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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:Crobetabyanol B
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Accession:CHEBI:227390 term browser browse the term
Synonyms:exact_synonym: [2-bromo-4-[3-bromo-4-[2-bromo-3-(2,4-dibromophenoxy)-4-sulooxyphenoxy]-5-(2,4-dibromophenoxy)phenoxy]phenyl] hydrogen sulate
 related_synonym: Formula=C30H15Br7O12S2;   InChI=1S/C30H15Br7O12S2/c31-14-1-4-22(18(33)9-14)45-27-13-17(44-16-3-6-24(20(35)11-16)48-50(38,39)40)12-21(36)29(27)47-25-7-8-26(49-51(41,42)43)30(28(25)37)46-23-5-2-15(32)10-19(23)34/h1-13H,(H,38,39,40)(H,41,42,43);   InChIKey=PGLDWZUFBSDOEM-UHFFFAOYSA-N;   SMILES=BrC1=C(OC2=C(Br)C=C(Br)C=C2)C(OS(=O)(=O)O)=CC=C1OC3=C(Br)C=C(OC4=CC(Br)=C(OS(=O)(=O)O)C=C4)C=C3OC5=C(Br)C=C(Br)C=C5
 xref: Chemspider:24668925


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19844
    chemical entity 19842
      molecular entity 19842
        main group molecular entity 19792
          p-block molecular entity 19792
            halogen molecular entity 18673
              bromine molecular entity 6657
                organobromine compound 6592
                  Crobetabyanol B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  ether 17280
                                    aromatic ether 16525
                                      Crobetabyanol B 0
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