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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:tembetarine
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Accession:CHEBI:136682 term browser browse the term
Definition:A quaternary ammonium ion obtained by methylation of the tertiary amino function of reticuline.
Synonyms:exact_synonym: 7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium
 related_synonym: Formula=C20H26NO4;   InChI=1S/C20H25NO4/c1-21(2)8-7-14-11-20(25-4)18(23)12-15(14)16(21)9-13-5-6-19(24-3)17(22)10-13/h5-6,10-12,16H,7-9H2,1-4H3,(H-,22,23)/p+1;   InChIKey=ABSDACFLIMOXJY-UHFFFAOYSA-O;   SMILES=[N+]1(C(C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)O)OC)(C)C
 xref: PMID:11429249;   PMID:17404954;   PMID:26944237;   Reaxys:1553693


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 903
    chemical entity 903
      molecular entity 901
        ion 131
          organic ion 57
            organic cation 38
              quaternary ammonium ion 16
                tembetarine 0
                  (R)-tembetarine 0
                  (S)-tembetarine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 903
    subatomic particle 888
      composite particle 888
        hadron 888
          baryon 888
            nucleon 888
              atomic nucleus 888
                atom 888
                  main group element atom 857
                    p-block element atom 854
                      carbon group element atom 830
                        carbon atom 829
                          organic molecular entity 829
                            organic molecule 745
                              organic cyclic compound 655
                                organic heterocyclic compound 367
                                  organonitrogen heterocyclic compound 225
                                    isoquinolines 5
                                      isoquinolinol 0
                                        reticuline 0
                                          tembetarine 0
                                            (R)-tembetarine 0
                                            (S)-tembetarine 0
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