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ONTOLOGY REPORT - ANNOTATIONS


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 "ChemIDplus";   CAS:15301-69-6 "KEGG COMPOUND";   CAS:15301-69-6 "NIST Chemistry WebBook";   DrugBank:DB01148;   Drug_Central:1175 "DrugCentral";   KEGG:C07809;   KEGG:D07961;   LINCS:LSM-3050;   Patent:US2921070;   Patent:US3350411;   Reaxys:1300115 "Reaxys";   Wikipedia:Flavoxate
 cyclic_relationship: is_conjugate_base_of CHEBI:61236


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  CHEBI ontology 19745
    role 19692
      application 19347
        refrigerant 17097
          ammonia 16695
            organic amino compound 16694
              tertiary amino compound 8556
                flavoxate 0
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  CHEBI ontology 19745
    subatomic particle 19741
      composite particle 19741
        hadron 19741
          baryon 19741
            nucleon 19741
              atomic nucleus 19741
                atom 19741
                  main group element atom 19625
                    p-block element atom 19625
                      carbon group element atom 19519
                        carbon atom 19513
                          organic molecular entity 19513
                            organic molecule 19431
                              organic cyclic compound 19199
                                organic heterocyclic compound 18268
                                  oxacycle 17011
                                    benzopyran 9468
                                      1-benzopyran 9163
                                        flavonoid 6316
                                          flavones 4147
                                            3-methylflavone-8-carboxylic acid 0
                                              flavoxate 0
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