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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-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester
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Accession:CHEBI:113175 term browser browse the term
Definition:A carboxylic ester that has formula C18H18BrNO3.
Synonyms:related_synonym: Formula=C18H18BrNO3;   InChI=1S/C18H18BrNO3/c1-13-3-2-4-16(11-13)20-17(21)9-10-18(22)23-12-14-5-7-15(19)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,21);   InChIKey=KAGHTNIGBARZLK-UHFFFAOYSA-N;   SMILES=CC1=CC(=CC=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br
 xref: LINCS:LSM-24586


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      chemical role 19422
        antioxidant 16120
          benzyl alcohol 435
            4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester 0
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Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            hydroxides 19300
                              organic hydroxy compound 18928
                                alcohol 15673
                                  aromatic alcohol 527
                                    benzyl alcohols 493
                                      benzyl alcohol 435
                                        4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester 0
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