RefMet Compound Details

MW structure38161 (View MW Metabolite Database details)
RefMet nameHydroquinone
Systematic namebenzene-1,4-diol
SMILESOc1ccc(O)cc1
Sum CompositionHydroquinone View other entries in RefMet with this sum composition
Exact mass110.036780 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H6O2View other entries in RefMet with this formula
InChIInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
InChIKeyQIGBRXMKCJKVMJ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassPhenols
Sub ClassHydroquinones
Pubchem CID785
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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