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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:(13S,14R)-1,13-dihydroxy-N-methylcanadine
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Accession:CHEBI:141639 term browser browse the term
Definition:A quaternary ammonium ion resulting from the methylation of the amino group of (S)-canadine in which the hydrogen at position 1 and the pro-S hydrogen at position 13 have been replaced by hydroxy groups.
Synonyms:exact_synonym: (13S,13aR)-13,14-dihydroxy-9,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
 related_synonym: Formula=C21H24NO6;   InChI=1S/C21H23NO6/c1-22-7-6-11-8-15-21(28-10-27-15)19(24)16(11)17(22)18(23)12-4-5-14(25-2)20(26-3)13(12)9-22/h4-5,8,17-18,23H,6-7,9-10H2,1-3H3/p+1/t17-,18+,22?/m1/s1;   InChIKey=NEHFHOHLVOGDCL-HVHHGIHYSA-O;   SMILES=C1=C2CC[N+]3(CC4=C([C@@H]([C@]3(C2=C(C=5OCOC15)O)[H])O)C=CC(=C4OC)OC)C
 xref: KEGG:C21587;   MetaCyc:CPD-21505;   PMID:25485687;   PMID:29610307


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    role 19726
      biological role 19726
        pharmacological role 18834
          anti-obesity agent 455
            (S)-nandinine 0
              (S)-canadine 0
                (13S,14R)-1,13-dihydroxy-N-methylcanadine 0
                  (13S,14R)-1-hydroxy-13-O-acetyl-N-methylcanadine + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    main group molecular entity 19669
                      s-block molecular entity 19434
                        hydrogen molecular entity 19429
                          hydrides 18757
                            inorganic hydride 17455
                              pnictogen hydride 17431
                                nitrogen hydride 17278
                                  azane 17010
                                    ammonia 17009
                                      organic amino compound 17008
                                        tertiary amino compound 8673
                                          (S)-nandinine 0
                                            (S)-canadine 0
                                              (13S,14R)-1,13-dihydroxy-N-methylcanadine 0
                                                (13S,14R)-1-hydroxy-13-O-acetyl-N-methylcanadine + 0
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