RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0156345
RefMet name4-Vinylguaiacol sulfate
Systematic name(2-methoxy-4-vinyl-phenyl) sulfate
SynonymsPubChem Synonyms
Exact mass229.017072 (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
FormulaC9H9O5SView other entries in RefMet with this formula
Molecular descriptors
Molfile201176 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyFKCHAXAGQVCJPN-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC=Cc1ccc(c(c1)OC)OS(=O)(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassArylsulfates
Sub ClassPhenylsulfates
Distribution of 4-Vinylguaiacol sulfate in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 4-Vinylguaiacol sulfate
External Links
Pubchem CID122164839
ChEBI ID133544
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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