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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 24379
    role 24289
      biological role 24256
        biochemical role 23645
          metabolite 23564
            9-Demethoxy-18-demethylgardneramine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24379
    subatomic particle 24336
      composite particle 24336
        hadron 24336
          baryon 24336
            nucleon 24336
              atomic nucleus 24336
                atom 24336
                  main group element atom 24182
                    p-block element atom 24182
                      carbon group element atom 23964
                        carbon atom 23925
                          organic molecular entity 23925
                            organic molecule 23807
                              organic cyclic compound 23093
                                organic heterocyclic compound 21232
                                  organic heteropolycyclic compound 20273
                                    organic heterobicyclic compound 17851
                                      azabicycloalkane 1986
                                        tropane alkaloid 1549
                                          9-Demethoxy-18-demethylgardneramine 0
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