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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

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

ChEBI ID	CHEBI:186252

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H16O7S

Net Charge

Average Mass

328.340

Monoisotopic Mass

328.06167

InChI

InChI=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)

InChIKey

FPKYLMTUFQHSLV-UHFFFAOYSA-N

SMILES

S(OC(CCC1=C(OC)C=C2OC(=O)C=CC2=C1)C)(O)(=O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	{[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