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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:5-bromo-4-chloro-3-indolyl acetate
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Accession:CHEBI:90149 term browser browse the term
Definition:An acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of 5-bromo-4-chloroindoxyl.
Synonyms:exact_synonym: 5-bromo-4-chloro-1H-indol-3-yl acetate
 related_synonym: 5-Bromo-4-chloroindoxyl acetate;   BCDA;   Formula=C10H7BrClNO2;   InChI=1S/C10H7BrClNO2/c1-5(14)15-8-4-13-7-3-2-6(11)10(12)9(7)8/h2-4,13H,1H3;   InChIKey=WPWLFFMSSOAORQ-UHFFFAOYSA-N;   SMILES=N1C=C(C2=C1C=CC(=C2Cl)Br)OC(=O)C;   acetic acid-(5-bromo-4-chloro-indol-3-yl ester)
 xref: CAS:3252-36-6;   Reaxys:199004


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      application 19630
        food additive 16107
          food acidity regulator 11934
            acetic acid 11055
              acetate ester 4059
                5-bromo-4-chloro-3-indolyl acetate 0
Path 2
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
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic heterocyclic compound 18862
                                  organic heteropolycyclic compound 18301
                                    organic heterobicyclic compound 17233
                                      benzopyrrole 9716
                                        indoles 9414
                                          hydroxyindoles 172
                                            indoxyl 54
                                              5-bromo-4-chloro-3-indolyl acetate 0
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