[3-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:193471)

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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	[3-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid

ChEBI ID	CHEBI:193471

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H14O8S

Net Charge

Average Mass

354.330

Monoisotopic Mass

354.04094

InChI

InChI=1S/C15H14O8S/c16-9-5-12(17)11-7-13(18)15(22-14(11)6-9)8-2-1-3-10(4-8)23-24(19,20)21/h1-6,13,15-18H,7H2,(H,19,20,21)

InChIKey

ULQVGUKXBWYPNT-UHFFFAOYSA-N

SMILES

S(OC=1C=C(C2OC=3C(CC2O)=C(O)C=C(O)C3)C=CC1)(O)(=O)=O

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

ChEBI Ontology
Outgoing	[3-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:193471) is a hydroxyflavan (CHEBI:72010)

IUPAC Name

[3-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate