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CHEBI:185696 - 6-Hydroxykaempferol 7,4'-dimethyl ether 3-sulfate

ChEBI IDCHEBI:185696
ChEBI Name6-Hydroxykaempferol 7,4'-dimethyl ether 3-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O10S
Net Charge0
Average Mass410.356
Monoisotopic Mass410.03077
SMILESCOc1ccc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OS(=O)(=O)O)cc1
InChIInChI=1S/C17H14O10S/c1-24-9-5-3-8(4-6-9)16-17(27-28(21,22)23)15(20)12-10(26-16)7-11(25-2)13(18)14(12)19/h3-7,18-19H,1-2H3,(H,21,22,23)
InChIKeyNQHBTXFVHIYSTF-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)
6-Hydroxykaempferol 7,4'-dimethyl ether 3-sulfate (CHEBI:185696) is a ether (CHEBI:25698)
6-Hydroxykaempferol 7,4'-dimethyl ether 3-sulfate (CHEBI:185696) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulate
Manual XrefsDatabases
LMPK12112885LIPID MAPS
24845482ChemSpider