EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:133460 - guaiacol sulfate

ChEBI IDCHEBI:133460
ChEBI Nameguaiacol sulfate
Stars
DefinitionAn aryl sulfate that is catechol in which the two phenolic hydrogens are replaced by methyl and sulfo groups.
Last Modified28 September 2016
SubmitterSteve
DownloadsMolfile
FormulaC7H8O5S
Net Charge0
Average Mass204.203
Monoisotopic Mass204.00924
SMILESCOc1ccccc1OS(=O)(=O)O
InChIInChI=1S/C7H8O5S/c1-11-6-4-2-3-5-7(6)12-13(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKeyAQTYXAPIHMXAAV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
guaiacol sulfate (CHEBI:133460) has functional parent catechol (CHEBI:18135)
guaiacol sulfate (CHEBI:133460) is a aryl sulfate (CHEBI:37919)
guaiacol sulfate (CHEBI:133460) is a monomethoxybenzene (CHEBI:25235)
guaiacol sulfate (CHEBI:133460) is conjugate acid of guaiacol sulfate(1−) (CHEBI:133463)
Incoming Relation(s)
guaiacol sulfate(1−) (CHEBI:133463) is conjugate base of guaiacol sulfate (CHEBI:133460)
IUPAC Name 
2-methoxyphenyl hydrogen sulfate
Synonyms  Source
O-methylcatechol sulfateChEBI
O-methylcatechol hydrogen sulfateChEBI
o-methoxyphenyl hydrogen sulfateChEBI
o-Methoxyphenyl sulfateChemIDplus
2-Methoxyphenyl sulfateChemIDplus
Manual XrefsDatabases
HMDB0060013HMDB
Registry NumbersSources
Reaxys:2455916Reaxys
CAS:3233-59-8ChemIDplus
Citations