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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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  CHEBI ontology 22182
    chemical entity 22181
      atom 22174
        nonmetal atom 22059
          nitrogen atom 20007
            nitrogen molecular entity 20007
              organonitrogen compound 19814
                organonitrogen heterocyclic compound 19070
                  pyridines 11794
                    phenylpyridine 390
                      (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 22182
    subatomic particle 22174
      composite particle 22174
        hadron 22174
          baryon 22174
            nucleon 22174
              atomic nucleus 22174
                atom 22174
                  main group element atom 22108
                    p-block element atom 22108
                      carbon group element atom 21909
                        carbon atom 21835
                          organic molecular entity 21835
                            organic molecule 21652
                              organic cyclic compound 21261
                                organic heterocyclic compound 20329
                                  organic heteromonocyclic compound 18734
                                    pyridines 11794
                                      phenylpyridine 390
                                        (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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