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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:19(E)-18-Demethoxygardfloramine-N(4)-oxide
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Accession:CHEBI:67508 term browser browse the term
Definition:A tropane alkaloid that has formula C21H22N2O5.
Synonyms:related_synonym: Formula=C21H22N2O5;   InChI=1S/C21H22N2O5/c1-3-10-7-23(24)14-6-21-16(23)4-11(10)12(14)8-26-20(21)22-13-5-15-18(28-9-27-15)19(25-2)17(13)21/h3,5,11-12,14,16H,4,6-9H2,1-2H3/b10-3-/t11-,12-,14-,16-,21-,23?/m0/s1;   InChIKey=DQZDTIUNCHBKJR-NBSCQXKLSA-N;   SMILES=[H][C@]12C[C@@]3([H])[C@]45C[C@@]([H])([C@@]1([H])COC4=Nc1cc4OCOc4c(OC)c51)[N+]3([O-])C\\C2=C\\C
 xref: PMID:21425787


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19883
    role 19833
      biological role 19833
        biochemical role 19370
          metabolite 19350
            19(E)-18-Demethoxygardfloramine-N(4)-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    main group molecular entity 19771
                      s-block molecular entity 19520
                        hydrogen molecular entity 19512
                          hydrides 18784
                            inorganic hydride 17511
                              pnictogen hydride 17484
                                nitrogen hydride 17327
                                  azane 17043
                                    ammonia 17042
                                      organic amino compound 17041
                                        tertiary amino compound 8656
                                          tertiary amine oxide 25
                                            19(E)-18-Demethoxygardfloramine-N(4)-oxide 0
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