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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of the amino group of (S)-canadine in which the hydrogen at position 1 and the pro-S hydrogen at position 13 have been replaced by hydroxy groups.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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        pharmacological role 0
          anti-obesity agent 0
            (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 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        tertiary amino compound 0
                                          (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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