{[(3E)-2-oxo-4-phenylbut-3-en-1-yl]oxy}sulfonic acid (CHEBI:193843)

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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	{[(3E)-2-oxo-4-phenylbut-3-en-1-yl]oxy}sulfonic acid

ChEBI ID	CHEBI:193843

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H10O5S

Net Charge

Average Mass

242.250

Monoisotopic Mass

242.02489

InChI

InChI=1S/C10H10O5S/c11-10(8-15-16(12,13)14)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)/b7-6+

InChIKey

LXWJHOYGIMTUHC-VOTSOKGWSA-N

SMILES

S(OCC(=O)\C=C\C1=CC=CC=C1)(O)(=O)=O

Metabolite of Species	Details
mock community culture	Found in Whole Organism (NCIT:C13413). See: MetaboLights Study

ChEBI Ontology
Outgoing	{[(3E)-2-oxo-4-phenylbut-3-en-1-yl]oxy}sulfonic acid (CHEBI:193843) is a styrenes (CHEBI:26799)

IUPAC Name

[(E)-2-oxo-4-phenylbut-3-enyl] hydrogen sulate