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CHEBI:55450 - 6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonate

ChEBI IDCHEBI:55450
ChEBI Name6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonate
Stars
ASCII Name6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonate
DefinitionThe conjugate base of 6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonic acid.
Last Modified1 February 2010
Submitterzjosephs
DownloadsMolfile
FormulaC21H19O11
Net Charge-1
Average Mass447.372
Monoisotopic Mass447.09329
SMILESO=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COc1ccc2occ(-c3ccccc3O)c(=O)c2c1O
InChIInChI=1S/C21H20O11/c22-11-4-2-1-3-9(11)10-7-31-13-5-6-14(18(26)15(13)16(10)24)32-8-12(23)17(25)19(27)20(28)21(29)30/h1-7,12,17,19-20,22-23,25-28H,8H2,(H,29,30)/p-1/t12-,17+,19-,20-/m0/s1
InChIKeyUEEJTESQJBYIKX-MJBIGMRFSA-M
ChEBI Ontology
Outgoing Relation(s)
6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonate (CHEBI:55450) is a gulonates (CHEBI:33864)
6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonate (CHEBI:55450) is conjugate base of 6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonic acid (CHEBI:55449)
Incoming Relation(s)
6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonic acid (CHEBI:55449) is conjugate acid of 6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonate (CHEBI:55450)
IUPAC Name 
(2S,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-{[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}hexanoate
Synonyms  Source
aryl sufatase-treated PjCHO (anion)ChEBI
aryl sufatase-treated PjCHOChEBI
Citations