Metabolomics Structure Database

 
MW REGNO: 42966
Common Name:Dyclonine
Systematic Name:1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one
RefMet Name:Dyclonine
Synonyms: [PubChem Synonyms]
Exact Mass:
289.2042 (neutral)    Calculate m/z:
Formula:C18H27NO2
InChIKey:BZEWSEKUUPWQDQ-UHFFFAOYSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbonyl compounds [C0001831]
ClassyFire direct parent:Alkyl-phenylketones [C0004298]
SMILES:CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:3180
CHEBI ID:4724
HMDB ID:HMDB0014783
KEGG ID:C07881
Chemspider ID:3068
EPA CompTox DB:DTXCID6027840
Plant Metabolite Hub(Pmhub):MS000019692

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo