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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)-2-(4-benzylpiperidine-1-carbonyl)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
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Accession:CHEBI:98512 term browser browse the term
Definition:A piperidine that has formula C28H32N4O4.
Synonyms:related_synonym: Formula=C28H32N4O4;   InChI=1S/C28H32N4O4/c33-16-23-22-15-31-24(7-4-8-25(31)34)26(22)32(14-21-17-36-18-29-21)27(23)28(35)30-11-9-20(10-12-30)13-19-5-2-1-3-6-19/h1-8,17-18,20,22-23,26-27,33H,9-16H2/t22-,23-,26+,27-/m0/s1;   InChIKey=YCNDEIYRXZASMY-IDJLGEMNSA-N;   SMILES=C1CN(CCC1CC2=CC=CC=C2)C(=O)[C@@H]3[C@H]([C@@H]4CN5C(=O)C=CC=C5[C@@H]4N3CC6=COC=N6)CO
 xref: LINCS:LSM-9891


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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
                organonitrogen heterocyclic compound 0
                  piperidines 0
                    (2S,3S,3aR,9bR)-2-(4-benzylpiperidine-1-carbonyl)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one 0
Path 2
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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
                                  organic heteromonocyclic compound 0
                                    piperidines 0
                                      (2S,3S,3aR,9bR)-2-(4-benzylpiperidine-1-carbonyl)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one 0
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