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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:jacobine N-oxide
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Accession:CHEBI:136451 term browser browse the term
Definition:A pyrrolizine alkaloid that is jacobine in which the tertiary amino function has been oxidised to the corresponding N-oxide.
Synonyms:exact_synonym: (3S,3'S,5R,6R,14aR,14bR)-6-hydroxy-3',5,6-trimethyl-12-oxo-5,6,11,12,13,14,14a,14b-octahydro-2H,9H-spiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-3,2'-oxirane]-2,7(4H)-dione
 related_synonym: Formula=C18H25NO7;   InChI=1S/C18H25NO7/c1-10-8-18(11(2)26-18)16(21)25-13-5-7-19(23)6-4-12(14(13)19)9-24-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+,19?/m1/s1;   InChIKey=NKRQJWQYBNTAEV-SAJQNFQWSA-N;   SMILES=[C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4([N+](CC=C4COC([C@]([C@@H](C2)C)(C)O)=O)(CC3)[O-])[H])=O
 xref: PMID:28267991;   Reaxys:20340584


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  CHEBI ontology 19817
    role 19767
      application 19445
        pesticide 16593
          insecticide 13869
            jacobine N-oxide 0
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  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    p-block element atom 19705
                      carbon group element atom 19614
                        carbon atom 19603
                          organic molecular entity 19603
                            organic molecule 19532
                              organic cyclic compound 19348
                                organic heterocyclic compound 18475
                                  organic heteromonocyclic compound 16598
                                    saturated organic heteromonocyclic parent 5820
                                      oxirane 5787
                                        epoxide 5785
                                          spiro-epoxide 24
                                            jacobine N-oxide 0
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