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CHEBI:135792 - sulisatin

ChEBI IDCHEBI:135792
ChEBI Namesulisatin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H17NO9S2
Net Charge0
Average Mass491.499
Monoisotopic Mass491.03447
SMILESCc1cccc2c1NC(=O)C2(c1ccc(OS(=O)(=O)O)cc1)c1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C21H17NO9S2/c1-13-3-2-4-18-19(13)22-20(23)21(18,14-5-9-16(10-6-14)30-32(24,25)26)15-7-11-17(12-8-15)31-33(27,28)29/h2-12H,1H3,(H,22,23)(H,24,25,26)(H,27,28,29)
InChIKeyURNFTLVCQLRCMN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
sulisatin (CHEBI:135792) is a aryl sulfate (CHEBI:37919)
Manual XrefsDatabases
2535DrugCentral
Registry NumbersSources
CAS:54935-03-4DrugCentral