CHEBI:182286 - 1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol

ChEBI IDCHEBI:182286
ChEBI Name1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O9
Net Charge0
Average Mass416.382
Monoisotopic Mass416.11073
SMILESO=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(O)C3O)c(O)ccc12
InChIInChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2
InChIKeyHKEAFJYKMMKDOR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol (CHEBI:182286) is a C-glycosyl compound (CHEBI:20857)
1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol (CHEBI:182286) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Manual XrefsDatabases
LSM-45723LINCS
4532292ChemSpider