RefMet Compound Details

MW structure38332 (View MW Metabolite Database details)
RefMet nameCinnamaldehyde
Systematic name(2E)-3-phenylprop-2-enal
SMILESO=C/C=C/c1ccccc1
Exact mass132.057515 (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
FormulaC9H8OView other entries in RefMet with this formula
InChIInChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChIKeyKJPRLNWUNMBNBZ-QPJJXVBHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassPhenylpropanoids
Sub ClassCinnamaldehydes
Pubchem CID637511
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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