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CHEBI:193325 - [5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid

ChEBI IDCHEBI:193325
ChEBI Name[5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O11S
Net Charge0
Average Mass414.344
Monoisotopic Mass414.02568
SMILESCOc1cc(C2Oc3cc(O)c(O)c(O)c3C(=O)C2OS(=O)(=O)O)ccc1O
InChIInChI=1S/C16H14O11S/c1-25-9-4-6(2-3-7(9)17)15-16(27-28(22,23)24)14(21)11-10(26-15)5-8(18)12(19)13(11)20/h2-5,15-20H,1H3,(H,22,23,24)
InChIKeyGJHHNPMKDKTDHL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
[5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid (CHEBI:193325) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] hydrogen sulate
Manual XrefsDatabases
74852353ChemSpider