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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:alachlor OXA
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Accession:CHEBI:83450 term browser browse the term
Definition:An oxo monocarboxylic acid that is oxoacetic acid substituted by a (2,6-diethylphenyl)(methoxymethyl)amino group at position 2. It is a metabolite of the herbicide alachlor.
Synonyms:exact_synonym: [(2,6-diethylphenyl)(methoxymethyl)amino](oxo)acetic acid
 related_synonym: Formula=C14H19NO4;   InChI=1S/C14H19NO4/c1-4-10-7-6-8-11(5-2)12(10)15(9-19-3)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18);   InChIKey=MHCYOELBTPOBIU-UHFFFAOYSA-N;   SMILES=CCc1cccc(CC)c1N(COC)C(=O)C(O)=O;   alachlor oxanilic acid
 xref: PMID:10805235;   PMID:15843642;   PMID:20206657;   Reaxys:7819651


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            xenobiotic metabolite 0
              marine xenobiotic metabolite 0
                alachlor OXA 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic acid 0
                                        monocarboxylic acid 0
                                          oxo monocarboxylic acid 0
                                            alachlor OXA 0
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