{2-hydroxy-5-[3-(2-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid (CHEBI:229891)

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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	{2-hydroxy-5-[3-(2-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid

ChEBI ID	CHEBI:229891

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

InChIKey

PTDHJOJJMFEZCG-UHFFFAOYSA-N

SMILES

S(OC=1C=C(C(=O)CCC=2C(O)=CC=CC2)C=CC1O)(O)(=O)=O

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

ChEBI Ontology
Outgoing	{2-hydroxy-5-[3-(2-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid (CHEBI:229891) is a dihydrochalcones (CHEBI:71230)

IUPAC Name

[2-hydroxy-5-[3-(2-hydroxyphenyl)propanoyl]phenyl] hydrogen sulate