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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:1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
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Accession:CHEBI:84002 term browser browse the term
Definition:A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group.
Synonyms:exact_synonym: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
 related_synonym: Formula=C14H16ClN3O2;   InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3;   InChIKey=WURBVZBTWMNKQT-UHFFFAOYSA-N;   SMILES=CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1
 xref: LINCS:LSM-4424;   PPDB:648


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Term Annotations click to browse term
  CHEBI ontology 501
    role 501
      application 459
        NMR chemical shift reference compound 332
          ammonia 327
            organic amino compound 327
              hemiaminal ether 0
                1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one 0
                  (R)-triadimefon + 0
                  (S)-triadimefon + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    main group molecular entity 494
                      s-block molecular entity 438
                        hydrogen molecular entity 437
                          hydrides 368
                            inorganic hydride 333
                              pnictogen hydride 332
                                nitrogen hydride 332
                                  azane 327
                                    ammonia 327
                                      organic amino compound 327
                                        hemiaminal 0
                                          hemiaminal ether 0
                                            1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one 0
                                              (R)-triadimefon + 0
                                              (S)-triadimefon + 0
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