RefMet Compound Details

MW structure38086 (View MW Metabolite Database details)
RefMet nameCapsaicin
Systematic name(6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
SMILESCOc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass305.199094 (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
FormulaC18H27NO3View other entries in RefMet with this formula
InChIKeyYKPUWZUDDOIDPM-SOFGYWHQSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassPhenols
Sub ClassMethoxyphenols
Pubchem CID1548943
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)