RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0161395
RefMet name6-Hydroxyindole sulfate
Systematic name1H-indol-6-yl hydrogen sulfate
SynonymsPubChem Synonyms
Exact mass213.009581 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H7NO4SView other entries in RefMet with this formula
Molecular descriptors
Molfile87090 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C8H7NO4S/c10-14(11,12)13-7-2-1-6-3-4-9-8(6)5-7/h1-5,9H,(H,10,11,12)
InChIKeyQRHHXPIYYXPEMG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(cc2c1cc[nH]2)OS(=O)(=O)O
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Chemical/Biochemical Classification
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassSimple indole alkaloids
Distribution of 6-Hydroxyindole 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 6-Hydroxyindole sulfate
External Links
Pubchem CID122198196
ChEBI ID133568
HMDB IDHMDB0240651
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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