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CHEBI:184465 - {[3,5-dihydroxy-2-(4-hydroxyphenyl)-8-methyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-8-yl]methoxy}sulfonic acid

ChEBI IDCHEBI:184465
ChEBI Name{[3,5-dihydroxy-2-(4-hydroxyphenyl)-8-methyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-8-yl]methoxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O10S
Net Charge0
Average Mass448.405
Monoisotopic Mass448.04642
SMILESCC1(COS(=O)(=O)O)C=Cc2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)O1
InChIInChI=1S/C20H16O10S/c1-20(9-28-31(25,26)27)7-6-12-14(30-20)8-13(22)15-16(23)17(24)18(29-19(12)15)10-2-4-11(21)5-3-10/h2-8,21-22,24H,9H2,1H3,(H,25,26,27)
InChIKeyCLNWIXDYLZNXQD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
{[3,5-dihydroxy-2-(4-hydroxyphenyl)-8-methyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-8-yl]methoxy}sulfonic acid (CHEBI:184465) is a extended flavonoid (CHEBI:71037)
IUPAC Name 
[3,5-dihydroxy-2-(4-hydroxyphenyl)-8-methyl-4-oxopyrano[2,3-h]chromen-8-yl]methyl hydrogen sulate
Manual XrefsDatabases
HMDB0127414HMDB
74851975ChemSpider