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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)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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Accession:CHEBI:111546 term browser browse the term
Definition:A dialkylarylamine that has formula C18H29N3O3.
Synonyms:related_synonym: Formula=C18H29N3O3;   InChI=1S/C18H29N3O3/c1-12-10-21(13(2)11-22)18(23)14-7-6-8-15(20(4)5)17(14)24-16(12)9-19-3/h6-8,12-13,16,19,22H,9-11H2,1-5H3/t12-,13-,16+/m1/s1;   InChIKey=XJHVRUWFSLOUIR-IOASZLSFSA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@H]1CNC)[C@H](C)CO
 xref: LINCS:LSM-22960


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Term Annotations click to browse term
  CHEBI ontology 19915
    role 19885
      application 19727
        NMR chemical shift reference compound 18072
          ammonia 17893
            organic amino compound 17893
              tertiary amino compound 10150
                (2R,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19915
    subatomic particle 19913
      composite particle 19895
        hadron 19895
          baryon 19913
            nucleon 19895
              atomic nucleus 19913
                atom 19895
                  main group element atom 19852
                    main group molecular entity 19834
                      s-block molecular entity 19685
                        hydrogen molecular entity 19647
                          hydrides 19151
                            inorganic hydride 18162
                              pnictogen hydride 18152
                                nitrogen hydride 18065
                                  azane 17894
                                    ammonia 17893
                                      organic amino compound 17893
                                        amine 8310
                                          alkylamines 190
                                            dialkylarylamine 0
                                              (2R,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one 0
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