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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:2-[(3S,6aR,8R,10aR)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide
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Accession:CHEBI:101442 term browser browse the term
Definition:An aromatic amine that has formula C22H31FN2O4.
Synonyms:related_synonym: Formula=C22H31FN2O4;   InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18+,20+,21-/m0/s1;   InChIKey=LTCDBOWOUBSGLM-ZSXPUABSSA-N;   SMILES=C1CC(C1)NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC=CC=C4F)O
 xref: LINCS:LSM-12805


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Term Annotations click to browse term
  CHEBI ontology 5067
    role 5032
      application 871
        NMR chemical shift reference compound 421
          ammonia 393
            organic amino compound 286
              aromatic amine 36
                2-[(3S,6aR,8R,10aR)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5067
    subatomic particle 5058
      composite particle 5058
        hadron 5058
          baryon 5058
            nucleon 5058
              atomic nucleus 5058
                atom 5058
                  main group element atom 5028
                    main group molecular entity 5027
                      s-block molecular entity 4958
                        hydrogen molecular entity 4951
                          hydrides 4556
                            inorganic hydride 405
                              pnictogen hydride 401
                                nitrogen hydride 401
                                  azane 393
                                    ammonia 393
                                      organic amino compound 286
                                        aromatic amine 36
                                          2-[(3S,6aR,8R,10aR)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide 0
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