26 29  0  0  1  0  0  0  0  0999 V2000
   25.8606  -19.3405    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.6349  -20.0466    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.0627  -20.0466    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.8606  -17.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6349  -21.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4211  -19.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6349  -18.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2707  -19.3637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.0627  -21.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0627  -17.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8606  -22.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4211  -22.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2131  -20.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2707  -17.9924    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   29.4847  -20.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2131  -21.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4730  -17.2921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2707  -16.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6927  -19.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0226  -22.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6927  -17.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9006  -17.2921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8430  -20.8111    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   27.0627  -18.6519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2707  -20.7644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6231  -17.2105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  2  7  1  1     0  0
  3  8  1  0     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  2  0     0  0
  6 13  2  0     0  0
  8 14  1  0     0  0
  8 15  1  0     0  0
 12 16  1  0     0  0
 14 17  1  0     0  0
 14 18  1  1     0  0
 15 19  1  0     0  0
 16 20  2  0     0  0
 17 21  1  0     0  0
 21 22  2  0     0  0
  9 11  1  0     0  0
 10 14  1  0     0  0
 13 16  1  0     0  0
 19 21  1  0     0  0
  1 23  1  6     0  0
  3 24  1  1     0  0
  8 25  1  6     0  0
  4 26  2  0     0  0
M  END
> <ID>
CHEBI:79888

> <NAME>
1-Dehydro-9-fluoro-11-oxotestololactone

> <STAR>
2

> <FORMULA>
C19H21FO4

> <MASS>
332.36600

> <MONOISOTOPIC_MASS>
332.14239

> <CHARGE>
0

> <SMILES>
C[C@]12CC(=O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2

> <INCHI>
InChI=1S/C19H21FO4/c1-17-8-7-12(21)9-11(17)3-4-14-13-5-6-16(23)24-18(13,2)10-15(22)19(14,17)20/h7-9,13-14H,3-6,10H2,1-2H3/t13-,14-,17-,18-,19-/m0/s1

> <INCHIKEY>
YIGCZRBQSHBYRL-ZENYQMPMSA-N

> <KEGG_COMPOUND_ACCESSION>
C15387

$$$$