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CHEBI:51940 - coumarin 504

ChEBI IDCHEBI:51940
ChEBI Namecoumarin 504
Stars
Last Modified2 March 2015
SubmitterInma Spiteri
DownloadsMolfile
FormulaC18H19NO4
Net Charge0
Average Mass313.353
Monoisotopic Mass313.13141
SMILESCCOC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3
InChIInChI=1S/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3
InChIKeyVMJKUPWQKZFFCX-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
coumarin 504 (CHEBI:51940) has role fluorochrome (CHEBI:51217)
coumarin 504 (CHEBI:51940) is a 7-aminocoumarins (CHEBI:51769)
coumarin 504 (CHEBI:51940) is a ethyl ester (CHEBI:23990)
IUPAC Name 
ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate
Synonym  Source
Coumarin 314ChEBI
Registry NumbersSources
Beilstein:5123844Beilstein
CAS:55804-66-5ChemIDplus