RefMet Compound Details

RefMet IDRM0157558
MW structure55161 (View MW Metabolite Database details)
RefMet nametrans-Anethole
Systematic name1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene
SMILESC/C=C/c1ccc(cc1)OC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass148.088815 (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
FormulaC10H12OView other entries in RefMet with this formula
InChIInChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
InChIKeyRUVINXPYWBROJD-ONEGZZNKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassPhenylpropanoids
Sub ClassCinnamic acids
Pubchem CID637563
ChEBI ID35616
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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