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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:acetylseneciphylline
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Accession:CHEBI:136430 term browser browse the term
Definition:A pyrrolizine alkaloid that is seneciphylline in which the hydroxy hydrogen has been replaced by an acetyl group.
Synonyms:exact_synonym: (3Z,6R,14aR,14bR)-3-ethylidene-6-methyl-5-methylidene-2,7-dioxo-2,3,4,5,6,7,9,11,13,14,14a,14b-dodecahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizin-6-yl acetate
 related_synonym: (15Z)-11,16-dioxo-13,19-didehydrosenecionan-12-yl acetate;   Formula=C20H25NO6;   InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5-/t16-,17-,20-/m1/s1;   InChIKey=CTCKXBIRQMSUIU-BYVYPXNKSA-N;   O-acetylseneciphylline;   SMILES=[C@@]12(N3CC[C@H]1OC(/C(/CC(=C)[C@](C(OCC2=CC3)=O)(OC(=O)C)C)=C\\C)=O)[H];   Seneciphylline acetate
 xref: CAS:90341-45-0;   Chemspider:28424469;   KNApSAcK:C00026182;   PMID:21969251;   PMID:25269662;   Reaxys:6668336


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19870
      biological role 19868
        biochemical role 19579
          metabolite 19566
            alkaloid 8035
              pyrrolizine alkaloid 632
                acetylseneciphylline 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19537
                              organochalcogen compound 19297
                                organooxygen compound 19215
                                  carbon oxoacid 18693
                                    carboxylic acid 18690
                                      monocarboxylic acid 18028
                                        acetic acid 11097
                                          acetate ester 4060
                                            acetylseneciphylline 0
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