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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;   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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  CHEBI ontology 842
    role 819
      application 460
        refrigerant 202
          ammonia 201
            organic amino compound 201
              tertiary amino compound 55
                flavoxate 0
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  CHEBI ontology 842
    subatomic particle 826
      composite particle 826
        hadron 826
          baryon 826
            nucleon 826
              atomic nucleus 826
                atom 826
                  main group element atom 814
                    p-block element atom 811
                      carbon group element atom 782
                        carbon atom 778
                          organic molecular entity 778
                            organic molecule 696
                              organic cyclic compound 617
                                organic heterocyclic compound 329
                                  oxacycle 239
                                    benzopyran 111
                                      1-benzopyran 65
                                        flavonoid 31
                                          flavones 22
                                            3-methylflavone-8-carboxylic acid 0
                                              flavoxate 0
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