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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:bruceanol F
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Accession:CHEBI:65528 term browser browse the term
Definition:A quassinoid isolated from Brucea antidysenterica and has been shown to exhibit in vitro cytotoxicity towards several human tumour cell lines.
Synonyms:exact_synonym: methyl (11beta,12alpha,15beta)-15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-2,11,12-trihydroxy-1,16-dioxo-13,20-epoxypicras-2-en-21-oate
 related_synonym: (11beta,12alpha,15beta(E))-15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-picras-2-en-21-oic acid methyl ester;   Formula=C28H36O11;   InChI=1S/C28H36O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h7-8,11,13-14,16,18-21,23,29,31,33H,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,23+,26+,27-,28-/m1/s1;   InChIKey=PCKQDAAUYVCTJJ-XYGKKIDYSA-N;   SMILES=COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\\C=C(/C)C(C)C)C(=O)O[C@@H]3C[C@H]1[C@H](C)C=C(O)C(=O)[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
 xref: CAS:101910-72-9;   PMID:8133299


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Term Annotations click to browse term
  CHEBI ontology 19890
    role 19839
      biological role 19858
        biochemical role 19566
          metabolite 19533
            bruceanol F 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    p-block element atom 19806
                      carbon group element atom 19746
                        carbon atom 19743
                          organic molecular entity 19743
                            heteroorganic entity 19502
                              organochalcogen compound 19264
                                organooxygen compound 19180
                                  ester 17477
                                    carboxylic ester 16735
                                      lactone 13290
                                        delta-lactone 4212
                                          bruceanol F 0
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