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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:2,3-dimethylbenzoic acid
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Accession:CHEBI:64823 term browser browse the term
Definition:A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 3.
Synonyms:related_synonym: 2,3-dimethylbenzenecarboxylic acid;   Formula=C9H10O2;   Hemellitic acid;   InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11);   InChIKey=RIZUCYSQUWMQLX-UHFFFAOYSA-N;   SMILES=Cc1cccc(C(O)=O)c1C
 xref: CAS:603-79-2;   Reaxys:971590
 cyclic_relationship: is_conjugate_acid_of CHEBI:64824


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Term Annotations click to browse term
  CHEBI ontology 1268
    role 1268
      biological role 1268
        antimicrobial agent 125
          antimicrobial food preservative 23
            benzoic acid 2
              2,3-dimethylbenzoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 1268
    subatomic particle 1268
      composite particle 1268
        hadron 1268
          baryon 1268
            nucleon 1268
              atomic nucleus 1268
                atom 1268
                  main group element atom 1261
                    p-block element atom 1261
                      carbon group element atom 1251
                        carbon atom 1250
                          organic molecular entity 1250
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbon oxoacid 368
                                    carboxylic acid 368
                                      aromatic carboxylic acid 19
                                        benzoic acids 16
                                          benzoic acid 2
                                            2,3-dimethylbenzoic acid 0
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