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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:(S)-1-hydroxy-N-methylcanadine
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Accession:CHEBI:141633 term browser browse the term
Definition:A quaternary ammonium ion that is (S)-N-methylcanadine in which the hydrogen at position 14 is substituted by a hydroxy group.
Synonyms:exact_synonym: (13aS)-14-hydroxy-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=C21H24NO5;   InChI=1S/C21H23NO5/c1-22-7-6-13-9-17-21(27-11-26-17)19(23)18(13)15(22)8-12-4-5-16(24-2)20(25-3)14(12)10-22/h4-5,9,15H,6-8,10-11H2,1-3H3/p+1/t15-,22?/m0/s1;   InChIKey=FJOUYKHTSXWRMH-UEDXYCIISA-O;   SMILES=C1=C2CC[N+]3(CC4=C(C[C@]3(C2=C(C=5OCOC15)O)[H])C=CC(=C4OC)OC)C
 xref: KEGG:C21586;   KNApSAcK:C00051845;   MetaCyc:CPD-21506;   PMID:24324259;   PMID:25485687;   PMID:29610307;   Reaxys:27957435

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            alkaloid 0
              (S)-1-hydroxy-N-methylcanadine 0
                (S)-1-hydroxy-cis-N-methylcanadine 0
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  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
                                              (S)-N-methylcanadine 0
                                                (S)-1-hydroxy-N-methylcanadine 0
                                                  (S)-1-hydroxy-cis-N-methylcanadine 0
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