RefMet Compound Details

MW structure53038 (View MW Metabolite Database details)
RefMet nameCarbaryl
Systematic namenaphthalen-1-yl methylcarbamate
SMILESCNC(=O)Oc1cccc2ccccc12   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass201.078979 (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
FormulaC12H11NO2View other entries in RefMet with this formula
InChIInChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
InChIKeyCVXBEEMKQHEXEN-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassNaphthalenes
Sub ClassNaphthalenes
Pubchem CID6129
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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