[5-(7-hydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid (CHEBI:193481)

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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	[5-(7-hydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid

ChEBI ID	CHEBI:193481

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H12O8S

Net Charge

Average Mass

364.320

Monoisotopic Mass

364.02529

InChI

InChI=1S/C16H12O8S/c1-22-13-5-2-9(6-16(13)24-25(19,20)21)14-8-12(18)11-4-3-10(17)7-15(11)23-14/h2-8,17H,1H3,(H,19,20,21)

InChIKey

OFLHCEWKWSRIIV-UHFFFAOYSA-N

SMILES

S(OC=1C=C(C=2OC3=C(C(=O)C2)C=CC(O)=C3)C=CC1OC)(O)(=O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	[5-(7-hydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid (CHEBI:193481) is a ether (CHEBI:25698) [5-(7-hydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid (CHEBI:193481) is a flavonoids (CHEBI:72544)

IUPAC Name

[5-(7-hydroxy-4-oxochromen-2-yl)-2-methoxyphenyl] hydrogen sulate