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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:jacoline N-oxide
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Accession:CHEBI:136454 term browser browse the term
Definition:A pyrrolizine alkaloid that is jacoline in which the tertiary amino function has been oxidised to the corresponding N-oxide.
Synonyms:exact_synonym: (3S,5R,6R,14aR,14bR)-3,6-dihydroxy-3-[(1R)-1-hydroxyethyl]-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=C18H27NO8;   InChI=1S/C18H27NO8/c1-10-8-18(24,11(2)20)16(22)27-13-5-7-19(25)6-4-12(14(13)19)9-26-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+,19?/m1/s1;   InChIKey=GIQXQZKTWHFVAB-YVLLADMLSA-N;   SMILES=[C@@]1([C@@H](C)O)(O)C(O[C@H]2[C@@]3([N+](CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)(CC2)[O-])[H])=O


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Term Annotations click to browse term
  CHEBI ontology 19883
    role 19833
      biological role 19833
        biochemical role 19370
          metabolite 19350
            alkaloid 5376
              pyrrolizine alkaloid 214
                jacoline N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            organic molecule 19596
                              organic cyclic compound 19407
                                organic heterocyclic compound 18517
                                  organic heteropolycyclic compound 17907
                                    organic heterobicyclic compound 16828
                                      pyrrolizines 385
                                        pyrrolizine alkaloid 214
                                          senecionan 214
                                            senecionine 160
                                              jacoline 0
                                                jacoline N-oxide 0
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