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CHEBI:193273 - [5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]oxidanesulfonic acid

ChEBI IDCHEBI:193273
ChEBI Name[5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O9S
Net Charge0
Average Mass384.362
Monoisotopic Mass384.05150
SMILESCOc1ccc(C2COc3cc(O)cc(O)c3C2OS(=O)(=O)O)c(O)c1
InChIInChI=1S/C16H16O9S/c1-23-9-2-3-10(12(18)6-9)11-7-24-14-5-8(17)4-13(19)15(14)16(11)25-26(20,21)22/h2-6,11,16-19H,7H2,1H3,(H,20,21,22)
InChIKeyYMLQLNWXCVHDEM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
[5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]oxidanesulfonic acid (CHEBI:193273) is a ether (CHEBI:25698)
[5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]oxidanesulfonic acid (CHEBI:193273) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] hydrogen sulate
Manual XrefsDatabases
74853475ChemSpider