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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:(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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Accession:CHEBI:113788 term browser browse the term
Definition:A dichlorobenzene that has formula C25H33Cl2N3O3.
Synonyms:related_synonym: Formula=C25H33Cl2N3O3;   InChI=1S/C25H33Cl2N3O3/c1-16-12-30(17(2)15-31)25(32)19-7-6-8-22(28(3)4)24(19)33-23(16)14-29(5)13-18-9-10-20(26)21(27)11-18/h6-11,16-17,23,31H,12-15H2,1-5H3/t16-,17+,23+/m1/s1;   InChIKey=VYDAAMPIABWJJO-DGGJZMOXSA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@@H](C)CO
 xref: LINCS:LSM-25220


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Term Annotations click to browse term
  CHEBI ontology 19890
    chemical entity 19888
      molecular entity 19887
        polyatomic entity 19839
          heteroatomic molecular entity 19796
            halide 18693
              organohalogen compound 18557
                organochlorine compound 18325
                  chlorobenzenes 15069
                    dichlorobenzene 11566
                      (2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one 0
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Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19888
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19888
              atomic nucleus 19888
                atom 19888
                  main group element atom 19827
                    p-block element atom 19827
                      carbon group element atom 19767
                        carbon group molecular entity 19767
                          organic molecular entity 19763
                            organic molecule 19716
                              organic cyclic compound 19507
                                organic aromatic compound 19372
                                  benzenoid aromatic compound 18041
                                    benzenes 17910
                                      chlorobenzenes 15069
                                        dichlorobenzene 11566
                                          (2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one 0
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