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CHEBI:135540 - alkofanone

ChEBI IDCHEBI:135540
ChEBI Namealkofanone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H19NO3S
Net Charge0
Average Mass365.454
Monoisotopic Mass365.10856
SMILESNc1ccc(S(=O)(=O)C(CC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c22-18-11-13-19(14-12-18)26(24,25)21(17-9-5-2-6-10-17)15-20(23)16-7-3-1-4-8-16/h1-14,21H,15,22H2
InChIKeyVWEMSUCCUQSLME-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
alkofanone (CHEBI:135540) is a dihydrochalcones (CHEBI:71230)
Synonyms  Source
clafanoneDrugCentral
alfoneDrugCentral
Manual XrefsDatabases
121DrugCentral
Registry NumbersSources
CAS:7527-94-8DrugCentral