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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 19918
    chemical entity 19916
      group 19875
        inorganic group 19454
          sulfo group 9921
            organosulfonic acid 9921
              acetochlor ESA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
                    p-block element atom 19866
                      chalcogen 19612
                        oxygen atom 19586
                          oxygen molecular entity 19586
                            hydroxides 19389
                              oxoacid 18783
                                chalcogen oxoacid 13780
                                  sulfur oxoacid 13568
                                    sulfonic acid 11607
                                      sulfo group 9921
                                        organosulfonic acid 9921
                                          acetochlor ESA 0
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