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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:bruceolline H
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Accession:CHEBI:68919 term browser browse the term
Definition:An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by a hydroxy group at position 6, geminal-methyl groups at position 3 and oxo groups at positions 1 and 2. It has been isolated from the ethanol extract of the stems of Brucea mollis.
Synonyms:exact_synonym: 6-hydroxy-3,3-dimethyl-3,4-dihydrocyclopenta[b]indole-1,2-dione
 related_synonym: Formula=C13H11NO3;   InChI=1S/C13H11NO3/c1-13(2)11-9(10(16)12(13)17)7-4-3-6(15)5-8(7)14-11/h3-5,14-15H,1-2H3;   InChIKey=JGPRUCFGUSXLES-UHFFFAOYSA-N;   SMILES=CC1(C)C(=O)C(=O)c2c1[nH]c1cc(O)ccc21
 xref: PMID:22070654;   Reaxys:22123609


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26050
    role 25966
      biological role 25945
        biochemical role 25178
          metabolite 25108
            alkaloid 8062
              indole alkaloid 2005
                bruceolline H 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    p-block element atom 25850
                      carbon group element atom 25447
                        carbon atom 25405
                          organic molecular entity 25405
                            heteroorganic entity 24781
                              organochalcogen compound 24394
                                organooxygen compound 24071
                                  carbonyl compound 23582
                                    ketone 19360
                                      diketone 1282
                                        alpha-diketone 217
                                          bruceolline H 0
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