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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 494
    chemical entity 501
      molecular entity 494
        ion 32
          organic ion 19
            organic cation 11
              quaternary ammonium ion 5
                tembetarine 0
                  (R)-tembetarine 0
                  (S)-tembetarine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            organic molecule 466
                              organic cyclic compound 449
                                organic heterocyclic compound 419
                                  organonitrogen heterocyclic compound 375
                                    isoquinolines 1
                                      isoquinolinol 0
                                        reticuline 0
                                          tembetarine 0
                                            (R)-tembetarine 0
                                            (S)-tembetarine 0
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