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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Definition:A methylcatechol that is 4-methylcatechol in which the hydrogen at position 3 has been replaced by a nitro group.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 Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          nitro group 0
            nitro compound 0
              C-nitro compound 0
                nitrotoluene 0
                  4-methyl-3-nitrocatechol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic aromatic compound 0
                                  phenols 0
                                    benzenediols 0
                                      catechols 0
                                        methylcatechol 0
                                          4-methyl-3-nitrocatechol 0
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