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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            alkaloid 0
              pyrrolizine alkaloid 0
                jacoline 0
                  dehydrojaconine 0
                  jacoline N-oxide 0
                  jaconine + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteropolycyclic compound 0
                                    organic heterobicyclic compound 0
                                      pyrrolizines 0
                                        pyrrolizine alkaloid 0
                                          senecionan 0
                                            senecionine 0
                                              jacoline 0
                                                dehydrojaconine 0
                                                jacoline N-oxide 0
                                                jaconine + 0
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