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CHEBI:139456 - (1ξ)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-D-galactitol

ChEBI IDCHEBI:139456
ChEBI Name(1ξ)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-D-galactitol
Stars
ASCII Name(1xi)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-D-galactitol
Last Modified16 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1cc(-c2ccc(O)c(O)c2)oc2c(C3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12
InChIInChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17+,18+,19-,21?/m1/s1
InChIKeyPLAPMLGJVGLZOV-RKNSFIPESA-N
ChEBI Ontology
Outgoing Relation(s)
(1ξ)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-D-galactitol (CHEBI:139456) is a C-glycosyl compound (CHEBI:20857)
(1ξ)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-D-galactitol (CHEBI:139456) is a flavonoids (CHEBI:72544)
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