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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:5-oxobrucine
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Accession:CHEBI:132707 term browser browse the term
Definition:A monoterpenoid indole alkaloid with formula C23H24N2O5, originallly isolated from the seeds of Strychnos nux-vomica.
Synonyms:exact_synonym: 2,3-dimethoxystrychnidine-10,18-dione
 related_synonym: Formula=C23H24N2O5;   InChI=1S/C23H24N2O5/c1-28-15-6-13-14(7-16(15)29-2)25-19(26)8-17-21-12-5-18-23(13,22(21)25)9-20(27)24(18)10-11(12)3-4-30-17/h3,6-7,12,17-18,21-22H,4-5,8-10H2,1-2H3/t12-,17-,18-,21-,22-,23+/m0/s1;   InChIKey=KPEKABODQFNIAE-DNEHAUKLSA-N;   SMILES=C1[C@@]2(N3C(C[C@@]42[C@]5(N(C=6C4=CC(=C(C6)OC)OC)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])=O)[H]
 xref: Reaxys:22594459


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Term Annotations click to browse term
  CHEBI ontology 19770
    chemical entity 19770
      atom 19768
        nonmetal atom 19651
          oxygen atom 19354
            oxygen molecular entity 19354
              organooxygen compound 18877
                ether 16634
                  aromatic ether 15637
                    5-oxobrucine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            organic group 18602
                              organic divalent group 18593
                                organodiyl group 18593
                                  carbonyl group 18506
                                    carbonyl compound 18506
                                      carboxylic acid 18158
                                        carboacyl group 17412
                                          univalent carboacyl group 17412
                                            carbamoyl group 17208
                                              carboxamide 17208
                                                lactam 8048
                                                  gamma-lactam 6282
                                                    5-oxobrucine 0
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