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CHEBI:229845 - 2,6-dihydroxy-4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2h-chromen-2-yl)phenyl hydrogen sulfate

ChEBI IDCHEBI:229845
ChEBI Name2,6-dihydroxy-4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2h-chromen-2-yl)phenyl hydrogen sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H12O11S
Net Charge0
Average Mass400.317
Monoisotopic Mass400.01003
SMILESO=C1c2c(O)cc(O)cc2OC(c2cc(O)c(OS(=O)(=O)O)c(O)c2)C1O
InChIInChI=1S/C15H12O11S/c16-6-3-7(17)11-10(4-6)25-14(13(21)12(11)20)5-1-8(18)15(9(19)2-5)26-27(22,23)24/h1-4,13-14,16-19,21H,(H,22,23,24)
InChIKeyNUDBNPBXXDYEIN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
2,6-dihydroxy-4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2h-chromen-2-yl)phenyl hydrogen sulfate (CHEBI:229845) is a catechin (CHEBI:23053)
IUPAC Name 
[2,6-dihydroxy-4-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
74851677ChemSpider