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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:flavoxate
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Accession:CHEBI:5088 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol.
Synonyms:exact_synonym: 2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate
 related_synonym: 2-(1-piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate;   2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate;   2-piperidinoethyl 3-methylflavone-8-carboxylate;   Formula=C24H25NO4;   InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3;   InChIKey=SPIUTQOUKAMGCX-UHFFFAOYSA-N;   SMILES=Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1;   beta-piperidinoethyl 3-methylflavone-8-carboxylate;   flavoxato;   flavoxatum
 xref: CAS:15301-69-6;   DrugBank:DB01148;   Drug_Central:1175;   KEGG:C07809;   KEGG:D07961;   LINCS:LSM-3050;   Patent:US2921070;   Patent:US3350411;   Reaxys:1300115;   Wikipedia:Flavoxate
 cyclic_relationship: is_conjugate_base_of CHEBI:61236



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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        NMR chemical shift reference compound 0
          ammonia 0
            organic amino compound 0
              tertiary amino compound 0
                flavoxate 0
Path 2
Term Annotations click to browse term
  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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        flavonoid 0
                                          anthoxanthin 0
                                            flavones 0
                                              3-methylflavone-8-carboxylic acid 0
                                                flavoxate 0
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