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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:N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
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Accession:CHEBI:128302 term browser browse the term
Definition:A dichlorobenzene that has formula C27H32Cl2F3N3O4.
Synonyms:related_synonym: Formula=C27H32Cl2F3N3O4;   InChI=1S/C27H32Cl2F3N3O4/c1-16-12-35(17(2)15-36)26(38)20-11-19(33-25(37)8-9-27(30,31)32)5-7-23(20)39-24(16)14-34(3)13-18-4-6-21(28)22(29)10-18/h4-7,10-11,16-17,24,36H,8-9,12-15H2,1-3H3,(H,33,37)/t16-,17+,24-/m0/s1;   InChIKey=WYNCONGFJQZCFS-SRGWNRLKSA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@H](C)CO
 xref: LINCS:LSM-39857


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Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      molecular entity 19897
        polyatomic entity 19849
          heteroatomic molecular entity 19806
            halide 18690
              organohalogen compound 18554
                organochlorine compound 18329
                  chlorobenzenes 15073
                    dichlorobenzene 11572
                      N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon group molecular entity 19776
                          organic molecular entity 19772
                            organic molecule 19724
                              organic cyclic compound 19514
                                organic aromatic compound 19378
                                  benzenoid aromatic compound 18040
                                    benzenes 17908
                                      chlorobenzenes 15073
                                        dichlorobenzene 11572
                                          N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide 0
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