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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 19904
    role 19875
      application 19718
        fuel 11378
          methanol 3991
            methyl ester 3936
              ecgonone methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19904
    subatomic particle 19902
      composite particle 19902
        hadron 19902
          baryon 19902
            nucleon 19902
              atomic nucleus 19902
                atom 19902
                  main group element atom 19841
                    p-block element atom 19841
                      chalcogen 19593
                        oxygen atom 19565
                          oxygen molecular entity 19565
                            hydroxides 19377
                              organic hydroxy compound 18984
                                alcohol 15748
                                  aliphatic alcohol 11943
                                    alkyl alcohol 11854
                                      methanol 3991
                                        methyl ester 3936
                                          ecgonone methyl ester 0
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