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CHEBI:176442 - 4-Methylcatechol 1-O-sulfate

ChEBI IDCHEBI:176442
ChEBI Name4-Methylcatechol 1-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H8O5S
Net Charge0
Average Mass204.203
Monoisotopic Mass204.00924
SMILESCc1ccc(OS(=O)(=O)O)c(O)c1
InChIInChI=1S/C7H8O5S/c1-5-2-3-7(6(8)4-5)12-13(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChIKeyNCOMUGOPQPRVSE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
4-Methylcatechol 1-O-sulfate (CHEBI:176442) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
(2-hydroxy-4-methylphenyl) hydrogen sulate
Manual XrefsDatabases
59696770ChemSpider