{2-hydroxy-5-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenyl}oxidanesulfonic acid (CHEBI:180805)

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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-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenyl}oxidanesulfonic acid

ChEBI ID	CHEBI:180805

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H16O9S

Net Charge

Average Mass

372.340

Monoisotopic Mass

372.05150

InChI

InChI=1S/C15H16O9S/c16-9(5-11-13(19)6-10(17)7-14(11)20)3-8-1-2-12(18)15(4-8)24-25(21,22)23/h1-2,4,6-7,9,16-20H,3,5H2,(H,21,22,23)

InChIKey

OAKZQSRUXYQCBG-UHFFFAOYSA-N

SMILES

S(OC=1C=C(CC(O)CC2=C(O)C=C(O)C=C2O)C=CC1O)(O)(=O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133).

ChEBI Ontology
Outgoing	{2-hydroxy-5-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenyl}oxidanesulfonic acid (CHEBI:180805) is a phenols (CHEBI:33853)

IUPAC Name

[2-hydroxy-5-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen sulate