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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
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Accession:CHEBI:136452 term browser browse the term
Definition:A pyrrolizine alkaloid obtained from senecionine by formal addition of hydrogen peroxide across the ethylidene double bond.
Synonyms:exact_synonym: (3S,5R,6R,14aR,14bR)-3,6-dihydroxy-3-[(1R)-1-hydroxyethyl]-5,6-dimethyl-3,4,5,6,9,11,13,14,14a,14b-decahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
 related_synonym: (15alpha,20R)-12,15,20-Trihydroxy-15,20-dihydrosenecionan-11,16-dione;   Formula=C18H27NO7;   InChI=1S/C18H27NO7/c1-10-8-18(24,11(2)20)16(22)26-13-5-7-19-6-4-12(14(13)19)9-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1;   InChIKey=FMWJEBGSMAOQNN-YLFNNMARSA-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)[H])=O
 xref: CAS:480-76-2;   KNApSAcK:C00026209;   Reaxys:56051


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Path 1
Term Annotations click to browse term
  CHEBI ontology 503
    role 503
      biological role 503
        biochemical role 460
          metabolite 451
            alkaloid 14
              pyrrolizine alkaloid 0
                jacoline 0
                  dehydrojaconine 0
                  jacoline N-oxide 0
                  jaconine + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 503
    subatomic particle 503
      composite particle 503
        hadron 503
          baryon 503
            nucleon 503
              atomic nucleus 503
                atom 503
                  main group element atom 496
                    p-block element atom 496
                      carbon group element atom 485
                        carbon atom 484
                          organic molecular entity 484
                            organic molecule 473
                              organic cyclic compound 456
                                organic heterocyclic compound 419
                                  organic heteropolycyclic compound 96
                                    organic heterobicyclic compound 44
                                      pyrrolizines 0
                                        pyrrolizine alkaloid 0
                                          senecionan 0
                                            senecionine 0
                                              jacoline 0
                                                dehydrojaconine 0
                                                jacoline N-oxide 0
                                                jaconine + 0
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