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CHEBI:180703 - [2-hydroxy-1-(1-oxo-1H-isochromen-3-yl)butoxy]sulfonic acid

ChEBI IDCHEBI:180703
ChEBI Name[2-hydroxy-1-(1-oxo-1H-isochromen-3-yl)butoxy]sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O7S
Net Charge0
Average Mass314.315
Monoisotopic Mass314.04602
SMILESCCC(O)C(OS(=O)(=O)O)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C13H14O7S/c1-2-10(14)12(20-21(16,17)18)11-7-8-5-3-4-6-9(8)13(15)19-11/h3-7,10,12,14H,2H2,1H3,(H,16,17,18)
InChIKeyHQAVDPSDESVVEZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
[2-hydroxy-1-(1-oxo-1H-isochromen-3-yl)butoxy]sulfonic acid (CHEBI:180703) is a isocoumarins (CHEBI:38758)
IUPAC Name 
[2-hydroxy-1-(1-oxoisochromen-3-yl)butyl] hydrogen sulate
Manual XrefsDatabases
74852729ChemSpider
HMDB0130068HMDB