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CHEBI:193488 - ({1-[5-hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-4-yl]propan-2-yl}oxy)sulfonic acid

ChEBI IDCHEBI:193488
ChEBI Name({1-[5-hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-4-yl]propan-2-yl}oxy)sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O9S
Net Charge0
Average Mass400.405
Monoisotopic Mass400.08280
SMILESCC(Cc1cc(=O)oc2c3c(cc(O)c12)OC(C(C)(C)O)C3)OS(=O)(=O)O
InChIInChI=1S/C17H20O9S/c1-8(26-27(21,22)23)4-9-5-14(19)25-16-10-6-13(17(2,3)20)24-12(10)7-11(18)15(9)16/h5,7-8,13,18,20H,4,6H2,1-3H3,(H,21,22,23)
InChIKeyPGWOBMDSSLMHLR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
({1-[5-hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-4-yl]propan-2-yl}oxy)sulfonic acid (CHEBI:193488) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
1-[5-hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-4-yl]propan-2-yl hydrogen sulate
Manual XrefsDatabases
74852767ChemSpider