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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:benzoic acid 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl ester
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Accession:CHEBI:93826 term browser browse the term
Definition:A benzoate ester that has formula C19H20F3NO2.
Synonyms:related_synonym: Formula=C19H20F3NO2;   InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3;   InChIKey=CJAVTWRYCDNHSM-UHFFFAOYSA-N;   SMILES=CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2;   benfluorex hydrochloride;   benfluorex maleate;   benfluorex methanesulfonate;   benfluramate
 xref: CAS:23602-78-0;   Drug_Central:307;   LINCS:LSM-4365
 xref_mesh: MESH:C001584


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benzoic acid 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl ester term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO benfluorex results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
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Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 19761
    chemical entity 19761
      group 19678
        inorganic group 19163
          oxo group 18499
            organic oxo compound 18499
              carbonyl compound 18499
                carboxylic ester 15500
                  benzoate ester 5023
                    benzoic acid 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl ester 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic group 18593
                              organic divalent group 18584
                                organodiyl group 18584
                                  carbonyl group 18499
                                    carbonyl compound 18499
                                      carboxylic acid 18151
                                        aromatic carboxylic acid 11266
                                          benzoic acids 11237
                                            benzoate ester 5023
                                              benzoic acid 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl ester 1
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