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CHEBI:88847 - Vanillic acid 4-sulfate

ChEBI IDCHEBI:88847
ChEBI NameVanillic acid 4-sulfate
Stars
DownloadsMolfile
FormulaC8H8O7S
Net Charge0
Average Mass248.212
Monoisotopic Mass247.99907
SMILESCOc1cc(C(=O)O)ccc1OS(=O)(=O)O
InChIInChI=1S/C8H8O7S/c1-14-7-4-5(8(9)10)2-3-6(7)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)
InChIKeyTXRKUXPAEPOCIX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Vanillic acid 4-sulfate (CHEBI:88847) is a benzoic acids (CHEBI:22723)
Synonym  Source
3-methoxy-4-(sulfooxy)benzoic acidHMDB
Manual XrefsDatabases
HMDB0041788HMDB
Citations