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CHEBI:187122 - {10-hydroxy-8,8-dimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl}oxidanesulfonic acid

ChEBI IDCHEBI:187122
ChEBI Name{10-hydroxy-8,8-dimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O8S
Net Charge0
Average Mass342.325
Monoisotopic Mass342.04094
SMILESCC1(C)Oc2ccc3ccc(=O)oc3c2C(O)C1OS(=O)(=O)O
InChIInChI=1S/C14H14O8S/c1-14(2)13(22-23(17,18)19)11(16)10-8(21-14)5-3-7-4-6-9(15)20-12(7)10/h3-6,11,13,16H,1-2H3,(H,17,18,19)
InChIKeyTWHHTFYYUKWLNB-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)
{10-hydroxy-8,8-dimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl}oxidanesulfonic acid (CHEBI:187122) is a coumarins (CHEBI:23403)
IUPAC Name 
(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-]chromen-9-yl) hydrogen sulate
Manual XrefsDatabases
HMDB0138062HMDB
74854087ChemSpider