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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:ankorine
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Accession:CHEBI:2740 term browser browse the term
Definition:A pyridoisoquinoline that is 1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline which is substituted at positions 2, 3, and 8 by 2-hydroxyethyl, ethyl, and hydroxy groups, respectively, and by methoxy groups at positions 9 and 10 (the 2R,3R,11bS stereoisomer). It is a benzo[a]quinolizidine alkaloid isolated from the Indian medicinal plant Alangium lamarckii.
Synonyms:exact_synonym: (2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-8-ol
 related_synonym: Formula=C19H29NO4;   InChI=1S/C19H29NO4/c1-4-12-11-20-7-5-14-15(16(20)9-13(12)6-8-21)10-17(23-2)19(24-3)18(14)22/h10,12-13,16,21-22H,4-9,11H2,1-3H3/t12-,13-,16-/m0/s1;   InChIKey=UYQRWUWLBSTWCM-XEZPLFJOSA-N;   SMILES=CC[C@H]1CN2CCc3c(O)c(OC)c(OC)cc3[C@@H]2C[C@@H]1CCO
 xref: CAS:13849-54-2;   KEGG:C09337;   KNApSAcK:C00001805;   PMID:12150812;   PMID:14301596;   PMID:25386948;   Reaxys:1549609

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  CHEBI ontology 2
    role 2
      biological role 2
        biochemical role 2
          metabolite 2
            alkaloid 1
              isoquinoline alkaloid 0
                ankorine 0
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  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    main group molecular entity 2
                      s-block molecular entity 1
                        hydrogen molecular entity 1
                          hydrides 1
                            inorganic hydride 1
                              pnictogen hydride 1
                                nitrogen hydride 1
                                  azane 1
                                    ammonia 1
                                      organic amino compound 1
                                        tertiary amino compound 1
                                          ankorine 0
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