Marvin  11231112202D          

 17 18  0  0  0  0            999 V2000
   10.0082   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0082   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2937   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2937   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4372   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4372   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7226   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7226   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1516   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1516   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8661   -6.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1516   -7.4251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2936   -4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8647   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8647   -6.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  1  1  0  0  0  0
  7 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
  8 12  1  0  0  0  0
  3 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
> <ID>
CHEBI:63236

> <NAME>
pacific blue

> <DEFINITION>
A hydroxycoumarin having the hydroxy group located at position 7 and bearing two fluoro substituents at positions 6 and 8 as well as a carboxy group at position 3. A fluorescent dye of excitation wavelength 403 nm and emission wavelength 455 nm.

> <STAR>
3

> <SYNONYM>
6,8-difluoro-7-hydroxy-3-carboxycoumarin

> <IUPAC_NAME>
6,8-difluoro-7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid

> <FORMULA>
C10H4F2O5

> <MASS>
242.13260

> <MONOISOTOPIC_MASS>
242.00268

> <CHARGE>
0

> <SMILES>
OC(=O)c1cc2cc(F)c(O)c(F)c2oc1=O

> <INCHI>
InChI=1S/C10H4F2O5/c11-5-2-3-1-4(9(14)15)10(16)17-8(3)6(12)7(5)13/h1-2,13H,(H,14,15)

> <INCHIKEY>
VYNDHICBIRRPFP-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
8067623

> <PUBMED_CITATION>
19245228; 20000340; 20824632

$$$$