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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 501
    role 501
      biological role 501
        biochemical role 460
          metabolite 451
            alkaloid 14
              indole alkaloid 6
                terpenoid indole alkaloid 4
                  monoterpenoid indole alkaloid 4
                    brucine 0
                      5-oxobrucine 0
                      pseudobrucine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            heteroorganic entity 478
                              organonitrogen compound 412
                                alkaloid 14
                                  indole alkaloid 6
                                    terpenoid indole alkaloid 4
                                      monoterpenoid indole alkaloid 4
                                        brucine 0
                                          5-oxobrucine 0
                                          pseudobrucine 0
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