RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0002584
RefMet name2-Naphthyl sulfate
Systematic name2-naphthyl hydrogen sulfate
SynonymsPubChem Synonyms
Exact mass224.014332 (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
FormulaC10H8O4SView other entries in RefMet with this formula
Molecular descriptors
Molfile199705 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyHXEZIDSFDHEIIQ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1ccc2cc(ccc2c1)OS(=O)(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassNaphthalenes
Sub ClassNaphthalenes
Distribution of 2-Naphthyl sulfate 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 2-Naphthyl sulfate
External Links
Pubchem CID74428
ChEBI ID167215
HMDB IDHMDB0242152
Chemspider ID67020
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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