[2-hydroxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:193492)

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

ChEBI ID	CHEBI:193492

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H14O9S

Net Charge

Average Mass

370.330

Monoisotopic Mass

370.03585

InChI

InChI=1S/C15H14O9S/c16-8-4-11(18)9-6-12(19)15(23-13(9)5-8)7-1-2-10(17)14(3-7)24-25(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)

InChIKey

VBSMBNMUYITMLB-UHFFFAOYSA-N

SMILES

S(OC=1C=C(C2OC=3C(CC2O)=C(O)C=C(O)C3)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-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:193492) is a catechin (CHEBI:23053)

IUPAC Name

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