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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 Comt catechol-O-methyltransferase JBrowse link 11 86,715,981 86,735,630 RGD:6480464
2-hydroxy-5-nitrophenyl hydrogen sulfate term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Sts steroid sulfatase JBrowse link X 45,420,418 45,428,748 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19654
    role 19598
      biological role 19596
        biochemical role 19125
          metabolite 19093
            xenobiotic metabolite 13807
              human xenobiotic metabolite 12988
                4-nitrocatechol 2
                  2-hydroxy-5-nitrophenyl hydrogen sulfate 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            organic molecule 19327
                              organic cyclic compound 19076
                                organic aromatic compound 18925
                                  phenols 17840
                                    benzenediols 5293
                                      catechols 2240
                                        4-nitrocatechol 2
                                          2-hydroxy-5-nitrophenyl hydrogen sulfate 1
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