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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:asperparaline A
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Accession:CHEBI:68203 term browser browse the term
Definition:An alkaloid isolated from Aspergillus aculeatus.
Synonyms:exact_synonym: (1R,5aR,7R,8aR,9aS)-1,1',8,8,11-pentamethyltetrahydro-1H,2'H,5'H,8H,10H-spiro[5a,9a-(epiminomethano)cyclopenta[f]indolizine-7,3'-pyrrolidine]-2',5',10-trione
 related_synonym: Formula=C20H29N3O3;   InChI=1S/C20H29N3O3/c1-12-6-7-23-11-19-10-18(9-14(24)21(4)15(18)25)17(2,3)13(19)8-20(12,23)16(26)22(19)5/h12-13H,6-11H2,1-5H3/t12-,13-,18-,19+,20+/m1/s1;   InChIKey=RTNMRJRMTGSUAE-DWPFRNKMSA-N;   SMILES=C[C@@H]1CCN2C[C@@]34C[C@@]5(CC(=O)N(C)C5=O)C(C)(C)[C@H]3C[C@@]12C(=O)N4C;   aspergillimide
 xref: PMID:10705455;   PMID:21667999;   Reaxys:7888526


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19773
    role 19719
      biological role 19719
        biochemical role 19312
          metabolite 19294
            alkaloid 5647
              asperparaline A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    p-block element atom 19662
                      p-block molecular entity 19662
                        carbon group molecular entity 19579
                          organic molecular entity 19569
                            organic molecule 19502
                              organic cyclic compound 19329
                                organic heterocyclic compound 18544
                                  organonitrogen heterocyclic compound 17522
                                    azaspiro compound 819
                                      asperparaline A 0
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