CHEBI:4783 - Emodin 8-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Emodin 8-glucoside
ChEBI ID CHEBI:4783
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H20O10
Net Charge 0
Average Mass 432.378
Monoisotopic Mass 432.10565
InChI InChI=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
InChIKey HSWIRQIYASIOBE-JNHRPPPUSA-N
SMILES Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3C(=O)c2c1
ChEBI Ontology
Outgoing Emodin 8-glucoside (CHEBI:4783) is a dihydroxyanthraquinone (CHEBI:37484)
Synonyms Sources
1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-9,10-anthraquinone KEGG COMPOUND
Emodin 8-glucoside KEGG COMPOUND
Manual Xrefs Databases
C00002823 KNApSAcK
C10345 KEGG COMPOUND
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Registry Number Type Source
38840-23-2 CAS Registry Number KEGG COMPOUND
Last Modified
14 June 2016