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CHEBI:188006 - 3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate

ChEBI IDCHEBI:188006
ChEBI Name3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O13S
Net Charge0
Average Mass512.445
Monoisotopic Mass512.06246
SMILESO=c1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(-c2ccccc2)oc2c(S(=O)(=O)O)c(O)cc(O)c12
InChIInChI=1S/C21H20O13S/c22-7-11-13(25)15(27)16(28)21(32-11)34-19-14(26)12-9(23)6-10(24)20(35(29,30)31)18(12)33-17(19)8-4-2-1-3-5-8/h1-6,11,13,15-16,21-25,27-28H,7H2,(H,29,30,31)/t11?,13-,15+,16?,21+/m1/s1
InChIKeyIFHBLQSSJDMWJS-DLBNBXSVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate (CHEBI:188006) is a flavonoids (CHEBI:72544)
3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate (CHEBI:188006) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-4-oxo-2-phenyl-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-8-sulonic acid
Manual XrefsDatabases
24844399ChemSpider
LMPK12111638LIPID MAPS