EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166451 - 3,4-Dihydroxyphenylacetate sulfate

ChEBI IDCHEBI:166451
ChEBI Name3,4-Dihydroxyphenylacetate sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8O7S
Net Charge0
Average Mass248.212
Monoisotopic Mass247.99907
SMILESO=C(O)Cc1ccc(OS(=O)(=O)O)c(O)c1
InChIInChI=1S/C8H8O7S/c9-6-3-5(4-8(10)11)1-2-7(6)15-16(12,13)14/h1-3,9H,4H2,(H,10,11)(H,12,13,14)
InChIKeyZQTJTTSZJNFQGJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4-Dihydroxyphenylacetate sulfate (CHEBI:166451) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
2-(3-hydroxy-4-sulooxyphenyl)acetic acid
Manual XrefsDatabases
167724ChemSpider
Registry NumbersSources
CAS:38339-04-7ChemIDplus