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CHEBI:143478 - Tolcapone 5-amino-3-O-sulfate

ChEBI IDCHEBI:143478
ChEBI NameTolcapone 5-amino-3-O-sulfate
Stars
Submittermwilliams
DownloadsMolfile
FormulaC14H13NO6S
Net Charge0
Average Mass323.326
Monoisotopic Mass323.04636
SMILESCc1ccc(C(=O)c2cc(N)c(O)c(OS(=O)(=O)O)c2)cc1
InChIInChI=1S/C14H13NO6S/c1-8-2-4-9(5-3-8)13(16)10-6-11(15)14(17)12(7-10)21-22(18,19)20/h2-7,17H,15H2,1H3,(H,18,19,20)
InChIKeyXXEISDBRYZQIMM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Tolcapone 5-amino-3-O-sulfate (CHEBI:143478) is a benzophenones (CHEBI:22726)