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CHEBI:184611 - {[6-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-6-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid

ChEBI IDCHEBI:184611
ChEBI Name{[6-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-6-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O12S
Net Charge0
Average Mass496.446
Monoisotopic Mass496.06755
SMILESO=c1cc(-c2ccccc2)oc2cc(O)c(C3OC(COS(=O)(=O)O)C(O)C(O)C3O)c(O)c12
InChIInChI=1S/C21H20O12S/c22-10-6-12(9-4-2-1-3-5-9)32-13-7-11(23)16(18(25)15(10)13)21-20(27)19(26)17(24)14(33-21)8-31-34(28,29)30/h1-7,14,17,19-21,23-27H,8H2,(H,28,29,30)
InChIKeyWGVMBHIKTGMYRP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
{[6-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-6-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid (CHEBI:184611) is a C-glycosyl compound (CHEBI:20857)
{[6-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-6-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid (CHEBI:184611) is a flavonoids (CHEBI:72544)
IUPAC Name 
[6-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulate
Manual XrefsDatabases
HMDB0127123HMDB