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CHEBI:176479 - 2-[3-(sulfooxy)phenyl]acetic acid

ChEBI IDCHEBI:176479
ChEBI Name2-[3-(sulfooxy)phenyl]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8O6S
Net Charge0
Average Mass232.213
Monoisotopic Mass232.00416
SMILESO=C(O)Cc1cccc(OS(=O)(=O)O)c1
InChIInChI=1S/C8H8O6S/c9-8(10)5-6-2-1-3-7(4-6)14-15(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13)
InChIKeyVBCLPDSIELLWDI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
2-[3-(sulfooxy)phenyl]acetic acid (CHEBI:176479) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
2-(3-sulooxyphenyl)acetic acid
Manual XrefsDatabases
74851661ChemSpider
HMDB0125163HMDB