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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:2,4,6-trimethylbenzoic acid
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Accession:CHEBI:64830 term browser browse the term
Definition:A trimethylbenzoic acid in which the three methyl substituents are located at positions 2, 4 and 6.
Synonyms:related_synonym: Formula=C10H12O2;   InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12);   InChIKey=FFFIRKXTFQCCKJ-UHFFFAOYSA-N;   Mesitoic acid;   Mesitylenecarboxylic acid;   SMILES=Cc1cc(C)c(C(O)=O)c(C)c1;   beta-Isodurylic acid
 xref: CAS:480-63-7;   Reaxys:1866187
 cyclic_relationship: is_conjugate_acid_of CHEBI:64832

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Term Annotations click to browse term
  CHEBI ontology 2
    role 2
      biological role 2
        antimicrobial agent 1
          antimicrobial food preservative 0
            benzoic acid 0
              2,4,6-trimethylbenzoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      aromatic carboxylic acid 0
                                        benzoic acids 0
                                          benzoic acid 0
                                            2,4,6-trimethylbenzoic acid 0
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