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CHEBI:193375 - {[4-(4-hydroxy-3-methoxyphenyl)butan-2-yl]oxy}sulfonic acid

ChEBI IDCHEBI:193375
ChEBI Name{[4-(4-hydroxy-3-methoxyphenyl)butan-2-yl]oxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O6S
Net Charge0
Average Mass276.310
Monoisotopic Mass276.06676
SMILESCOc1cc(CCC(C)OS(=O)(=O)O)ccc1O
InChIInChI=1S/C11H16O6S/c1-8(17-18(13,14)15)3-4-9-5-6-10(12)11(7-9)16-2/h5-8,12H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyYFEJBBGQDRDFLT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
{[4-(4-hydroxy-3-methoxyphenyl)butan-2-yl]oxy}sulfonic acid (CHEBI:193375) is a methoxybenzenes (CHEBI:51683)
{[4-(4-hydroxy-3-methoxyphenyl)butan-2-yl]oxy}sulfonic acid (CHEBI:193375) is a phenols (CHEBI:33853)
IUPAC Name 
4-(4-hydroxy-3-methoxyphenyl)butan-2-yl hydrogen sulate
Manual XrefsDatabases
74853930ChemSpider