;   PMID:14521227;   PMID:17764718;   PMID:8730918;   Reaxys:1637019



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Term Annotations click to browse term
  CHEBI ontology 19810
    role 19759
      application 19468
        solvent 16639
          (trifluoromethyl)benzene 381
            4-(trifluoromethyl)phenol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19809
      composite particle 19809
        hadron 19809
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19706
                    main group molecular entity 19706
                      s-block molecular entity 19490
                        hydrogen molecular entity 19485
                          hydrides 18845
                            organic hydride 18355
                              organic fundamental parent 18355
                                hydrocarbon 18066
                                  halohydrocarbon 14054
                                    haloalkane 11708
                                      fluoroalkane 7215
                                        fluoromethanes 6411
                                          tetrafluoromethane 6411
                                            trifluoromethyl group 6411
                                              (trifluoromethyl)benzenes 6411
                                                (trifluoromethyl)benzene 381
                                                  4-(trifluoromethyl)phenol 0
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