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CHEBI:55448 - 2-[1-({5-hydroxy-4-oxo-3-[2-(sulfonatooxy)phenyl]-4H-chromen-6-yl}oxy)-2-oxoethoxy]-3-oxopropanoate

ChEBI IDCHEBI:55448
ChEBI Name2-[1-({5-hydroxy-4-oxo-3-[2-(sulfonatooxy)phenyl]-4H-chromen-6-yl}oxy)-2-oxoethoxy]-3-oxopropanoate
Stars
ASCII Name2-[1-({5-hydroxy-4-oxo-3-[2-(sulfonatooxy)phenyl]-4H-chromen-6-yl}oxy)-2-oxoethoxy]-3-oxopropanoate
DefinitionA compound comprising a 2-(5-hydroxy-4-oxo-4H-chromen-3-yl)phenyl sulfate core with a 9-1-(1-carboxy-2-oxoethoxy)-2-oxoethanolate substituent; a product of 6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid oxidation.
Last Modified1 February 2010
Submitterzjosephs
DownloadsMolfile
FormulaC20H12O13S
Net Charge-2
Average Mass492.370
Monoisotopic Mass492.00096
SMILESO=CC(Oc1ccc2occ(-c3ccccc3OS(=O)(=O)[O-])c(=O)c2c1O)OC(C=O)C(=O)[O-]
InChIInChI=1S/C20H14O13S/c21-7-15(20(25)26)32-16(8-22)31-14-6-5-13-17(19(14)24)18(23)11(9-30-13)10-3-1-2-4-12(10)33-34(27,28)29/h1-9,15-16,24H,(H,25,26)(H,27,28,29)/p-2
InChIKeyCHOWFGWAUBWXGR-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
2-[1-({5-hydroxy-4-oxo-3-[2-(sulfonatooxy)phenyl]-4H-chromen-6-yl}oxy)-2-oxoethoxy]-3-oxopropanoate (CHEBI:55448) is a monocarboxylic acid anion (CHEBI:35757)
IUPAC Name 
2-[1-({5-hydroxy-4-oxo-3-[2-(sulfonatooxy)phenyl]-4H-chromen-6-yl}oxy)-2-oxoethoxy]-3-oxopropanoate
Synonyms  Source
NaIO4-treated PjCHOChEBI
sodium periodate-treated PjCHOChEBI
Citations