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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:2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
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Accession:CHEBI:176340 term browser browse the term
Definition:An aromatic ketone that is (trifluoromethyl)benzene in which the hydrogen at position 4 is replaced by a 2-methyl-3-(pyrrolidin-1-yl)propanoyl group.
Synonyms:related_synonym: 1-(4-trifluoromethylphenyl)-2-methyl-3-pyrrolidino-1-propanone;   Formula=C15H18F3NO;   InChI=1S/C15H18F3NO/c1-11(10-19-8-2-3-9-19)14(20)12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,2-3,8-10H2,1H3;   InChIKey=RYZCWZZJFAKYHX-UHFFFAOYSA-N;   SMILES=CC(CN1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19869
      application 19713
        NMR chemical shift reference compound 18091
          ammonia 17890
            organic amino compound 17890
              tertiary amino compound 10159
                2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one 0
                  lanperisone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19669
                        hydrogen molecular entity 19651
                          hydrides 19162
                            organic hydride 18712
                              organic fundamental parent 18712
                                hydrocarbon 18460
                                  halohydrocarbon 15880
                                    haloalkane 12916
                                      fluoroalkane 9232
                                        fluoromethanes 6775
                                          tetrafluoromethane 6775
                                            trifluoromethyl group 6775
                                              (trifluoromethyl)benzenes 6775
                                                2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one 0
                                                  lanperisone 0
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