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CHEBI:139454 - 1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol

ChEBI IDCHEBI:139454
ChEBI Name1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol
Stars
ASCII Name1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol
Last Modified16 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC21H20O10
Net Charge0
Average Mass432.381
Monoisotopic Mass432.10565
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
InChIInChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2
InChIKeyMYXNWGACZJSMBT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol (CHEBI:139454) is a C-glycosyl compound (CHEBI:20857)
1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol (CHEBI:139454) is a flavonoids (CHEBI:72544)
Manual XrefsDatabases
3673312ChemSpider
HMDB0127106HMDB