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CHEBI:176078 - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 8-O-b-D-glucoside

ChEBI IDCHEBI:176078
ChEBI Name1,8-Dihydroxy-3-hydroxymethylanthraquinone 8-O-b-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O10
Net Charge0
Average Mass432.381
Monoisotopic Mass432.10565
SMILESO=C1c2cc(CO)cc(O)c2C(=O)c2c(OC3OC(CO)C(O)C(O)C3O)cccc21
InChIInChI=1S/C21H20O10/c22-6-8-4-10-14(11(24)5-8)18(27)15-9(16(10)25)2-1-3-12(15)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2
InChIKeyKIZBWUUJNJEYCM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,8-Dihydroxy-3-hydroxymethylanthraquinone 8-O-b-D-glucoside (CHEBI:176078) is a anthraquinone (CHEBI:22580)
IUPAC Name 
1-hydroxy-3-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Manual XrefsDatabases
12944950ChemSpider
HMDB0029679HMDB