EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133550 - 2-methoxyresorcinol sulfate(1−)

ChEBI IDCHEBI:133550
ChEBI Name2-methoxyresorcinol sulfate(1−)
Stars
ASCII Name2-methoxyresorcinol sulfate(1-)
DefinitionA phenyl sulfate oxoanion that is the conjugate base of 2-methoxyresorcinol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified4 April 2018
SubmitterSteve
DownloadsMolfile
FormulaC7H7O6S
Net Charge-1
Average Mass219.194
Monoisotopic Mass218.99688
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)/p-1
InChIKeyARLAWMCEVZUXEY-UHFFFAOYSA-M
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(1−) (CHEBI:133550) has role human blood serum metabolite (CHEBI:85234)
2-methoxyresorcinol sulfate(1−) (CHEBI:133550) is a phenyl sulfate oxoanion (CHEBI:140317)
2-methoxyresorcinol sulfate(1−) (CHEBI:133550) is conjugate base of 2-methoxyresorcinol sulfate (CHEBI:133548)
Incoming Relation(s)
2-methoxyresorcinol sulfate (CHEBI:133548) is conjugate acid of 2-methoxyresorcinol sulfate(1−) (CHEBI:133550)
IUPAC Name 
3-hydroxy-2-methoxyphenyl sulfate
Synonyms  Source
2-methylpyrogallol sulfate(1−)ChEBI
2-methylpyrogallol 1-sulfate(1−)ChEBI
2-methoxyresorcinol monosulfate(1−)ChEBI