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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:diuron
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Accession:CHEBI:116509 term browser browse the term
Definition:A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group.
Synonyms:exact_synonym: 3-(3,4-dichlorophenyl)-1,1-dimethylurea
 related_synonym: 1,1-dimethyl-3-(3,4-dichlorophenyl)urea;   1-(3,4-dichlorophenyl)-3,3-dimethylurea;   1-(3,4-dichlorophenyl)-3,3-dimethyluree;   3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff;   3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea;   DCMU;   Formula=C9H10Cl2N2O;   InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14);   InChIKey=XMTQQYYKAHVGBJ-UHFFFAOYSA-N;   N'-(3,4-dichlorophenyl)-N,N-dimethylurea;   N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea;   SMILES=CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
 xref: CAS:330-54-1;   KEGG:C18428;   LINCS:LSM-25609
 xref_mesh: MESH:D004237
 xref: MetaCyc:CPD-16775;   PMID:10866370;   PMID:17142046;   PMID:17449247;   PMID:23081760;   PMID:33400299;   PPDB:260;   Patent:CN103120180;   Patent:CN103125511;   Patent:US2768971;   Pesticides:diuron;   Reaxys:2215168;   Wikipedia:Diuron


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    Path 1
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      CHEBI ontology 19841
        role 19817
          biological role 19815
            xenobiotic 18739
              diuron 2260
    Path 2
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      CHEBI ontology 19841
        subatomic particle 19839
          composite particle 19839
            hadron 19839
              baryon 19839
                nucleon 19839
                  atomic nucleus 19839
                    atom 19839
                      main group element atom 19789
                        p-block element atom 19789
                          carbon group element atom 19737
                            carbon atom 19733
                              organic molecular entity 19733
                                heteroorganic entity 19492
                                  organochalcogen compound 19255
                                    organooxygen compound 19172
                                      carbon oxoacid 18641
                                        carboxylic acid 18638
                                          carboacyl group 17698
                                            univalent carboacyl group 17698
                                              carbamoyl group 17548
                                                carboxamide 17548
                                                  monocarboxylic acid amide 15680
                                                    urea 5580
                                                      ureas 5578
                                                        phenylureas 2614
                                                          3-(3,4-substituted-phenyl)-1,1-dimethylurea 2269
                                                            diuron 2260
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