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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:2,4-dibromophenyl 2,4,5-tribromophenyl ether
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Accession:CHEBI:81582 term browser browse the term
Definition:A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines.
Synonyms:related_synonym: 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene;   2,2',4,4',5-pentabromodiphenyl ether;   BDE 99;   Formula=C12H5Br5O;   InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H;   InChIKey=WHPVYXDFIXRKLN-UHFFFAOYSA-N;   PBDE 99;   SMILES=O(C=1C=C(C(=CC1Br)Br)Br)C=2C=CC(=CC2Br)Br
 alt_id: MESH:C477694
 xref: CAS:60348-60-9;   HMDB:HMDB0037516;   KEGG:C18203
 xref_mesh: MESH:C477694
 xref: PMID:23258742;   PMID:25081382;   PMID:25747361;   PMID:25908029;   PMID:25956475;   PMID:26505652;   PMID:26923239;   PMID:27343407;   PMID:27471519;   PMID:28006665;   PMID:28007175;   PMID:28034496;   PMID:28104345;   PMID:28317842;   PMID:28512710;   PMID:28525869;   PMID:28557710;   Reaxys:7538447


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 22279
        role 22263
          application 21884
            flame retardant 10747
              brominated flame retardant 5082
                polybromodiphenyl ether 4319
                  2,4-dibromophenyl 2,4,5-tribromophenyl ether 2471
    Path 2
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      CHEBI ontology 22279
        subatomic particle 22273
          composite particle 22273
            hadron 22273
              baryon 22273
                nucleon 22273
                  atomic nucleus 22273
                    atom 22273
                      main group element atom 22152
                        p-block element atom 22152
                          carbon group element atom 21955
                            carbon atom 21895
                              organic molecular entity 21895
                                organic molecule 21723
                                  organic cyclic compound 21337
                                    carbocyclic compound 19769
                                      benzenoid aromatic compound 18942
                                        benzenes 18756
                                          bromobenzenes 5297
                                            polybromodiphenyl ether 4319
                                              2,4-dibromophenyl 2,4,5-tribromophenyl ether 2471
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