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CHEBI:169021 - Kaempferol 7,4'-dimethyl ether 3-O-sulfate

ChEBI IDCHEBI:169021
ChEBI NameKaempferol 7,4'-dimethyl ether 3-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O9S
Net Charge0
Average Mass394.357
Monoisotopic Mass394.03585
SMILESCOc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2OS(=O)(=O)O)cc1
InChIInChI=1S/C17H14O9S/c1-23-10-5-3-9(4-6-10)16-17(26-27(20,21)22)15(19)14-12(18)7-11(24-2)8-13(14)25-16/h3-8,18H,1-2H3,(H,20,21,22)
InChIKeyWXRZYIAUGRZZHE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 7,4'-dimethyl ether 3-O-sulfate (CHEBI:169021) is a ether (CHEBI:25698)
Kaempferol 7,4'-dimethyl ether 3-O-sulfate (CHEBI:169021) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulate
Manual XrefsDatabases
24845266ChemSpider
LMPK12112596LIPID MAPS