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CHEBI:185279 - {[1-(7-hydroxy-2-oxo-2H-chromen-8-yl)-3-methylbut-3-en-2-yl]oxy}sulfonic acid

Default Structure
ChEBI IDCHEBI:185279
ChEBI Name{[1-(7-hydroxy-2-oxo-2H-chromen-8-yl)-3-methylbut-3-en-2-yl]oxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O7S
Net Charge0
Average Mass326.326
Monoisotopic Mass326.04602
SMILESC=C(C)C(Cc1c(O)ccc2ccc(=O)oc12)OS(=O)(=O)O
InChIInChI=1S/C14H14O7S/c1-8(2)12(21-22(17,18)19)7-10-11(15)5-3-9-4-6-13(16)20-14(9)10/h3-6,12,15H,1,7H2,2H3,(H,17,18,19)
InChIKeyXQLHCDLBTZLLFN-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)
{[1-(7-hydroxy-2-oxo-2H-chromen-8-yl)-3-methylbut-3-en-2-yl]oxy}sulfonic acid (CHEBI:185279) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
[1-(7-hydroxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] hydrogen sulate
Manual XrefsDatabases
74852994ChemSpider
HMDB0132710HMDB