Metabolomics Structure Database

 
MW REGNO: 43965
Common Name:2',4'-Dihydroxyacetophenone
Systematic Name:1-(2,4-dihydroxyphenyl)ethan-1-one
RefMet Name:2',4'-Dihydroxyacetophenone
Synonyms: [PubChem Synonyms]
Exact Mass:
152.0473 (neutral)    Calculate m/z:
Formula:C8H8O3
InChIKey:SULYEHHGGXARJS-UHFFFAOYSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbonyl compounds [C0001831]
ClassyFire direct parent:Alkyl-phenylketones [C0004298]
MoNA MS spectra:View MS spectra
SMILES:CC(=O)c1ccc(cc1O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:6990
CHEBI ID:18414
HMDB ID:HMDB0029659
KEGG ID:C03663
Chemspider ID:6724
Plant Metabolite Hub(Pmhub):MS000010423

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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