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CHEBI:149590 - catechin 3-sulfate

ChEBI IDCHEBI:149590
ChEBI Namecatechin 3-sulfate
Stars
Submittermwilliams
DownloadsMolfile
FormulaC15H14O9S
Net Charge0
Average Mass370.335
Monoisotopic Mass370.03585
SMILESO=S(=O)(O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
InChIInChI=1S/C15H14O9S/c16-8-4-11(18)9-6-14(24-25(20,21)22)15(23-13(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,14-19H,6H2,(H,20,21,22)/t14-,15+/m0/s1
InChIKeyFLSYXGAHKYHTCZ-LSDHHAIUSA-N
ChEBI Ontology
Outgoing Relation(s)
catechin 3-sulfate (CHEBI:149590) has functional parent catechin (CHEBI:23053)
catechin 3-sulfate (CHEBI:149590) is a hydroxyflavan (CHEBI:72010)
Manual XrefsDatabases
HMDB0240437HMDB