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CHEBI:186471 - Quercetin 3,7,3',4'-tetra-O-sulfate

ChEBI IDCHEBI:186471
ChEBI NameQuercetin 3,7,3',4'-tetra-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H10O19S4
Net Charge0
Average Mass622.494
Monoisotopic Mass621.86991
SMILESO=c1c(OS(=O)(=O)O)c(-c2ccc(OS(=O)(=O)O)c(OS(=O)(=O)O)c2)oc2cc(OS(=O)(=O)O)cc(O)c12
InChIInChI=1S/C15H10O19S4/c16-8-4-7(31-35(18,19)20)5-11-12(8)13(17)15(34-38(27,28)29)14(30-11)6-1-2-9(32-36(21,22)23)10(3-6)33-37(24,25)26/h1-5,16H,(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)
InChIKeyOMQGPSILOWIPLU-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 3,7,3',4'-tetra-O-sulfate (CHEBI:186471) is a flavones (CHEBI:24043)
IUPAC Name 
[2-(3,4-disulooxyphenyl)-5-hydroxy-4-oxo-3-sulooxychromen-7-yl] hydrogen sulate
Manual XrefsDatabases
8524414ChemSpider
LMPK12112313LIPID MAPS