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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)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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Accession:CHEBI:111656 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)20-11-19(28(3)4)7-9-23(20)33-24(16)14-29(5)13-18-6-8-21(26)22(27)10-18/h6-11,16-17,24,31H,12-15H2,1-5H3/t16-,17-,24+/m0/s1;   InChIKey=QSGCCBXTIZPHMD-WOGXIUBCSA-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-23070



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Term Annotations click to browse term
  CHEBI ontology 19834
    chemical entity 19832
      molecular entity 19832
        polyatomic entity 19790
          heteroatomic molecular entity 19747
            halide 18638
              organohalogen compound 18510
                organochlorine compound 18305
                  chlorobenzenes 14844
                    dichlorobenzene 11538
                      (2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon group molecular entity 19730
                          organic molecular entity 19727
                            organic molecule 19680
                              organic cyclic compound 19492
                                organic aromatic compound 19363
                                  benzenoid aromatic compound 17950
                                    benzenes 17805
                                      chlorobenzenes 14844
                                        dichlorobenzene 11538
                                          (2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one 0
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