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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name chrysophanol 8-O-β-D-glucoside
ChEBI ID CHEBI:3688
ChEBI ASCII Name chrysophanol 8-O-beta-D-glucoside
Definition A β-D-glucoside in which the aglycone species is chrysophanol, the glycosidic linkage being to the hydroxy group at C-8.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H20O9
Net Charge 0
Average Mass 416.37810
Monoisotopic Mass 416.11073
InChI InChI=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
InChIKey WMMOMSNMMDMSRB-JNHRPPPUSA-N
SMILES Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc3C(=O)c2c1
ChEBI Ontology
Outgoing chrysophanol 8-O-β-D-glucoside (CHEBI:3688) has functional parent chrysophanol (CHEBI:3687)
chrysophanol 8-O-β-D-glucoside (CHEBI:3688) is a β-D-glucoside (CHEBI:22798)
chrysophanol 8-O-β-D-glucoside (CHEBI:3688) is a monohydroxyanthraquinone (CHEBI:37483)
IUPAC Name
8-(β-D-glucopyranosyloxy)-1-hydroxy-3-methyl-9,10-anthraquinone
Synonyms Sources
8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl β-D-glucopyranoside IUPAC
Chrysophanol 8-glucoside KEGG COMPOUND
Chrysophanol 8-O-beta-D-glucoside KEGG COMPOUND
Manual Xrefs Databases
C00002807 KNApSAcK
C10316 KEGG COMPOUND
LMPK13040007 LIPID MAPS
View more database links
Registry Numbers Types Sources
13241-28-6 CAS Registry Number KEGG COMPOUND
59734 Beilstein Registry Number Beilstein
Last Modified
14 June 2016