{4-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenyl}oxidanesulfonic acid (CHEBI:184698)

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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-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenyl}oxidanesulfonic acid

ChEBI ID	CHEBI:184698

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H14O7S

Net Charge

Average Mass

338.330

Monoisotopic Mass

338.04602

InChI

InChI=1S/C15H14O7S/c16-11-4-8-15(18)13(9-11)14(17)7-3-10-1-5-12(6-2-10)22-23(19,20)21/h1-2,4-6,8-9,16,18H,3,7H2,(H,19,20,21)

InChIKey

YZGWGKYYHWFRRB-UHFFFAOYSA-N

SMILES

S(OC1=CC=C(CCC(=O)C2=C(O)C=CC(O)=C2)C=C1)(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-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenyl}oxidanesulfonic acid (CHEBI:184698) is a chalcones (CHEBI:23086)

IUPAC Name

[4-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenyl] hydrogen sulate