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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:(2S,3S,3aR,9bR)-1-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-N-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
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Accession:CHEBI:102385 term browser browse the term
Definition:A phenylpyridine that has formula C26H30FN5O3.
Synonyms:related_synonym: Formula=C26H30FN5O3;   InChI=1S/C26H30FN5O3/c1-3-31-23-20(21(14-33)24(31)25(34)28-11-10-18-12-30(2)15-29-18)13-32-22(23)9-8-19(26(32)35)16-4-6-17(27)7-5-16/h4-9,12,15,20-21,23-24,33H,3,10-11,13-14H2,1-2H3,(H,28,34)/t20-,21-,23+,24-/m0/s1;   InChIKey=QCFMKJOQGAVCFD-ZQRMPTRQSA-N;   SMILES=CCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]([C@H]1C(=O)NCCC5=CN(C=N5)C)CO
 xref: LINCS:LSM-13736


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Term Annotations click to browse term
  CHEBI ontology 26040
    chemical entity 26019
      atom 26015
        nonmetal atom 25503
          nitrogen atom 22528
            nitrogen molecular entity 22528
              organonitrogen compound 21922
                organonitrogen heterocyclic compound 20332
                  pyridines 12190
                    phenylpyridine 380
                      (2S,3S,3aR,9bR)-1-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-N-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26040
    subatomic particle 26015
      composite particle 26015
        hadron 26015
          baryon 26015
            nucleon 26015
              atomic nucleus 26015
                atom 26015
                  main group element atom 25840
                    p-block element atom 25840
                      carbon group element atom 25437
                        carbon atom 25395
                          organic molecular entity 25395
                            organic molecule 25223
                              organic cyclic compound 24277
                                organic heterocyclic compound 22320
                                  organic heteromonocyclic compound 19213
                                    pyridines 12190
                                      phenylpyridine 380
                                        (2S,3S,3aR,9bR)-1-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-N-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide 0
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