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CHEBI:176448 - 1-Methyl-pyrogallol-3-O-sulphate

ChEBI IDCHEBI:176448
ChEBI Name1-Methyl-pyrogallol-3-O-sulphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H8O6S
Net Charge0
Average Mass220.202
Monoisotopic Mass220.00416
SMILESCOc1cccc(OS(=O)(=O)O)c1O
InChIInChI=1S/C7H8O6S/c1-12-5-3-2-4-6(7(5)8)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChIKeyNTXOJWKIHIOUQN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
1-Methyl-pyrogallol-3-O-sulphate (CHEBI:176448) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
(2-hydroxy-3-methoxyphenyl) hydrogen sulate
Manual XrefsDatabases
59696772ChemSpider