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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:3-chloro-4-methylcatechol
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Accession:CHEBI:142284 term browser browse the term
Definition:A chlorocatechol that is catechol which is substituted by a chlorine at position 3 and a methyl group at position 4.
Synonyms:exact_synonym: 3-chloro-4-methylbenzene-1,2-diol
 related_synonym: 2-chloro-3,4-dihydroxytoluene;   3-chloro-4-methyl-1,2-benzenediol;   Formula=C7H7ClO2;   InChI=1S/C7H7ClO2/c1-4-2-3-5(9)7(10)6(4)8/h2-3,9-10H,1H3;   InChIKey=KMTSTVDXZGLBBJ-UHFFFAOYSA-N;   SMILES=C=1(C(=C(C=CC1O)C)Cl)O
 xref: CAS:174509-39-8;   MetaCyc:CPD-18114;   PMID:11823201;   PMID:15774876;   Reaxys:8254915



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19915
    role 19885
      chemical role 19492
        antioxidant 16172
          4-methylcatechol 12
            3-chloro-4-methylcatechol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19915
    subatomic particle 19913
      composite particle 19895
        hadron 19895
          baryon 19913
            nucleon 19895
              atomic nucleus 19913
                atom 19895
                  main group element atom 19852
                    p-block element atom 19834
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            organic molecule 19722
                              organic cyclic compound 19529
                                organic aromatic compound 19374
                                  phenols 18678
                                    benzenediols 9155
                                      catechols 3410
                                        methylcatechol 13
                                          4-methylcatechol 12
                                            3-chloro-4-methylcatechol 0
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