RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0023065
RefMet nameSinapic acid
Systematic name(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
SynonymsPubChem Synonyms
Exact mass224.068475 (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
FormulaC11H12O5View other entries in RefMet with this formula
Molecular descriptors
Molfile45655 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
InChIKeyPCMORTLOPMLEFB-ONEGZZNKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOc1cc(/C=C/C(=O)O)cc(c1O)OC
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassPhenylpropanoids
Sub ClassCinnamic acids
Distribution of Sinapic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Sinapic acid
External Links
Pubchem CID637775
ChEBI ID15714
KEGG IDC00482
HMDB IDHMDB0032616
Chemspider ID553361
PhytoHub DBPHUB000638
Spectral data for Sinapic acid standards
BMRB ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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