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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 494
    role 501
      chemical role 420
        donor 395
          Bronsted acid 388
            oxoacid 373
              carbon oxoacid 364
                carboxylic acid 364
                  monocarboxylic acid 90
                    indolecarboxylic acid 0
                      3,4-dimethylindole-2-carboxylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            organic molecule 466
                              organic cyclic compound 449
                                organic heterocyclic compound 419
                                  organic heteropolycyclic compound 96
                                    organic heterobicyclic compound 44
                                      benzopyrrole 8
                                        indoles 8
                                          indolecarboxylic acid 0
                                            3,4-dimethylindole-2-carboxylic acid 0
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