RefMet Compound Details

RefMet IDRM0028098
MW structure45618 (View MW Metabolite Database details)
RefMet nameEthylparaben
Systematic nameethyl 4-hydroxybenzoate
SMILESCCOC(=O)c1ccc(cc1)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass166.062995 (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
FormulaC9H10O3View other entries in RefMet with this formula
InChIInChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChIKeyNUVBSKCKDOMJSU-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassHydroxybenzoic acids
Pubchem CID8434
ChEBI ID31575
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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