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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Definition:A pyrrolizine alkaloid that is erucifoline in which the primary hydroxy hydrogen has been replaced by an acetyl group.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 0
    role 0
      application 0
        pesticide 0
          insecticide 0
            erucifoline 0
              acetylerucifoline 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
                                            erucifoline 0
                                              acetylerucifoline 0
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