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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:Celestin blue B(1+)
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Accession:CHEBI:88189 term browser browse the term
Definition:An organic cation that is 3,4-dihydroxyphenoxazin-5-ium carrying additional carbamoyl and diethylamino groups at positions 1 and 7 respectively. The chloride salt is the histological dye 'Celestin blue B'.
Synonyms:exact_synonym: 1-carbamoyl-7-(diethylamino)-3,4-dihydroxyphenoxazin-5-ium
 related_synonym: Celestin blue B cation;   Formula=C17H18N3O4;   InChI=1S/C17H17N3O4/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22/h5-8H,3-4H2,1-2H3,(H3-,18,19,21,22,23)/p+1;   InChIKey=YAWTZTDMXHYGQM-UHFFFAOYSA-O;   SMILES=C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(CC)CC
 xref: Reaxys:3915005

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          organic ion 0
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              Celestin blue B(1+) 0
                Celestin blue B 0
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  CHEBI ontology 0
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      composite particle 0
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                    main group molecular entity 0
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                                Celestin blue B(1+) 0
                                  Celestin blue B 0
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