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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 19669
    role 19613
      biological role 19611
        biochemical role 19138
          metabolite 19106
            xenobiotic metabolite 13796
              human xenobiotic metabolite 12966
                4-nitrocatechol 2
                  2-hydroxy-5-nitrophenyl hydrogen sulfate 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic molecule 19343
                              organic cyclic compound 19093
                                organic aromatic compound 18944
                                  phenols 17856
                                    benzenediols 5293
                                      catechols 2242
                                        4-nitrocatechol 2
                                          2-hydroxy-5-nitrophenyl hydrogen sulfate 1
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