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CHEBI:193450 - [5,7-dihydroxy-2-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid

ChEBI IDCHEBI:193450
ChEBI Name[5,7-dihydroxy-2-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O9S
Net Charge0
Average Mass382.346
Monoisotopic Mass382.03585
SMILESCOc1cccc(C2Oc3cc(O)cc(O)c3C(=O)C2OS(=O)(=O)O)c1
InChIInChI=1S/C16H14O9S/c1-23-10-4-2-3-8(5-10)15-16(25-26(20,21)22)14(19)13-11(18)6-9(17)7-12(13)24-15/h2-7,15-18H,1H3,(H,20,21,22)
InChIKeyKFGCAQLHWWHIHV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
[5,7-dihydroxy-2-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid (CHEBI:193450) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5,7-dihydroxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] hydrogen sulate
Manual XrefsDatabases
74851940ChemSpider