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CHEBI:169711 - {4-[(1E)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid

ChEBI IDCHEBI:169711
ChEBI Name{4-[(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/c1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C9H8O5S/c10-7-1-2-8-3-5-9(6-4-8)14-15(11,12)13/h1-7H,(H,11,12,13)/b2-1+
InChIKeyHMTMVRYLYCEPCW-OWOJBTEDSA-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)
{4-[(1E)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:169711) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[4-[(E)-3-oxoprop-1-enyl]phenyl] hydrogen sulate
Manual XrefsDatabases
74853781ChemSpider
HMDB0135289HMDB