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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:9-Demethoxy-18-demethylgardneramine
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Accession:CHEBI:67513 term browser browse the term
Definition:A tropane alkaloid that has formula C21H24N2O4.
Synonyms:related_synonym: Formula=C21H24N2O4;   InChI=1S/C21H24N2O4/c1-25-12-5-15-19(17(6-12)26-2)22-20-21(15)8-16-14(10-27-20)13-7-18(21)23(16)9-11(13)3-4-24/h3,5-6,13-14,16,18,24H,4,7-10H2,1-2H3/b11-3+/t13-,14-,16-,18-,21+/m0/s1;   InChIKey=JHEWUOHZDCTKBI-QPUYBBDMSA-N;   SMILES=[H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\\C1=C/CO)=Nc1c(OC)cc(OC)cc41
 xref: PMID:21425787


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Path 1
Term Annotations click to browse term
  CHEBI ontology 21561
    role 21539
      biological role 21537
        biochemical role 20707
          metabolite 20658
            9-Demethoxy-18-demethylgardneramine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21561
    subatomic particle 21546
      composite particle 21546
        hadron 21546
          baryon 21546
            nucleon 21546
              atomic nucleus 21546
                atom 21546
                  main group element atom 21452
                    p-block element atom 21452
                      carbon group element atom 21246
                        carbon atom 21143
                          organic molecular entity 21143
                            organic molecule 21036
                              organic cyclic compound 20595
                                organic heterocyclic compound 19448
                                  organic heteropolycyclic compound 18967
                                    organic heterobicyclic compound 17741
                                      azabicycloalkane 1984
                                        tropane alkaloid 1549
                                          9-Demethoxy-18-demethylgardneramine 0
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