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CHEBI:139455 - 1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]hexitol

ChEBI IDCHEBI:139455
ChEBI Name1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]hexitol
Stars
ASCII Name1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]hexitol
Last Modified16 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
InChIInChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2
InChIKeyODBRNZZJSYPIDI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]hexitol (CHEBI:139455) is a C-glycosyl compound (CHEBI:20857)
1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]hexitol (CHEBI:139455) is a flavonoids (CHEBI:72544)
Manual XrefsDatabases
4932280ChemSpider
HMDB0127356HMDB