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CHEBI:3688 - chrysophanol 8-O-β-D-glucoside

ChEBI IDCHEBI:3688
ChEBI Namechrysophanol 8-O-β-D-glucoside
Stars
ASCII Namechrysophanol 8-O-beta-D-glucoside
DefinitionA β-D-glucoside in which the aglycone species is chrysophanol, the glycosidic linkage being to the hydroxy group at C-8.
Last Modified14 June 2016
DownloadsMolfile
FormulaC21H20O9
Net Charge0
Average Mass416.382
Monoisotopic Mass416.11073
SMILESCc1cc(O)c2c(c1)C(=O)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
InChIInChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1
InChIKeyWMMOMSNMMDMSRB-JNHRPPPUSA-N
ChEBI Ontology
Outgoing Relation(s)
chrysophanol 8-O-β-D-glucoside (CHEBI:3688) has functional parent chrysophanol (CHEBI:3687)
chrysophanol 8-O-β-D-glucoside (CHEBI:3688) is a monohydroxyanthraquinone (CHEBI:37483)
chrysophanol 8-O-β-D-glucoside (CHEBI:3688) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
8-(β-D-glucopyranosyloxy)-1-hydroxy-3-methyl-9,10-anthraquinone
Synonyms  Source
Chrysophanol 8-O-beta-D-glucosideKEGG COMPOUND
Chrysophanol 8-glucosideKEGG COMPOUND
8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl β-D-glucopyranosideIUPAC
Manual XrefsDatabases
C10316KEGG COMPOUND
LMPK13040007LIPID MAPS
C00002807KNApSAcK
Registry NumbersSources
Beilstein:59734Beilstein
CAS:13241-28-6KEGG COMPOUND