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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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  CHEBI ontology 226
    role 226
      biological role 226
        biochemical role 187
          metabolite 180
            9-Demethoxy-18-demethylgardneramine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 226
    subatomic particle 226
      composite particle 226
        hadron 226
          baryon 226
            nucleon 226
              atomic nucleus 226
                atom 226
                  main group element atom 219
                    p-block element atom 219
                      carbon group element atom 208
                        carbon atom 207
                          organic molecular entity 207
                            organic molecule 201
                              organic cyclic compound 185
                                organic heterocyclic compound 143
                                  organic heteropolycyclic compound 64
                                    organic heterobicyclic compound 26
                                      azabicycloalkane 2
                                        tropane alkaloid 2
                                          9-Demethoxy-18-demethylgardneramine 0
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