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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: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;   Drug_Central:4575;   HMDB:HMDB0059912;   Reaxys:64330;   Wikipedia:Indigo_carmine
 cyclic_relationship: is_conjugate_acid_of CHEBI:90120


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  CHEBI ontology 19761
    role 19711
      application 19401
        dye 1309
          histological dye 160
            indigo carmine (acid form) 0
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  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic molecule 19493
                              organic cyclic compound 19318
                                organic heterocyclic compound 18510
                                  organic heteropolycyclic compound 17973
                                    organic heterobicyclic compound 16776
                                      benzopyrrole 9542
                                        indoles 9214
                                          indolones 5858
                                            indigo carmine (acid form) 0
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