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CHEBI:168907 - {3-[(1E)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid

ChEBI IDCHEBI:168907
ChEBI Name{3-[(1E)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8O5S
Net Charge0
Average Mass228.225
Monoisotopic Mass228.00924
SMILESO=C/C=C/c1cccc(OS(=O)(=O)O)c1
InChIInChI=1S/C9H8O5S/c10-6-2-4-8-3-1-5-9(7-8)14-15(11,12)13/h1-7H,(H,11,12,13)/b4-2+
InChIKeyVOTKGHVZQGEFBH-DUXPYHPUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
{3-[(1E)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:168907) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[3-[(E)-3-oxoprop-1-enyl]phenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0135292HMDB
74853782ChemSpider