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CHEBI:176488 - Protocatechiuc acid 4-O-sulfate

ChEBI IDCHEBI:176488
ChEBI NameProtocatechiuc acid 4-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H6O7S
Net Charge0
Average Mass234.185
Monoisotopic Mass233.98342
SMILESO=C(O)c1ccc(OS(=O)(=O)O)c(O)c1
InChIInChI=1S/C7H6O7S/c8-5-3-4(7(9)10)1-2-6(5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13)
InChIKeyNGQYUDIZIPNWJV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
Protocatechiuc acid 4-O-sulfate (CHEBI:176488) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
3-hydroxy-4-sulooxybenzoic acid
Manual XrefsDatabases
169832ChemSpider
Registry NumbersSources
CAS:76496-12-3ChemIDplus