Metabolomics Structure Database

 
MW REGNO: 45618
Common Name:Ethylparaben
Systematic Name:ethyl 4-hydroxybenzoate
RefMet Name:Ethylparaben
Synonyms: [PubChem Synonyms]
Exact Mass:
166.0630 (neutral)    Calculate m/z:
Formula:C9H10O3
InChIKey:NUVBSKCKDOMJSU-UHFFFAOYSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Phenolic acids
LIPID MAPS subclass:Phenolic acids
Massbank MS spectra:View MS spectra
SMILES:CCOC(=O)c1ccc(O)cc1
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:8434
CHEBI ID:31575
HMDB ID:HMDB0032573
Chemspider ID:13846749
BMRB ID:bmse010255
EPA CompTox DB:DTXCID002528
Plant Metabolite Hub(Pmhub):MS000002281

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

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