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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:4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone
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Accession:CHEBI:94538 term browser browse the term
Definition:An aromatic ketone that has formula C17H25NO4.
Synonyms:related_synonym: Formula=C17H25NO4;   InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3;   InChIKey=OWYLAEYXIQKAOL-UHFFFAOYSA-N;   SMILES=COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC;   buflomedil HCl;   buflomedil hydrochloride
 xref: CAS:55837-25-7;   Drug_Central:422;   LINCS:LSM-5365
 xref_mesh: MESH:C010651


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4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO buflomedil inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19932
    chemical entity 19930
      group 19888
        inorganic group 19460
          oxo group 18945
            organic oxo compound 18945
              carbonyl compound 18945
                ketone 17194
                  aromatic ketone 12459
                    4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19932
    subatomic particle 19930
      composite particle 19930
        hadron 19930
          baryon 19930
            nucleon 19930
              atomic nucleus 19930
                atom 19930
                  main group element atom 19876
                    p-block element atom 19876
                      carbon group element atom 19816
                        carbon atom 19812
                          organic molecular entity 19812
                            heteroorganic entity 19559
                              organochalcogen compound 19317
                                organooxygen compound 19231
                                  carbonyl compound 18945
                                    ketone 17194
                                      aromatic ketone 12459
                                        4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone 1
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