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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:Gardfloramine-N(4)-oxide
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Accession:CHEBI:67509 term browser browse the term
Definition:A tropane alkaloid that has formula C22H24N2O6.
Synonyms:related_synonym: Formula=C22H24N2O6;   InChI=1S/C22H24N2O6/c1-26-4-3-11-8-24(25)15-7-22-17(24)5-12(11)13(15)9-28-21(22)23-14-6-16-19(30-10-29-16)20(27-2)18(14)22/h3,6,12-13,15,17H,4-5,7-10H2,1-2H3/b11-3+/t12-,13-,15-,17-,22-,24?/m0/s1;   InChIKey=FQANJORSAXRKGA-SOFUXURLSA-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/COC
 xref: PMID:21425787


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Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        biochemical role 19360
          metabolite 19341
            Gardfloramine-N(4)-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    main group molecular entity 19763
                      s-block molecular entity 19511
                        hydrogen molecular entity 19503
                          hydrides 18775
                            inorganic hydride 17505
                              pnictogen hydride 17478
                                nitrogen hydride 17323
                                  azane 17040
                                    ammonia 17039
                                      organic amino compound 17038
                                        tertiary amino compound 8652
                                          tertiary amine oxide 25
                                            Gardfloramine-N(4)-oxide 0
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