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CHEBI:168814 - (4-ethyl-2-hydroxy-6-methoxyphenyl)oxidanesulfonic acid

ChEBI IDCHEBI:168814
ChEBI Name(4-ethyl-2-hydroxy-6-methoxyphenyl)oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O6S
Net Charge0
Average Mass248.256
Monoisotopic Mass248.03546
SMILESCCc1cc(O)c(OS(=O)(=O)O)c(OC)c1
InChIInChI=1S/C9H12O6S/c1-3-6-4-7(10)9(8(5-6)14-2)15-16(11,12)13/h4-5,10H,3H2,1-2H3,(H,11,12,13)
InChIKeySJFRKGTUKUNZBL-UHFFFAOYSA-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-ethyl-2-hydroxy-6-methoxyphenyl)oxidanesulfonic acid (CHEBI:168814) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
(4-ethyl-2-hydroxy-6-methoxyphenyl) hydrogen sulate
Manual XrefsDatabases
HMDB0128019HMDB
74852093ChemSpider