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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:3,4-dimethylindole-2-carboxylic acid
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Accession:CHEBI:87459 term browser browse the term
Definition:A member of the class of indolecarboxylic acids that is indole-2-carboxylic acid carrying two methyl substituents at positions 3 and 4.
Synonyms:exact_synonym: 3,4-dimethyl-1H-indole-2-carboxylic acid
 related_synonym: 3,4-dimethyl-2-indolic acid;   Formula=C11H11NO2;   InChI=1S/C11H11NO2/c1-6-4-3-5-8-9(6)7(2)10(12-8)11(13)14/h3-5,12H,1-2H3,(H,13,14);   InChIKey=AYWHJTCRGGXKSW-UHFFFAOYSA-N;   SMILES=Cc1c([nH]c2cccc(C)c12)C(O)=O
 cyclic_relationship: is_conjugate_acid_of CHEBI:87160


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      chemical role 19248
        donor 18377
          Bronsted acid 18240
            oxoacid 18192
              carbon oxoacid 18071
                carboxylic acid 18060
                  monocarboxylic acid 17406
                    indolecarboxylic acid 2
                      3,4-dimethylindole-2-carboxylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic molecule 19486
                              organic cyclic compound 19282
                                organic heterocyclic compound 18407
                                  organic heteropolycyclic compound 17820
                                    organic heterobicyclic compound 16742
                                      benzopyrrole 9339
                                        indoles 9193
                                          indolecarboxylic acid 2
                                            3,4-dimethylindole-2-carboxylic acid 0
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