EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176477 - 2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid

ChEBI IDCHEBI:176477
ChEBI Name2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8O7S
Net Charge0
Average Mass248.212
Monoisotopic Mass247.99907
SMILESO=C(O)Cc1ccc(O)c(OS(=O)(=O)O)c1
InChIInChI=1S/C8H8O7S/c9-6-2-1-5(4-8(10)11)3-7(6)15-16(12,13)14/h1-3,9H,4H2,(H,10,11)(H,12,13,14)
InChIKeyKAIXMDKRVHGWDK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid (CHEBI:176477) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
2-(4-hydroxy-3-sulooxyphenyl)acetic acid
Manual XrefsDatabases
74851658ChemSpider
HMDB0125151HMDB