37 40  0  0  1  0  0  0  0  0999 V2000
   23.8017  -15.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9955  -14.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2595  -15.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9955  -13.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3804  -16.8205    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.9759  -16.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5546  -15.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6781  -14.6437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9030  -14.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9030  -13.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0968  -12.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3608  -13.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3608  -14.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0968  -15.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7093  -12.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5155  -11.9752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2595  -16.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4532  -14.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4532  -13.3797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3297  -12.6072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.7510  -11.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1554  -11.2730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5768  -12.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5234  -17.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5234  -18.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3297  -19.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0657  -18.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0657  -17.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3297  -21.1041    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.7172  -16.8205    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   27.5234  -15.9077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5721  -14.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8900  -15.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2900  -15.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   31.2900  -14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2900  -16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6900  -15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  2  4  1  6     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  1  2  0     0  0
  5  1  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
  9 14  1  0     0  0
 13  7  1  0     0  0
 10 15  1  0     0  0
 15 16  3  0     0  0
  3 17  1  0     0  0
  3 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 19 23  1  0     0  0
 17 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 17 28  1  0     0  0
 26 29  1  0     0  0
 24 30  1  0     0  0
  3 31  1  1     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  2  0     0  0
 34 36  1  0     0  0
 34 37  1  0     0  0
M  END
> <ID>
CHEBI:34549

> <NAME>
BMS 379224

> <STAR>
2

> <SYNONYM>
BMS 379224

> <FORMULA>
C23H20F2N5O5PS

> <MASS>
547.473

> <MONOISOTOPIC_MASS>
547.08908

> <CHARGE>
0

> <SMILES>
C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@@](Cn1cncn1)(OCOP(O)(O)=O)c1ccc(F)cc1F

> <INCHI>
InChI=1S/C23H20F2N5O5PS/c1-15(22-29-21(10-37-22)17-4-2-16(9-26)3-5-17)23(11-30-13-27-12-28-30,34-14-35-36(31,32)33)19-7-6-18(24)8-20(19)25/h2-8,10,12-13,15H,11,14H2,1H3,(H2,31,32,33)/t15-,23+/m0/s1

> <INCHIKEY>
SYTNEMZCCLUTNX-NPMXOYFQSA-N

> <KEGG_COMPOUND_ACCESSION>
C14817

$$$$