RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0013064
RefMet nameSyringic acid
Systematic name4-hydroxy-3,5-dimethoxybenzoic acid
SynonymsPubChem Synonyms
Exact mass198.052825 (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
FormulaC9H10O5View other entries in RefMet with this formula
Molecular descriptors
Molfile38012 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
InChIKeyJMSVCTWVEWCHDZ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOc1cc(cc(c1O)OC)C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassHydroxybenzoic acids
Distribution of Syringic 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 Syringic acid
External Links
Pubchem CID10742
ChEBI ID68329
KEGG IDC10833
HMDB IDHMDB0002085
Chemspider ID10289
EPA CompToxDTXCID2041337
PhytoHub DBPHUB000313
Spectral data for Syringic acid standards
BMRB ID(NMR)View NMR spectra
NP-MRD 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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