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CHEBI:187546 - Quercetin 3,7-di-O-sulfate

ChEBI IDCHEBI:187546
ChEBI NameQuercetin 3,7-di-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H10O13S2
Net Charge0
Average Mass462.366
Monoisotopic Mass461.95628
SMILESO=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2cc(OS(=O)(=O)O)cc(O)c12
InChIInChI=1S/C15H10O13S2/c16-8-2-1-6(3-9(8)17)14-15(28-30(23,24)25)13(19)12-10(18)4-7(5-11(12)26-14)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)
InChIKeyWFXOPUUONQJQRD-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-di-O-sulfate (CHEBI:187546) is a flavones (CHEBI:24043)
IUPAC Name 
[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-sulooxychromen-7-yl] hydrogen sulate
Manual XrefsDatabases
LMPK12112307LIPID MAPS
24845009ChemSpider