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ONTOLOGY REPORT - ANNOTATIONS


Term:4-nitrocatechol
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Accession:CHEBI:16318 term browser browse the term
Definition:A member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol.
Synonyms:related_synonym: 1,2-Dihydroxy-4-nitrobenzene;   4-Nitropyrocatechol;   4-nitrobenzene-1,2-diol;   Formula=C6H5NO4;   InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H;   InChIKey=XJNPNXSISMKQEX-UHFFFAOYSA-N;   SMILES=C1(=CC=C(C=C1O)[N+]([O-])=O)O
 alt_id: CHEBI:12033;   CHEBI:1912;   CHEBI:20456;   CHEBI:40103
 xref: CAS:3316-09-4 "ChemIDplus";   CAS:3316-09-4 "KEGG COMPOUND";   CAS:3316-09-4 "NIST Chemistry WebBook";   DrugBank:DB03407;   HMDB:HMDB0002916;   KEGG:C02235
 xref_mesh: MESH:C001833
 xref: MetaCyc:CPD-158;   PDBeChem:4NC;   PMID:14993710 "Europe PMC";   PMID:20854995 "Europe PMC";   PMID:8214571 "Europe PMC";   PMID:8267647 "Europe PMC";   Reaxys:1867508 "Reaxys";   UM-BBD_compID:c0263 "UM-BBD"
 cyclic_relationship: is_conjugate_acid_of CHEBI:57730


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4-nitrocatechol term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G CYP2E1 cytochrome P450, family 2, subfamily E, polypeptide 1 JBrowse link 14 141,690,737 141,703,078 RGD:6480464

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Path 1
Term Annotations click to browse term
  CHEBI ontology 836
    role 813
      biological role 813
        biochemical role 687
          metabolite 671
            xenobiotic metabolite 110
              human xenobiotic metabolite 82
                4-nitrocatechol 1
                  2-hydroxy-5-nitrophenyl hydrogen sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 836
    subatomic particle 820
      composite particle 820
        hadron 820
          baryon 820
            nucleon 820
              atomic nucleus 820
                atom 820
                  main group element atom 808
                    p-block element atom 805
                      carbon group element atom 776
                        carbon atom 772
                          organic molecular entity 772
                            organic molecule 690
                              organic cyclic compound 611
                                organic aromatic compound 507
                                  phenols 392
                                    benzenediols 287
                                      catechols 13
                                        4-nitrocatechol 1
                                          2-hydroxy-5-nitrophenyl hydrogen sulfate 0
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