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CHEBI:51772 - 7-amino-4-(trifluoromethyl)coumarin

Default Structure
ChEBI IDCHEBI:51772
ChEBI Name7-amino-4-(trifluoromethyl)coumarin
Stars
Last Modified29 June 2017
SubmitterInma Spiteri
DownloadsMolfile
FormulaC10H6F3NO2
Net Charge0
Average Mass229.157
Monoisotopic Mass229.03506
SMILESNc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2
InChIKeyJBNOVHJXQSHGRL-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
7-amino-4-(trifluoromethyl)coumarin (CHEBI:51772) has role fluorochrome (CHEBI:51217)
7-amino-4-(trifluoromethyl)coumarin (CHEBI:51772) is a 7-aminocoumarins (CHEBI:51769)
Incoming Relation(s)
Ac-Tyr-Val-Ala-Asp-7-amino-4-trifluoromethylcoumarin (CHEBI:136755) has functional parent 7-amino-4-(trifluoromethyl)coumarin (CHEBI:51772)
IUPAC Name 
7-amino-4-(trifluoromethyl)-2H-chromen-2-one
Synonym  Source
coumarin 151ChEBI
Registry NumbersSources
Beilstein:4456797Beilstein
CAS:53518-15-3ChemIDplus