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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-bromo-beta-lapachone
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Accession:CHEBI:91022 term browser browse the term
Definition:A benzochromenone that is beta-lapachone in which one of the hydrogens attached to the carbon adjacent to that bearing the gem-dimethyls is replaced by a bromine.
Synonyms:exact_synonym: 3-bromo-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
 related_synonym: Formula=C15H13BrO3;   InChI=1S/C15H13BrO3/c1-15(2)11(16)7-10-13(18)12(17)8-5-3-4-6-9(8)14(10)19-15/h3-6,11H,7H2,1-2H3;   InChIKey=AUROYOJYCLWCML-UHFFFAOYSA-N;   NSC 98916;   SMILES=CC1(C)OC=2C3=CC=CC=C3C(C(C2CC1Br)=O)=O
 xref: CAS:41019-50-5;   PMID:25241291;   Patent:WO9707797;   Patent:WO9708162;   Reaxys:200928


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    chemical entity 19839
      molecular entity 19839
        polyatomic entity 19797
          heteroatomic molecular entity 19754
            halide 18661
              organohalogen compound 18535
                organobromine compound 6580
                  3-bromo-beta-lapachone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            heteroorganic entity 19492
                              organochalcogen compound 19255
                                organooxygen compound 19172
                                  carbonyl compound 18898
                                    ketone 17187
                                      cyclic ketone 15703
                                        quinone 8648
                                          orthoquinones 93
                                            3-bromo-beta-lapachone 0
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