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CHEBI:175493 - 4'-O-Methyl-(-)-epicatechin-7-O-sulphate

ChEBI IDCHEBI:175493
ChEBI Name4'-O-Methyl-(-)-epicatechin-7-O-sulphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7S
Net Charge0
Average Mass352.364
Monoisotopic Mass352.06167
SMILESCOc1ccc(C2Oc3cc(S(=O)O)cc(O)c3CC2O)cc1O
InChIInChI=1S/C16H16O7S/c1-22-14-3-2-8(4-12(14)18)16-13(19)7-10-11(17)5-9(24(20)21)6-15(10)23-16/h2-6,13,16-19H,7H2,1H3,(H,20,21)
InChIKeyJENKBLJXTTYNTJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-O-Methyl-(-)-epicatechin-7-O-sulphate (CHEBI:175493) is a ether (CHEBI:25698)
4'-O-Methyl-(-)-epicatechin-7-O-sulphate (CHEBI:175493) is a flavonoids (CHEBI:72544)
IUPAC Name 
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-7-sulinic acid
Manual XrefsDatabases
74849514ChemSpider
HMDB0127892HMDB