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CHEBI:55447 - 6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonate

ChEBI IDCHEBI:55447
ChEBI Name6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonate
Stars
ASCII Name6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonate
DefinitionThe conjugate base of 6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid.
Last Modified1 February 2010
Submitterzjosephs
DownloadsMolfile
FormulaC21H19O14S
Net Charge-1
Average Mass527.436
Monoisotopic Mass527.05010
SMILESO=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COc1ccc2occ(-c3ccccc3OS(=O)(=O)O)c(=O)c2c1O
InChIInChI=1S/C21H20O14S/c22-11(17(24)19(26)20(27)21(28)29)8-34-14-6-5-13-15(18(14)25)16(23)10(7-33-13)9-3-1-2-4-12(9)35-36(30,31)32/h1-7,11,17,19-20,22,24-27H,8H2,(H,28,29)(H,30,31,32)/p-1/t11-,17+,19-,20-/m0/s1
InChIKeyADXDKVCSBABQQD-BHJHUSPKSA-M
ChEBI Ontology
Outgoing Relation(s)
6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonate (CHEBI:55447) is a gulonates (CHEBI:33864)
6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonate (CHEBI:55447) is conjugate base of 6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid (CHEBI:55446)
Incoming Relation(s)
6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid (CHEBI:55446) is conjugate acid of 6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonate (CHEBI:55447)
IUPAC Name 
6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonate
Synonyms  Source
PjCHO anionChEBI
PjCHOChEBI
Citations