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CHEBI:229873 - 4-(3,5-dihydroxy-8,8-dimethyl-4-oxo-4h,8h-pyrano[2,3-f]chromen-2-yl)phenyl hydrogen sulfate

ChEBI IDCHEBI:229873
ChEBI Name4-(3,5-dihydroxy-8,8-dimethyl-4-oxo-4h,8h-pyrano[2,3-f]chromen-2-yl)phenyl hydrogen sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O9S
Net Charge0
Average Mass432.406
Monoisotopic Mass432.05150
SMILESCC1(C)C=Cc2c(cc(O)c3c(=O)c(O)c(-c4ccc(OS(=O)(=O)O)cc4)oc23)O1
InChIInChI=1S/C20H16O9S/c1-20(2)8-7-12-14(28-20)9-13(21)15-16(22)17(23)18(27-19(12)15)10-3-5-11(6-4-10)29-30(24,25)26/h3-9,21,23H,1-2H3,(H,24,25,26)
InChIKeyMHWJCPWTPJJDFJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
4-(3,5-dihydroxy-8,8-dimethyl-4-oxo-4h,8h-pyrano[2,3-f]chromen-2-yl)phenyl hydrogen sulfate (CHEBI:229873) is a extended flavonoid (CHEBI:71037)
IUPAC Name 
[4-(3,5-dihydroxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromen-2-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
74851970ChemSpider