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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:N-methylbulbocapnine(1+)
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Accession:CHEBI:134217 term browser browse the term
Definition:A aporphine alkaloid that is the quaternary ammonium ion obtained by methylation of the tertiary amino group of bulbocapnine.
Synonyms:exact_synonym: (7aS)-12-hydroxy-11-methoxy-7,7-dimethyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-7-ium
 related_synonym: (S)-N-methylbulbocapnine;   (S)-N-methylbulbocapnine(1+);   Formula=C20H22NO4;   InChI=1S/C20H21NO4/c1-21(2)7-6-12-9-15-20(25-10-24-15)18-16(12)13(21)8-11-4-5-14(23-3)19(22)17(11)18/h4-5,9,13H,6-8,10H2,1-3H3/p+1/t13-/m0/s1;   InChIKey=PQVMQKAGJGBKQC-ZDUSSCGKSA-O;   SMILES=C12=C3[C@](CC4=C1C(=C(OC)C=C4)O)([N+](CCC3=CC5=C2OCO5)(C)C)[H]
 xref: PMID:27573242


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19767
    chemical entity 19767
      molecular entity 19766
        ion 15945
          organic ion 8455
            organic cation 7307
              quaternary ammonium ion 5096
                N-methylbulbocapnine(1+) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19767
    subatomic particle 19766
      composite particle 19766
        hadron 19766
          baryon 19766
            nucleon 19766
              atomic nucleus 19766
                atom 19766
                  main group element atom 19657
                    main group molecular entity 19657
                      s-block molecular entity 19421
                        hydrogen molecular entity 19414
                          hydrides 18754
                            inorganic hydride 17459
                              pnictogen hydride 17434
                                nitrogen hydride 17281
                                  azane 17016
                                    ammonia 17015
                                      organic amino compound 17014
                                        tertiary amino compound 8651
                                          aporphine 27
                                            bulbocapnine 0
                                              N-methylbulbocapnine(1+) 0
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