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CHEBI:172318 - Vanillin 4-sulfate

ChEBI IDCHEBI:172318
ChEBI NameVanillin 4-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8O6S
Net Charge0
Average Mass232.213
Monoisotopic Mass232.00416
SMILESCOc1cc(C=O)ccc1OS(=O)(=O)O
InChIInChI=1S/C8H8O6S/c1-13-8-4-6(5-9)2-3-7(8)14-15(10,11)12/h2-5H,1H3,(H,10,11,12)
InChIKeyOUIKMDRGUNIXSP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Vanillin 4-sulfate (CHEBI:172318) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
(4-ormyl-2-methoxyphenyl) hydrogen sulate
Manual XrefsDatabases
10798458ChemSpider
HMDB0041789HMDB