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CHEBI:193490 - Quercetagetin 3-methyl ether 7-O-sulfate

ChEBI IDCHEBI:193490
ChEBI NameQuercetagetin 3-methyl ether 7-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O11S
Net Charge0
Average Mass412.328
Monoisotopic Mass412.01003
SMILESCOc1c(-c2ccc(O)c(O)c2)oc2cc(OS(=O)(=O)O)c(O)c(O)c2c1=O
InChIInChI=1S/C16H12O11S/c1-25-16-14(21)11-9(5-10(12(19)13(11)20)27-28(22,23)24)26-15(16)6-2-3-7(17)8(18)4-6/h2-5,17-20H,1H3,(H,22,23,24)
InChIKeyQOBBVPZWFXTPBO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Quercetagetin 3-methyl ether 7-O-sulfate (CHEBI:193490) is a ether (CHEBI:25698)
Quercetagetin 3-methyl ether 7-O-sulfate (CHEBI:193490) is a flavonoids (CHEBI:72544)
IUPAC Name 
[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-4-oxochromen-7-yl] hydrogen sulate
Manual XrefsDatabases
24845589ChemSpider
LMPK12113027LIPID MAPS