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ONTOLOGY REPORT - ANNOTATIONS


Term:indigo carmine (acid form)
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Accession:CHEBI:90117 term browser browse the term
Definition:A member of the class of indolones obtained by formal 2,2'-oxidative coupling of two molecules of 3-oxo-2,3-dihydroindole-5-sulfonic acids.
Synonyms:exact_synonym: (2E)-3-oxo-2-(3-oxo-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonic acid
 related_synonym: 2-(1,3-Dihydro-3-oxo-5-sulpho-2H-indol-2-ylidene)-3-oxoindoline-5-sulphonic acid;   Formula=C16H10N2O8S2;   InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/b14-13+;   InChIKey=CFZXDJWFRVEWSR-BUHFOSPRSA-N;   Indigotindisulfonate;   Indigotindisulfonic acid;   SMILES=C=1(C=CC2=C(C1)C(\\C(=C\\3/NC=4C=CC(=CC4C3=O)S(O)(=O)=O)\\N2)=O)S(O)(=O)=O;   indigo carmine free acid;   indigo-5,5'-disulfonic acid
 xref: CAS:483-20-5 "ChemIDplus";   Drug_Central:4575 "DrugCentral";   HMDB:HMDB0059912;   Reaxys:64330 "Reaxys";   Wikipedia:Indigo_carmine
 cyclic_relationship: is_conjugate_acid_of CHEBI:90120


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  CHEBI ontology 19669
    role 19613
      application 19235
        dye 1230
          histological dye 102
            indigo carmine (acid form) 0
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  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic molecule 19343
                              organic cyclic compound 19093
                                organic heterocyclic compound 18157
                                  organic heteropolycyclic compound 17423
                                    organic heterobicyclic compound 15889
                                      benzopyrrole 5747
                                        indoles 5526
                                          indolones 188
                                            indigo carmine (acid form) 0
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