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CHEBI:191902 - Sulfurein

ChEBI IDCHEBI:191902
ChEBI NameSulfurein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O10
Net Charge0
Average Mass432.381
Monoisotopic Mass432.10565
SMILESO=C1/C(=C/c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc21
InChIInChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-10-2-3-11-14(7-10)30-15(17(11)25)6-9-1-4-12(23)13(24)5-9/h1-7,16,18-24,26-28H,8H2/b15-6-/t16-,18-,19+,20-,21-/m1/s1
InChIKeyMEHCTOVFPFJFEW-LTEMJKMTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS4638)
ChEBI Ontology
Outgoing Relation(s)
Sulfurein (CHEBI:191902) is a aurones (CHEBI:72576)
Sulfurein (CHEBI:191902) is a glycoside (CHEBI:24400)
IUPAC Name 
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzouran-3-one
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8246982ChemSpider