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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:ecgonone methyl ester
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Accession:CHEBI:67115 term browser browse the term
Definition:The methyl ester of (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylic acid (ecgonone).
Synonyms:exact_synonym: methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
 related_synonym: Formula=C10H15NO3;   InChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3/t6-,7+,9+/m0/s1;   InChIKey=WXEMSGQRTGSYOG-LKEWCRSYSA-N;   SMILES=[H][C@]12CC[C@]([H])([C@H](C(=O)C1)C(=O)OC)N2C
 xref: Reaxys:7204103
 cyclic_relationship: is_conjugate_base_of CHEBI:66941


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19883
    role 19833
      application 19505
        fuel 10826
          methanol 3079
            methyl ester 3068
              ecgonone methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      chalcogen 19464
                        oxygen atom 19425
                          oxygen molecular entity 19425
                            hydroxides 19147
                              organic hydroxy compound 18696
                                alcohol 15040
                                  aliphatic alcohol 11155
                                    alkyl alcohol 11107
                                      methanol 3079
                                        methyl ester 3068
                                          ecgonone methyl ester 0
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