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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:vernakalant
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Accession:CHEBI:135956 term browser browse the term
Synonyms:related_synonym: Formula=C20H31NO4;   InChI=1S/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1;   InChIKey=VBHQKCBVWWUUKN-KZNAEPCWSA-N;   RSD1235;   SMILES=O(CCC1=CC(OC)=C(C=C1)OC)[C@H]2[C@@H](CCCC2)N3CC[C@H](C3)O;   brinavess;   vernakalant HCl;   vernakalant hydrochloride
 xref: CAS:794466-70-9;   Drug_Central:4365


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    chemical entity 19841
      molecular entity 19839
        polyatomic entity 19754
          heteroatomic molecular entity 19681
            hydroxides 19113
              organic hydroxy compound 18674
                alcohol 15019
                  vernakalant 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19732
                    p-block element atom 19732
                      carbon group element atom 19636
                        carbon atom 19625
                          organic molecular entity 19625
                            organic molecule 19556
                              organic cyclic compound 19365
                                organic aromatic compound 19192
                                  phenols 18159
                                    vernakalant 0
paths to the root