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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:Hernandezine
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Accession:CHEBI:5677 term browser browse the term
Definition:A bisbenzylisoquinoline alkaloid that has formula C39H44N2O7.
Synonyms:related_synonym: Formula=C39H44N2O7;   InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1;   InChIKey=FUZMQNZACIFDBL-KYJUHHDHSA-N;   SMILES=COc1ccc2C[C@@H]3N(C)CCc4c(OC)c(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
 xref: CAS:6681-13-6;   KEGG:C09461;   KNApSAcK:C00001866


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19814
      biological role 19812
        biochemical role 19522
          metabolite 19509
            alkaloid 7825
              isoquinoline alkaloid 1194
                benzylisoquinoline alkaloid 219
                  bisbenzylisoquinoline alkaloid 119
                    Hernandezine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      carbon group element atom 19734
                        carbon atom 19731
                          organic molecular entity 19731
                            heteroorganic entity 19488
                              organonitrogen compound 18810
                                alkaloid 7825
                                  isoquinoline alkaloid 1194
                                    benzylisoquinoline alkaloid 219
                                      bisbenzylisoquinoline alkaloid 119
                                        Hernandezine 0
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