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ONTOLOGY REPORT - ANNOTATIONS


Term:bruceolline M
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Accession:CHEBI:68924 term browser browse the term
Definition:An indole alkaloid that is 1H-indole substituted by a 3-hydroxy-3-methyl-2-oxobutyl group at position 3 and a beta-D-glucopyranosyl group attached to the indolic nitrogen. It has been isolated from the ethanol extract of the stems of Brucea mollis.
Synonyms:exact_synonym: 1-(beta-D-glucopyranosyl)-3-(3-hydroxy-3-methyl-2-oxobutyl)-1H-indole
 related_synonym: Formula=C19H25NO7;   InChI=1S/C19H25NO7/c1-19(2,26)14(22)7-10-8-20(12-6-4-3-5-11(10)12)18-17(25)16(24)15(23)13(9-21)27-18/h3-6,8,13,15-18,21,23-26H,7,9H2,1-2H3/t13-,15-,16+,17-,18-/m1/s1;   InChIKey=GYKOURUXQLVTDZ-SOVHRIKKSA-N;   SMILES=CC(C)(O)C(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12
 xref: PMID:22070654 "Europe PMC";   Reaxys:22123612 "Reaxys"


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19654
    role 19598
      biological role 19596
        biochemical role 19125
          metabolite 19093
            alkaloid 5265
              indole alkaloid 1822
                bruceolline M 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            organic group 18331
                              organic divalent group 18321
                                organodiyl group 18321
                                  carbonyl group 18209
                                    carbonyl compound 18209
                                      ketone 15780
                                        oxyketone 8436
                                          alpha-oxyketone 8436
                                            alpha-hydroxy ketone 8436
                                              tertiary alpha-hydroxy ketone 8256
                                                bruceolline M 0
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