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CHEBI:191685 - 1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside

ChEBI IDCHEBI:191685
ChEBI Name1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESCc1cc2c(c(O)c1OC1OC(CO)C(O)C(O)C1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C21H20O11/c1-6-2-8-13(16(27)12-9(14(8)25)3-7(23)4-10(12)24)17(28)20(6)32-21-19(30)18(29)15(26)11(5-22)31-21/h2-4,11,15,18-19,21-24,26,28-30H,5H2,1H3
InChIKeyRYQBZVIMEYASQP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside (CHEBI:191685) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
1,6,8-trihydroxy-3-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Manual XrefsDatabases
HMDB0032903HMDB