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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-[(3R,6aS,8S,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
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Accession:CHEBI:100090 term browser browse the term
Definition:An aromatic amine that has formula C25H29ClF2N2O4.
Synonyms:related_synonym: Formula=C25H29ClF2N2O4;   InChI=1S/C25H29ClF2N2O4/c26-18-3-1-16(2-4-18)11-29-25(32)10-21-6-8-23-24(34-21)15-33-14-20(31)13-30(23)12-17-9-19(27)5-7-22(17)28/h1-5,7,9,20-21,23-24,31H,6,8,10-15H2,(H,29,32)/t20-,21+,23+,24-/m1/s1;   InChIKey=VYCGBAYEGCCJIH-AWAHEQQVSA-N;   SMILES=C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=C(C=CC(=C3)F)F)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)Cl
 xref: LINCS:LSM-11469


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  CHEBI ontology 0
    role 0
      application 0
        NMR chemical shift reference compound 0
          ammonia 0
            organic amino compound 0
              aromatic amine 0
                2-[(3R,6aS,8S,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide 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
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        aromatic amine 0
                                          2-[(3R,6aS,8S,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide 0
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