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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:jacozine N-oxide
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Accession:CHEBI:136459 term browser browse the term
Definition:A pyrrolizine alkaloid that is jacozine in which the tertiary amino function has been oxidised to the corresponding N-oxide.
Synonyms:exact_synonym: (3S,3'S,6R,14aR,14bR)-6-hydroxy-3',6-dimethyl-5-methylidene-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=C18H23NO7;   InChI=1S/C18H23NO7/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/h4,11,13-14,22H,1,5-9H2,2-3H3/t11-,13+,14+,17+,18-,19?/m0/s1;   InChIKey=RMTPAMODVDZQGC-HIQZRIJHSA-N;   SMILES=[C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4([N+](CC=C4COC([C@](C(C2)=C)(C)O)=O)(CC3)[O-])[H])=O
 xref: PMID:18220326;   PMID:25666592


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Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        biochemical role 19360
          metabolite 19341
            alkaloid 5372
              pyrrolizine alkaloid 214
                jacozine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic molecule 19586
                              organic cyclic compound 19395
                                organic heterocyclic compound 18511
                                  organic heteromonocyclic compound 16621
                                    saturated organic heteromonocyclic parent 5817
                                      oxirane 5784
                                        epoxide 5782
                                          spiro-epoxide 24
                                            jacozine 0
                                              jacozine N-oxide 0
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