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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-methyl-3-nitrocatechol
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Accession:CHEBI:142347 term browser browse the term
Definition:A methylcatechol that is 4-methylcatechol in which the hydrogen at position 3 has been replaced by a nitro group.
Synonyms:exact_synonym: 4-methyl-3-nitrobenzene-1,2-diol
 related_synonym: Formula=C7H7NO4;   InChI=1S/C7H7NO4/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3,9-10H,1H3;   InChIKey=JNHOFPQUTOBFOM-UHFFFAOYSA-N;   SMILES=C1=CC(=C(C(=C1O)O)[N+]([O-])=O)C
 xref: CAS:92538-95-9;   MetaCyc:CPD-18109;   PMID:11823201
 cyclic_relationship: is_conjugate_acid_of CHEBI:142288



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20050
    chemical entity 20049
      group 19976
        inorganic group 19464
          nitro group 10802
            nitro compound 10802
              C-nitro compound 10524
                nitrotoluene 3886
                  4-methyl-3-nitrocatechol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic molecule 19809
                              organic cyclic compound 19572
                                organic aromatic compound 19407
                                  phenols 18486
                                    benzenediols 6490
                                      catechols 3230
                                        methylcatechol 11
                                          4-methyl-3-nitrocatechol 0
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