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CHEBI:187775 - {2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid

ChEBI IDCHEBI:187775
ChEBI Name{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O12S
Net Charge0
Average Mass482.419
Monoisotopic Mass482.05190
SMILESO=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3OS(=O)(=O)O)c(O)cc(O)c12
InChIInChI=1S/C20H18O12S/c21-9-3-1-8(2-4-9)14-6-12(24)15-10(22)5-11(23)16(18(15)31-14)19-20(32-33(27,28)29)17(26)13(25)7-30-19/h1-6,13,17,19-23,25-26H,7H2,(H,27,28,29)
InChIKeyCQOFEJSADCVBEH-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-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid (CHEBI:187775) is a C-glycosyl compound (CHEBI:20857)
{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid (CHEBI:187775) is a flavonoids (CHEBI:72544)
IUPAC Name 
[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxyoxan-3-yl] hydrogen sulate
Manual XrefsDatabases
HMDB0127256HMDB