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CHEBI:193853 - {2-methoxy-5-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid

ChEBI IDCHEBI:193853
ChEBI Name{2-methoxy-5-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O7S
Net Charge0
Average Mass302.304
Monoisotopic Mass302.04602
SMILESCOc1ccc(CC2CCC(=O)O2)cc1OS(=O)(=O)O
InChIInChI=1S/C12H14O7S/c1-17-10-4-2-8(6-9-3-5-12(13)18-9)7-11(10)19-20(14,15)16/h2,4,7,9H,3,5-6H2,1H3,(H,14,15,16)
InChIKeyUUTUSNHPOCKXMX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
{2-methoxy-5-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid (CHEBI:193853) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[2-methoxy-5-[(5-oxooxolan-2-yl)methyl]phenyl] hydrogen sulate
Manual XrefsDatabases
74852037ChemSpider