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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:3-[(3aS,4R,9bS)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
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Accession:CHEBI:127565 term browser browse the term
Definition:A quinoline that has formula C25H22FN3O3S.
Synonyms:related_synonym: Formula=C25H22FN3O3S;   InChI=1S/C25H22FN3O3S/c26-19-5-7-20(8-6-19)33(31,32)29-11-10-21-24(15-30)28-23-9-4-18(13-22(23)25(21)29)17-3-1-2-16(12-17)14-27/h1-9,12-13,21,24-25,28,30H,10-11,15H2/t21-,24-,25-/m0/s1;   InChIKey=WTDKFZXRKKYFSG-TUSQITKMSA-N;   SMILES=C1CN([C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C4=CC=CC(=C4)C#N)CO)S(=O)(=O)C5=CC=C(C=C5)F
 xref: LINCS:LSM-39122


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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          molecule 0
            organic molecule 0
              organic cyclic compound 0
                organic aromatic compound 0
                  quinolines 0
                    3-[(3aS,4R,9bS)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile 0
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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
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organonitrogen heterocyclic compound 0
                                    quinolines 0
                                      3-[(3aS,4R,9bS)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile 0
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