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CHEBI:186252 - {[4-(7-methoxy-2-oxo-2H-chromen-6-yl)butan-2-yl]oxy}sulfonic acid

ChEBI IDCHEBI:186252
ChEBI Name{[4-(7-methoxy-2-oxo-2H-chromen-6-yl)butan-2-yl]oxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O7S
Net Charge0
Average Mass328.342
Monoisotopic Mass328.06167
SMILESCOc1cc2oc(=O)ccc2cc1CCC(C)OS(=O)(=O)O
InChIInChI=1S/C14H16O7S/c1-9(21-22(16,17)18)3-4-10-7-11-5-6-14(15)20-13(11)8-12(10)19-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyFPKYLMTUFQHSLV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
{[4-(7-methoxy-2-oxo-2H-chromen-6-yl)butan-2-yl]oxy}sulfonic acid (CHEBI:186252) is a coumarins (CHEBI:23403)
IUPAC Name 
4-(7-methoxy-2-oxochromen-6-yl)butan-2-yl hydrogen sulate
Manual XrefsDatabases
HMDB0128985HMDB
74852408ChemSpider