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CHEBI:191585 - Chrysophanein

ChEBI IDCHEBI:191585
ChEBI NameChrysophanein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O9
Net Charge0
Average Mass416.382
Monoisotopic Mass416.11073
SMILESCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)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
InChIKeyQKPDYSSHOSPOKH-JNHRPPPUSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Chrysophanein (CHEBI:191585) is a anthraquinone (CHEBI:22580)
IUPAC Name 
8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Manual XrefsDatabases
4884519ChemSpider