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CHEBI:176487 - Methylgallic O-sulfate

ChEBI IDCHEBI:176487
ChEBI NameMethylgallic O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8O8S
Net Charge0
Average Mass264.211
Monoisotopic Mass263.99399
SMILESCOc1c(O)cc(C(=O)O)cc1OS(=O)(=O)O
InChIInChI=1S/C8H8O8S/c1-15-7-5(9)2-4(8(10)11)3-6(7)16-17(12,13)14/h2-3,9H,1H3,(H,10,11)(H,12,13,14)
InChIKeyLMJIEJLSDJBABY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Methylgallic O-sulfate (CHEBI:176487) is a trihydroxybenzoic acid (CHEBI:27115)
IUPAC Name 
3-hydroxy-4-methoxy-5-sulooxybenzoic acid
Manual XrefsDatabases
9000783ChemSpider