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CHEBI:186799 - Quercetin 7,3',4'-trimethyl ether 3-sulfate

ChEBI IDCHEBI:186799
ChEBI NameQuercetin 7,3',4'-trimethyl ether 3-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O10S
Net Charge0
Average Mass424.383
Monoisotopic Mass424.04642
SMILESCOc1cc(O)c2c(=O)c(OS(=O)(=O)O)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C18H16O10S/c1-24-10-7-11(19)15-14(8-10)27-17(18(16(15)20)28-29(21,22)23)9-4-5-12(25-2)13(6-9)26-3/h4-8,19H,1-3H3,(H,21,22,23)
InChIKeyRRGDPLTYDHRBNH-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)
Quercetin 7,3',4'-trimethyl ether 3-sulfate (CHEBI:186799) is a ether (CHEBI:25698)
Quercetin 7,3',4'-trimethyl ether 3-sulfate (CHEBI:186799) is a flavonoids (CHEBI:72544)
IUPAC Name 
[2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-3-yl] hydrogen sulate
Manual XrefsDatabases
24845323ChemSpider
LMPK12112657LIPID MAPS