RefMet Compound Details

MW structure37506 (View MW Metabolite Database details)
RefMet nametrans-Cinnamic acid
Systematic name(2E)-3-phenylprop-2-enoic acid
SMILESOC(=O)/C=C/c1ccccc1
Exact mass148.052430 (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
FormulaC9H8O2View other entries in RefMet with this formula
InChIInChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKeyWBYWAXJHAXSJNI-VOTSOKGWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassCinnamic acids
Sub ClassCinnamic acids
Pubchem CID444539
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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