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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:4-nitrobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester
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Accession:CHEBI:92965 term browser browse the term
Definition:A nitrobenzoic acid that has formula C17H11N3O6S.
Synonyms:related_synonym: Formula=C17H11N3O6S;   InChI=1S/C17H11N3O6S/c21-14-8-13(10-27-17-18-6-1-7-19-17)25-9-15(14)26-16(22)11-2-4-12(5-3-11)20(23)24/h1-9H,10H2;   InChIKey=UASIRTUMPRQVFY-UHFFFAOYSA-N;   SMILES=C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
 xref: LINCS:LSM-3228



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  CHEBI ontology 26040
    chemical entity 26019
      group 25882
        inorganic group 24574
          nitro group 12395
            nitro compound 12395
              C-nitro compound 12073
                nitrobenzoic acid 30
                  4-nitrobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26040
    subatomic particle 26015
      composite particle 26015
        hadron 26015
          baryon 26015
            nucleon 26015
              atomic nucleus 26015
                atom 26015
                  main group element atom 25840
                    p-block element atom 25840
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            organic group 23608
                              organic divalent group 23569
                                organodiyl group 23569
                                  carbonyl group 23563
                                    carbonyl compound 23563
                                      carboxylic acid 22717
                                        aromatic carboxylic acid 13014
                                          benzoic acids 12986
                                            nitrobenzoic acid 30
                                              4-nitrobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester 0
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