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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:chromoxane cyanin R(3-)
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Accession:CHEBI:87387 term browser browse the term
Definition:An organosulfonate oxoanion obtained by deprotonation of the sulfo and carboxy groups of 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid.
Synonyms:exact_synonym: 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate
 related_synonym: Formula=C23H15O9S;   InChI=1S/C23H18O9S/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32)/p-3/b19-14+;   InChIKey=KXOWVZNVTQLQPD-XMHGGMMESA-K;   SMILES=CC1=C\\C(C=C(C([O-])=O)C1=O)=C(\\c1cc(C)c(O)c(c1)C([O-])=O)c1ccccc1S([O-])(=O)=O;   chromoxane cyanin R anion;   chromoxane cyanin R trianion
 cyclic_relationship: is_conjugate_base_of CHEBI:87389


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    chemical entity 19791
      molecular entity 19787
        ion 15930
          anion 14935
            organic anion 3008
              organosulfonate oxoanion 28
                chromoxane cyanin R(3-) 0
                  chromoxane cyanin R 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            organic ion 8325
                              organic anion 3008
                                carboxylic acid anion 2390
                                  monocarboxylic acid anion 1487
                                    benzoates 1265
                                      hydroxybenzoate 6
                                        chromoxane cyanin R(3-) 0
                                          chromoxane cyanin R 0
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