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ONTOLOGY REPORT - ANNOTATIONS


Term:jaconine N-oxide
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Accession:CHEBI:136457 term browser browse the term
Definition:A pyrrolizine alkaloid that is jaconine in which the tertiary amino function has been oxidised to the corresponding N-oxide.
Synonyms:exact_synonym: (3R,5R,6R,14aR,14bR)-3-[(1R)-1-chloroethyl]-3,6-dihydroxy-5,6-dimethyl-12-oxo-3,4,5,6,11,12,13,14,14a,14b-decahydro-9H-12lambda(5)-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
 related_synonym: Formula=C18H26ClNO7;   InChI=1S/C18H26ClNO7/c1-10-8-18(24,11(2)19)16(22)27-13-5-7-20(25)6-4-12(14(13)20)9-26-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+,20?/m1/s1;   InChIKey=QVYOXJXCZNKVGZ-SDBPLCPMSA-N;   SMILES=[C@@]1([C@@H](C)Cl)(O)C(O[C@H]2[C@@]3([N+](CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)(CC2)[O-])[H])=O
 xref: PMID:21475395 "Europe PMC";   PMID:21765818 "Europe PMC";   PMID:21969251 "Europe PMC"


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Term Annotations click to browse term
  CHEBI ontology 19596
    role 19539
      biological role 19537
        biochemical role 19055
          metabolite 19020
            alkaloid 5184
              pyrrolizine alkaloid 131
                jaconine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19596
    subatomic particle 19592
      composite particle 19592
        hadron 19592
          baryon 19592
            nucleon 19592
              atomic nucleus 19592
                atom 19592
                  main group element atom 19471
                    p-block element atom 19471
                      carbon group element atom 19345
                        carbon atom 19337
                          organic molecular entity 19337
                            organic molecule 19254
                              organic cyclic compound 19041
                                organic heterocyclic compound 18111
                                  organic heteropolycyclic compound 17349
                                    organic heterobicyclic compound 15875
                                      pyrrolizines 168
                                        pyrrolizine alkaloid 131
                                          senecionan 131
                                            senecionine 76
                                              jacoline 0
                                                jaconine 0
                                                  jaconine N-oxide 0
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