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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:metsulfuron methyl
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Accession:CHEBI:39678 term browser browse the term
Definition:A N-sulfonylurea in which the sulfonyl group is attached to a 2-(methoxycarbonyl)phenyl group while a (4-methoxy-6-methyl-1,3,5-triazin-2-yl group replaces one of the amino hydrogens of the remaining urea group.
Synonyms:exact_synonym: methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate
 related_synonym: Formula=C14H15N5O6S;   InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21);   InChIKey=RSMUVYRMZCOLBH-UHFFFAOYSA-N;   Metsulfuron methyl ester;   SMILES=COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
 alt_id: CHEBI:6910
 xref: CAS:74223-64-6;   KEGG:C10946
 xref_mesh: MESH:C050296
 xref: PDBeChem:1MM;   PMID:21036398;   PMID:23348034;   PMID:23972318;   PPDB:470;   Pesticides:metsulfuron-methyl;   Reaxys:587472;   Wikipedia:Metsulfuron-methyl

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  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          metsulfuron methyl 0
Path 2
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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
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                urea 0
                                                  ureas 0
                                                    N-sulfonylurea 0
                                                      metsulfuron methyl 0
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