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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-9991
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Accession:CHEBI:98612 term browser browse the term
Definition:A pyrazine that has formula C24H21F2N5O4.
Synonyms:related_synonym: Formula=C24H21F2N5O4;   InChI=1S/C24H21F2N5O4/c25-14-6-13(7-15(26)8-14)9-29-23(34)21-16(12-32)19-11-30-18(2-1-3-20(30)33)22(21)31(19)24(35)17-10-27-4-5-28-17/h1-8,10,16,19,21-22,32H,9,11-12H2,(H,29,34)/t16-,19-,21+,22+/m0/s1;   InChIKey=KPHBLEYIQPKXAE-NTSGDEEZSA-N;   SMILES=C1[C@H]2[C@@H]([C@H]([C@H](N2C(=O)C3=NC=CN=C3)C4=CC=CC(=O)N41)C(=O)NCC5=CC(=CC(=C5)F)F)CO
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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          nitrogen atom 0
            nitrogen molecular entity 0
              organonitrogen compound 0
                carboxamide 0
                  secondary carboxamide 0
                    LSM-9991 0
Path 2
Term Annotations click to browse term
  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
                                              secondary carboxamide 0
                                                LSM-9991 0
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