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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 19761
    role 19711
      application 19401
        refrigerant 17470
          ammonia 17006
            organic amino compound 17005
              tertiary amino compound 8650
                flavoxate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic molecule 19493
                              organic cyclic compound 19318
                                organic heterocyclic compound 18510
                                  oxacycle 17544
                                    benzopyran 10275
                                      1-benzopyran 9997
                                        flavonoid 6512
                                          flavones 4197
                                            3-methylflavone-8-carboxylic acid 0
                                              flavoxate 0
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