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CHEBI:193841 - {3-[(1Z)-2-methyl-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid

ChEBI IDCHEBI:193841
ChEBI Name{3-[(1Z)-2-methyl-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O5S
Net Charge0
Average Mass242.252
Monoisotopic Mass242.02489
SMILESC/C(C=O)=C/c1cccc(OS(=O)(=O)O)c1
InChIInChI=1S/C10H10O5S/c1-8(7-11)5-9-3-2-4-10(6-9)15-16(12,13)14/h2-7H,1H3,(H,12,13,14)/b8-5-
InChIKeyQAVGKVUDWRGDFZ-YVMONPNESA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
{3-[(1Z)-2-methyl-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:193841) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[3-[(Z)-2-methyl-3-oxoprop-1-enyl]phenyl] hydrogen sulate
Manual XrefsDatabases
74853394ChemSpider