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CHEBI:4783 - Emodin 8-glucoside

Default Structure
ChEBI IDCHEBI:4783
ChEBI NameEmodin 8-glucoside
Stars
Last Modified14 June 2016
DownloadsMolfile
FormulaC21H20O10
Net Charge0
Average Mass432.381
Monoisotopic Mass432.10565
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
InChIInChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
InChIKeyHSWIRQIYASIOBE-JNHRPPPUSA-N
ChEBI Ontology
Outgoing Relation(s)
Emodin 8-glucoside (CHEBI:4783) is a dihydroxyanthraquinone (CHEBI:37484)
Synonyms  Source
1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-9,10-anthraquinoneKEGG COMPOUND
Emodin 8-glucosideKEGG COMPOUND
Manual XrefsDatabases
C00002823KNApSAcK
C10345KEGG COMPOUND
Registry NumbersSources
CAS:38840-23-2KEGG COMPOUND