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CHEBI:176474 - 2-[4-(sulfooxy)phenyl]acetic acid

ChEBI IDCHEBI:176474
ChEBI Name2-[4-(sulfooxy)phenyl]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8O6S
Net Charge0
Average Mass232.213
Monoisotopic Mass232.00416
SMILESO=C(O)Cc1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C8H8O6S/c9-8(10)5-6-1-3-7(4-2-6)14-15(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13)
InChIKeyIIODELUADFSHIZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
2-[4-(sulfooxy)phenyl]acetic acid (CHEBI:176474) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
2-(4-sulooxyphenyl)acetic acid
Manual XrefsDatabases
HMDB0132500HMDB
74852973ChemSpider