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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,3S)-8-(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:124325 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)15-8-14(20(4)5)6-7-16(15)24-17(12)9-19-3/h6-8,12-13,17,19,22H,9-11H2,1-5H3/t12-,13+,17-/m0/s1;   InChIKey=JZJOOCXSIIDRTR-AHIWAGSCSA-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-35767


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Term Annotations click to browse term
  CHEBI ontology 26447
    role 26279
      application 25536
        NMR chemical shift reference compound 20568
          ammonia 20005
            organic amino compound 20005
              tertiary amino compound 10457
                (2R,3S)-8-(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 26447
    subatomic particle 26423
      composite particle 26423
        hadron 26423
          baryon 26423
            nucleon 26423
              atomic nucleus 26423
                atom 26423
                  main group element atom 26169
                    main group molecular entity 26169
                      s-block molecular entity 25443
                        hydrogen molecular entity 24848
                          hydrides 23059
                            inorganic hydride 20552
                              pnictogen hydride 20494
                                nitrogen hydride 20279
                                  azane 20006
                                    ammonia 20005
                                      organic amino compound 20005
                                        amine 8490
                                          alkylamines 190
                                            dialkylarylamine 0
                                              (2R,3S)-8-(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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