RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0016691
RefMet name4-Hydroxyphenyl acetate
Systematic name4-hydroxyphenyl acetate
SynonymsPubChem Synonyms
Exact mass152.047345 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H8O3View other entries in RefMet with this formula
Molecular descriptors
Molfile54341 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C8H8O3/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,10H,1H3
InChIKeyHBMCQTHGYMTCOF-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(=O)Oc1ccc(cc1)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassHydroxybenzoic acids
Distribution of 4-Hydroxyphenyl acetate in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting 4-Hydroxyphenyl acetate
External Links
Pubchem CID96009
ChEBI ID31128
KEGG IDC13636
HMDB IDHMDB0060390
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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