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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:LSM-3488
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Accession:CHEBI:93171 term browser browse the term
Definition:A benzoate ester that has formula C23H15FN2O4S.
Synonyms:related_synonym: Formula=C23H15FN2O4S;   InChI=1S/C23H15FN2O4S/c24-18-9-7-15(8-10-18)22(28)29-11-3-4-12-31-23-26-25-21(30-23)19-13-16-5-1-2-6-17(16)14-20(19)27/h1-2,5-10,13-14,25H,11-12H2;   InChIKey=OMOYVVYFKGYMEU-UHFFFAOYSA-N;   SMILES=C1=CC2=CC(=C3NN=C(O3)SCC#CCOC(=O)C4=CC=C(C=C4)F)C(=O)C=C2C=C1
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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    chemical entity 19832
      group 19791
        inorganic group 19383
          oxo group 18879
            organic oxo compound 18879
              carbonyl compound 18879
                carboxylic ester 16481
                  benzoate ester 5583
                    LSM-3488 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic group 18947
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18879
                                    carbonyl compound 18879
                                      carboxylic acid 18605
                                        aromatic carboxylic acid 12266
                                          benzoic acids 12241
                                            benzoate ester 5583
                                              LSM-3488 0
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