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CHEBI:145963 - 3'-O-methyl-(-)-epicatechin-5-O-sulphate

ChEBI IDCHEBI:145963
ChEBI Name3'-O-methyl-(-)-epicatechin-5-O-sulphate
Stars
Submittermwilliams
DownloadsMolfile
FormulaC16H16O7S
Net Charge0
Average Mass352.364
Monoisotopic Mass352.06167
SMILESCOc1cc(C2Oc3cc(O)cc(S(=O)O)c3CC2O)ccc1O
InChIInChI=1S/C16H16O7S/c1-22-14-4-8(2-3-11(14)18)16-12(19)7-10-13(23-16)5-9(17)6-15(10)24(20)21/h2-6,12,16-19H,7H2,1H3,(H,20,21)
InChIKeyOMVRUQZBAZIVBR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3'-O-methyl-(-)-epicatechin-5-O-sulphate (CHEBI:145963) is a catechin (CHEBI:23053)
Manual XrefsDatabases
HMDB0029176HMDB