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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:brucine
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Accession:CHEBI:3193 term browser browse the term
Definition:A monoterpenoid indole alkaloid that has formula C23H26N2O4.
Synonyms:related_synonym: Formula=C23H26N2O4;   InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1;   InChIKey=RRKTZKIUPZVBMF-IBTVXLQLSA-N;   SMILES=COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC
 xref: CAS:357-57-3;   KEGG:C09084;   KNApSAcK:C00001695;   LINCS:LSM-5758
 xref_mesh: MESH:C083806
 xref: PPDB:3151


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brucine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G CHRM2 cholinergic receptor muscarinic 2 multiple interactions EXP brucine analog promotes the reaction [N-Methylscopolamine binds to CHRM2 protein] CTD PMID:12757728 NCBI chr18:12,455,139...12,600,314
Ensembl chr18:12,455,150...12,600,249
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 880
    role 860
      biological role 860
        biochemical role 729
          metabolite 717
            alkaloid 46
              indole alkaloid 15
                terpenoid indole alkaloid 2
                  monoterpenoid indole alkaloid 1
                    brucine 1
                      5-oxobrucine 0
                      pseudobrucine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 880
    subatomic particle 865
      composite particle 865
        hadron 865
          baryon 865
            nucleon 865
              atomic nucleus 865
                atom 865
                  main group element atom 855
                    p-block element atom 852
                      carbon group element atom 828
                        carbon atom 827
                          organic molecular entity 827
                            organic group 392
                              cyclic organic group 15
                                organic heterobicyclic ring 15
                                  indole skeleton 15
                                    indole alkaloid 15
                                      terpenoid indole alkaloid 2
                                        monoterpenoid indole alkaloid 1
                                          brucine 1
                                            5-oxobrucine 0
                                            pseudobrucine 0
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