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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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      CHEBI ontology 19908
        role 19883
          biological role 19881
            xenobiotic 18772
              diuron 2259
    Path 2
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      CHEBI ontology 19908
        subatomic particle 19906
          composite particle 19906
            hadron 19906
              baryon 19906
                nucleon 19906
                  atomic nucleus 19906
                    atom 19906
                      main group element atom 19853
                        p-block element atom 19853
                          carbon group element atom 19799
                            carbon atom 19794
                              organic molecular entity 19794
                                organic group 18960
                                  organic divalent group 18941
                                    organodiyl group 18941
                                      carbonyl group 18893
                                        carbonyl compound 18893
                                          carboxylic acid 18614
                                            carboacyl group 17709
                                              univalent carboacyl group 17709
                                                carbamoyl group 17556
                                                  carboxamide 17556
                                                    monocarboxylic acid amide 15656
                                                      urea 5566
                                                        ureas 5564
                                                          phenylureas 2613
                                                            3-(3,4-substituted-phenyl)-1,1-dimethylurea 2269
                                                              diuron 2259
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