{4-[(1E)-3-oxobut-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:193845)

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CHEBI:193845 - {4-[(1E)-3-oxobut-1-en-1-yl]phenyl}oxidanesulfonic acid

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ChEBI ID	CHEBI:193845
ChEBI Name	{4-[(1E)-3-oxobut-1-en-1-yl]phenyl}oxidanesulfonic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H10O5S
Net Charge	0
Average Mass	242.252
Monoisotopic Mass	242.02489
SMILES	CC(=O)/C=C/c1ccc(OS(=O)(=O)O)cc1
InChI	InChI=1S/C10H10O5S/c1-8(11)2-3-9-4-6-10(7-5-9)15-16(12,13)14/h2-7H,1H3,(H,12,13,14)/b3-2+
InChIKey	RBTXVWDXJJLSAD-NSCUHMNNSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	{4-[(1E)-3-oxobut-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:193845) is a aryl sulfate (CHEBI:37919)

IUPAC Name
[4-[(E)-3-oxobut-1-enyl]phenyl] hydrogen sulate

Manual Xrefs	Databases
74853433	ChemSpider