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CHEBI:185612 - {[8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methoxy}sulfonic acid

ChEBI IDCHEBI:185612
ChEBI Name{[8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methoxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O10S
Net Charge0
Average Mass448.405
Monoisotopic Mass448.04642
SMILESCC1(COS(=O)(=O)O)C=Cc2c(cc3oc(-c4ccc(O)cc4O)cc(=O)c3c2O)O1
InChIInChI=1S/C20H16O10S/c1-20(9-28-31(25,26)27)5-4-12-16(30-20)8-17-18(19(12)24)14(23)7-15(29-17)11-3-2-10(21)6-13(11)22/h2-8,21-22,24H,9H2,1H3,(H,25,26,27)
InChIKeyJBDBHJDDZFWFHR-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)
{[8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methoxy}sulfonic acid (CHEBI:185612) is a extended flavonoid (CHEBI:71037)
IUPAC Name 
[8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxopyrano[3,2-g]chromen-2-yl]methyl hydrogen sulate
Manual XrefsDatabases
HMDB0127436HMDB
74851982ChemSpider