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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:acetylerucifoline
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Accession:CHEBI:136464 term browser browse the term
Definition:A pyrrolizine alkaloid that is erucifoline in which the primary hydroxy hydrogen has been replaced by an acetyl group.
Synonyms:exact_synonym: [(5aR,8Z,9aS,10aR,13bR)-8-ethylidene-10a-methyl-7,11-dioxo-2,4,5,5a,8,9,10a,11,13,13b-decahydrooxireno[8,9][1,6]dioxacyclododecino[2,3,4-gh]pyrrolizin-9a(7H)-yl]methyl acetate
 related_synonym: Formula=C20H25NO7;   InChI=1S/C20H25NO7/c1-4-13-9-20(11-26-12(2)22)19(3,28-20)18(24)25-10-14-5-7-21-8-6-15(16(14)21)27-17(13)23/h4-5,15-16H,6-11H2,1-3H3/b13-4-/t15-,16-,19+,20+/m1/s1;   InChIKey=PSLAXCVGXXVNFJ-YUGYSJAISA-N;   O-acetylerucifoline;   SMILES=C/1(\\C[C@]2(O[C@]2(C(=O)OCC3=CCN4CC[C@@H](OC1=O)[C@@]34[H])C)COC(=O)C)=C/C
 xref: PMID:21819407;   PMID:29191163


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Term Annotations click to browse term
  CHEBI ontology 19890
    role 19839
      application 19703
        pesticide 18059
          insecticide 16848
            erucifoline 1
              acetylerucifoline 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    p-block element atom 19806
                      carbon group element atom 19746
                        carbon atom 19743
                          organic molecular entity 19743
                            organic molecule 19714
                              organic cyclic compound 19485
                                organic heterocyclic compound 18881
                                  organic heteropolycyclic compound 18290
                                    organic heterobicyclic compound 17234
                                      pyrrolizines 829
                                        pyrrolizine alkaloid 629
                                          senecionan 631
                                            erucifoline 1
                                              acetylerucifoline 0
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