RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0037063
RefMet name6-Chlorohydroxyquinol
Systematic name6-chlorobenzene-1,2,4-triol
SynonymsPubChem Synonyms
Exact mass159.992722 (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
FormulaC6H5ClO3View other entries in RefMet with this formula
Molecular descriptors
Molfile68749 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H5ClO3/c7-4-1-3(8)2-5(9)6(4)10/h1-2,8-10H
InChIKeyGVZRJQSQNLOFNR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1c(cc(c(c1Cl)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassPhenols
Sub ClassBenzenetriols
Distribution of 6-Chlorohydroxyquinol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 6-Chlorohydroxyquinol
External Links
Pubchem CID440980
ChEBI ID2177
KEGG IDC06328
MetaCyc ID6-CHQ
EPA CompToxDTXCID60282643
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo