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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:Codeine N-oxide
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Accession:CHEBI:175049 term browser browse the term
Synonyms:exact_synonym: (3S,4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-3-oxido-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzouro[3,2-e]isoquinolin-3-ium-7-ol
 related_synonym: Formula=C18H21NO4;   InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-,19-/m0/s1;   InChIKey=BDLSDHWCOJPHIE-KFUGMXNISA-N;   SMILES=O1[C@@]2([C@]34[C@]([C@]([N@@+]([O-])(CC3)C)(CC5=C4C1=C(OC)C=C5)[H])(C=C[C@@H]2O)[H])[H]
 xref: Chemspider:4514400;   DrugBank:DB01568


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26089
    role 26005
      biological role 25984
        biochemical role 25213
          metabolite 25143
            alkaloid 8070
              isoquinoline alkaloid 1230
                morphinane alkaloid 701
                  Codeine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26089
    subatomic particle 26064
      composite particle 26064
        hadron 26064
          baryon 26064
            nucleon 26064
              atomic nucleus 26064
                atom 26064
                  main group element atom 25891
                    main group molecular entity 25891
                      p-block molecular entity 25886
                        carbon group molecular entity 25478
                          organic molecular entity 25437
                            heteroorganic entity 24805
                              organonitrogen compound 21951
                                alkaloid 8070
                                  isoquinoline alkaloid 1230
                                    morphinane alkaloid 701
                                      Codeine N-oxide 0
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