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CHEBI:133548 - 2-methoxyresorcinol sulfate

ChEBI IDCHEBI:133548
ChEBI Name2-methoxyresorcinol sulfate
Stars
DefinitionAn aryl sulfate that is pyrogallol in which the phenolic hydrogens at positions 1 and 2 are replaced by sulfo and methyl groups respectively.
Last Modified12 April 2017
SubmitterSteve
DownloadsMolfile
FormulaC7H8O6S
Net Charge0
Average Mass220.202
Monoisotopic Mass220.00416
SMILESCOc1c(O)cccc1OS(=O)(=O)O
InChIInChI=1S/C7H8O6S/c1-12-7-5(8)3-2-4-6(7)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChIKeyARLAWMCEVZUXEY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (7214714)
Roles Classification
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
2-methoxyresorcinol sulfate (CHEBI:133548) has functional parent pyrogallol (CHEBI:16164)
2-methoxyresorcinol sulfate (CHEBI:133548) has role human blood serum metabolite (CHEBI:85234)
2-methoxyresorcinol sulfate (CHEBI:133548) is a aryl sulfate (CHEBI:37919)
2-methoxyresorcinol sulfate (CHEBI:133548) is a guaiacols (CHEBI:134251)
2-methoxyresorcinol sulfate (CHEBI:133548) is conjugate acid of 2-methoxyresorcinol sulfate(1−) (CHEBI:133550)
Incoming Relation(s)
2-methoxyresorcinol sulfate(1−) (CHEBI:133550) is conjugate base of 2-methoxyresorcinol sulfate (CHEBI:133548)
IUPAC Name 
3-hydroxy-2-methoxyphenyl hydrogen sulfate
Synonyms  Source
2-methoxyresorcinol monosulfateChEBI
2-methylpyrogallol 1-O-sulfateChEBI
2-methylpyrogallol 1-sulfateChEBI
2-methylpyrogallol sulfateChEBI
2-methylpyrogallol monosulfateChEBI
Registry NumbersSources
Reaxys:29484375Reaxys
Citations