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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:acetochlor ESA
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Accession:CHEBI:83452 term browser browse the term
Definition:An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by an (ethoxymethyl)(2-ethyl-6-methylphenyl)amino group at position 2.
Synonyms:exact_synonym: 2-[(ethoxymethyl)(2-ethyl-6-methylphenyl)amino]-2-oxoethanesulfonic acid
 related_synonym: Formula=C14H21NO5S;   InChI=1S/C14H21NO5S/c1-4-12-8-6-7-11(3)14(12)15(10-20-5-2)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19);   InChIKey=HXAIQOCRALNGKB-UHFFFAOYSA-N;   SMILES=CCOCN(C(=O)CS(O)(=O)=O)c1c(C)cccc1CC;   acetochlor ethanesulfonic acid
 xref: PMID:15543734;   PMID:15888886;   PMID:16793112;   PMID:20206657;   PMID:24691721;   Reaxys:7826743



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Path 1
Term Annotations click to browse term
  CHEBI ontology 22178
    chemical entity 22177
      group 22072
        inorganic group 21022
          sulfo group 10346
            organosulfonic acid 10346
              acetochlor ESA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22170
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      chalcogen 21430
                        oxygen atom 21409
                          oxygen molecular entity 21409
                            hydroxides 20781
                              oxoacid 20076
                                chalcogen oxoacid 14383
                                  sulfur oxoacid 14168
                                    sulfonic acid 12013
                                      sulfo group 10346
                                        organosulfonic acid 10346
                                          acetochlor ESA 0
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