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CHEBI:191887 - 3,6-dihydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate

ChEBI IDCHEBI:191887
ChEBI Name3,6-dihydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15O8S
Net Charge-1
Average Mass367.355
Monoisotopic Mass367.04931
SMILESCOc1cccc(C2Oc3cc(OS(=O)O)c(O)c([O-])c3CC2O)c1
InChIInChI=1S/C16H16O8S/c1-22-9-4-2-3-8(5-9)16-11(17)6-10-12(23-16)7-13(24-25(20)21)15(19)14(10)18/h2-5,7,11,16-19H,6H2,1H3,(H,20,21)/p-1
InChIKeyXBOIKARYUAGYEQ-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS4638)
ChEBI Ontology
Outgoing Relation(s)
3,6-dihydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate (CHEBI:191887) is a ether (CHEBI:25698)
3,6-dihydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate (CHEBI:191887) is a flavonoids (CHEBI:72544)
IUPAC Name 
3,6-dihydroxy-2-(3-methoxyphenyl)-7-sulinooxy-3,4-dihydro-2H-chromen-5-olate