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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 19896
    role 19868
      biological role 19866
        biochemical role 19573
          metabolite 19561
            alkaloid 8008
              isoquinoline alkaloid 1198
                morphinane alkaloid 696
                  Codeine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19896
    subatomic particle 19894
      composite particle 19894
        hadron 19894
          baryon 19894
            nucleon 19894
              atomic nucleus 19894
                atom 19894
                  main group element atom 19840
                    main group molecular entity 19840
                      p-block molecular entity 19840
                        carbon group molecular entity 19780
                          organic molecular entity 19777
                            heteroorganic entity 19532
                              organonitrogen compound 18848
                                alkaloid 8008
                                  isoquinoline alkaloid 1198
                                    morphinane alkaloid 696
                                      Codeine N-oxide 0
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