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CHEBI:187271 - [2-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-4,5-dihydroxyoxan-3-yl]oxidanesulfonic acid

ChEBI IDCHEBI:187271
ChEBI Name[2-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-4,5-dihydroxyoxan-3-yl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O11S
Net Charge0
Average Mass466.420
Monoisotopic Mass466.05698
SMILESO=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3OS(=O)(=O)O)c(O)cc(O)c12
InChIInChI=1S/C20H18O11S/c21-10-6-11(22)16(19-20(31-32(26,27)28)17(25)13(24)8-29-19)18-15(10)12(23)7-14(30-18)9-4-2-1-3-5-9/h1-7,13,17,19-22,24-25H,8H2,(H,26,27,28)
InChIKeyPATPNPZJXVMKBT-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)
[2-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-4,5-dihydroxyoxan-3-yl]oxidanesulfonic acid (CHEBI:187271) is a C-glycosyl compound (CHEBI:20857)
[2-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-4,5-dihydroxyoxan-3-yl]oxidanesulfonic acid (CHEBI:187271) is a flavonoids (CHEBI:72544)
IUPAC Name 
[2-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-4,5-dihydroxyoxan-3-yl] hydrogen sulate
Manual XrefsDatabases
HMDB0127265HMDB