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CHEBI:172448 - 5-Sulfoxymethylfurfural

ChEBI IDCHEBI:172448
ChEBI Name5-Sulfoxymethylfurfural
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H6O6S
Net Charge0
Average Mass206.175
Monoisotopic Mass205.98851
SMILESO=Cc1ccc(COS(=O)(=O)O)o1
InChIInChI=1S/C6H6O6S/c7-3-5-1-2-6(12-5)4-11-13(8,9)10/h1-3H,4H2,(H,8,9,10)
InChIKeyWVMJEBICTINBRO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
5-Sulfoxymethylfurfural (CHEBI:172448) is a arenecarbaldehyde (CHEBI:33855)
IUPAC Name 
(5-ormyluran-2-yl)methyl hydrogen sulate
Manual XrefsDatabases
136301ChemSpider
HMDB0059752HMDB
Registry NumbersSources
CAS:159091-35-7ChemIDplus