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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:3-monobromobisphenol A
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Accession:CHEBI:33220 term browser browse the term
Definition:A bromobisphenol that has formula C15H15BrO2.
Synonyms:exact_synonym: 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
 related_synonym: 2-bromo-4-[1-(4-hydroxyphenyl)-1-methylethyl]phenol;   5-Monobromobisphenol A;   Formula=C15H15BrO2;   InChI=1S/C15H15BrO2/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,17-18H,1-2H3;   InChIKey=VENULINRALIKKV-UHFFFAOYSA-N;   Monobromobisphenol A;   SMILES=CC(C)(c1ccc(O)cc1)c1ccc(O)c(Br)c1
 alt_id: CHEBI:20143;   CHEBI:31863
 xref: CAS:6073-11-6;   KEGG:C13623;   UM-BBD_compID:c0770


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      molecular entity 19809
        polyatomic entity 19767
          heteroatomic molecular entity 19723
            halide 18642
              organohalogen compound 18484
                organobromine compound 6584
                  bromobisphenol 1805
                    3-monobromobisphenol A 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 aromatic compound 19341
                                  phenols 18609
                                    bisphenol 17998
                                      bromobisphenol 1805
                                        3-monobromobisphenol A 0
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