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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:bromosulfophthalein
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Accession:CHEBI:63836 term browser browse the term
Definition:An organosulfonic acid that consists of phthalide bearing four bromo substituents at positions 4, 5, 6 and 7 as well as two 4-hydroxy-3-sulfophenyl groups both located at position 1.
Synonyms:exact_synonym: 3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonic acid)
 related_synonym: 4,5,6,7-tetrabromo-3',3''-disulfophenolphthalein;   Formula=C20H10Br4O10S2;   InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33);   InChIKey=OHTXTCNTQJFRIG-UHFFFAOYSA-N;   SMILES=Oc1ccc(cc1S(O)(=O)=O)C1(OC(=O)c2c(Br)c(Br)c(Br)c(Br)c12)c1ccc(O)c(c1)S(O)(=O)=O;   Sulphobromophthalein
 xref: CAS:297-83-6;   Drug_Central:2531;   KEGG:C11363;   KEGG:D08548
 xref_mesh: MESH:D013448
 xref: PDBeChem:BSP;   Reaxys:380936
 cyclic_relationship: is_conjugate_acid_of CHEBI:63832



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    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  ester 0
                                    carboxylic ester 0
                                      lactone 0
                                        gamma-lactone 0
                                          2-benzofuran-1(3H)-one 0
                                            bromosulfophthalein 0
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