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CHEBI:185048 - {2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid

ChEBI IDCHEBI:185048
ChEBI Name{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O7S
Net Charge0
Average Mass302.304
Monoisotopic Mass302.04602
SMILESCOc1cc(CC2CCC(=O)O2)ccc1OS(=O)(=O)O
InChIInChI=1S/C12H14O7S/c1-17-11-7-8(6-9-3-5-12(13)18-9)2-4-10(11)19-20(14,15)16/h2,4,7,9H,3,5-6H2,1H3,(H,14,15,16)
InChIKeyFYRRHCSCZYSADR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid (CHEBI:185048) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl] hydrogen sulate
Manual XrefsDatabases
74852008ChemSpider
HMDB0127769HMDB