Metabolomics Structure Database

 
MW REGNO: 54341
Common Name:4-hydroxyphenyl acetate
Systematic Name:4-hydroxyphenyl acetate
RefMet Name:4-Hydroxyphenyl acetate
Synonyms:1,4-Benzenediol, monoacetate; 4-Hydroxyphenyl acetate; 4-Hydroxyphenylacetate; 4-hydroxyphenyl acetate; hydroquinone monoacetate [PubChem Synonyms]
Exact Mass:
152.0473 (neutral)    Calculate m/z:
Formula:C8H8O3
InChIKey:HBMCQTHGYMTCOF-UHFFFAOYSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Phenolic acids
LIPID MAPS subclass:Phenolic acids
SMILES:CC(=O)Oc1ccc(O)cc1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:96009
CHEBI ID:31128
HMDB ID:HMDB0060390
Plant Metabolite Hub(Pmhub):MS000012880

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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