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

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

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ChEBI ID	CHEBI:193843
ChEBI Name	{[(3E)-2-oxo-4-phenylbut-3-en-1-yl]oxy}sulfonic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H10O5S
Net Charge	0
Average Mass	242.252
Monoisotopic Mass	242.02489
SMILES	O=C(/C=C/c1ccccc1)COS(=O)(=O)O
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

Species of Metabolite	Component	Source	Comments
synthetic microbial community (ncbitaxon:3229850)	Whole Organism (NCIT:C13413)	MetaboLights (MTBLS3129)

ChEBI Ontology

Outgoing Relation(s)
	{[(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

Manual Xrefs	Databases
74853431	ChemSpider