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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)-tetrahydrocolumbamine
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Accession:CHEBI:17772 term browser browse the term
Definition:A berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration.
Synonyms:exact_synonym: (13aS)-3,9,10-trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-2-ol
 related_synonym: (13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-Dibenzo[a,g]quinolizin-2-ol;   5,8,13,13a-Tetrahydrocolumbamine;   Formula=C20H23NO4;   InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1;   InChIKey=KDFKJOFJHSVROC-INIZCTEOSA-N;   Isocorypalmine;   SMILES=[H][C@@]12Cc3ccc(OC)c(OC)c3CN1CCc1cc(OC)c(O)cc21
 alt_id: CHEBI:11075;   CHEBI:12085;   CHEBI:18803;   CHEBI:2008
 xref: CAS:483-34-1;   KEGG:C04118;   KNApSAcK:C00025632;   Reaxys:4717587


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      biological role 19822
        biochemical role 19533
          metabolite 19519
            alkaloid 7827
              isoquinoline alkaloid 1197
                berberine alkaloid 413
                  (S)-tetrahydrocolumbamine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            organic molecule 19690
                              organic cyclic compound 19501
                                organic heterocyclic compound 18878
                                  organonitrogen heterocyclic compound 18155
                                    dibenzoquinolizine 413
                                      berberine alkaloid 413
                                        columbamine 10
                                          (S)-tetrahydrocolumbamine 0
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