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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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: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;   PMID:21765818;   PMID:21969251

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  CHEBI ontology 19771
    role 19716
      biological role 19716
        biochemical role 19304
          metabolite 19286
            alkaloid 5635
              pyrrolizine alkaloid 216
                jaconine N-oxide 0
Path 2
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  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic molecule 19497
                              organic cyclic compound 19321
                                organic heterocyclic compound 18512
                                  organic heteropolycyclic compound 17977
                                    organic heterobicyclic compound 16784
                                      pyrrolizines 386
                                        pyrrolizine alkaloid 216
                                          senecionan 216
                                            senecionine 162
                                              jacoline 0
                                                jaconine 0
                                                  jaconine N-oxide 0
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