27 30  0  0  1  0  0  0  0  0999 V2000
   22.8475  -17.1928    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.6817  -16.5248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.0197  -16.5126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.8291  -18.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5218  -17.2050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.6695  -15.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0256  -15.1584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.3637  -16.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6877  -19.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5218  -18.5409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3801  -16.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5036  -15.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8415  -14.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1977  -14.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0255  -13.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3637  -15.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3618  -19.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2203  -17.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2203  -18.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8415  -15.9417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6755  -17.8424    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   24.0894  -17.8305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9852  -19.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4845  -14.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2047  -13.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0026  -16.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5500  -14.1221    0.0000 C   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
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  1     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
  7 15  1  1     0  0
  8 16  1  0     0  0
 10 17  2  0     0  0
 11 18  1  0     0  0
 17 19  1  0     0  0
  7 13  1  0     0  0
  9 10  1  0     0  0
 14 16  1  0     0  0
 18 19  1  0     0  0
  1 20  1  1     0  0
  2 21  1  6     0  0
  3 22  1  6     0  0
 19 23  2  0     0  0
  6 24  1  1     0  0
 14 25  1  1     0  0
 18 26  1  0     0  0
 14 27  1  6     0  0
M  END
> <ID>
CHEBI:79632

> <NAME>
9-Fluoro-11beta,17beta-dihydroxy-2,17-dimethylandrost-4-en-3-one

> <STAR>
2

> <FORMULA>
C21H31FO3

> <MASS>
350.46740

> <MONOISOTOPIC_MASS>
350.22572

> <CHARGE>
0

> <SMILES>
CC1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)C[C@H](O)[C@]23F)=CC1=O

> <INCHI>
InChI=1S/C21H31FO3/c1-12-10-18(2)13(9-16(12)23)5-6-15-14-7-8-20(4,25)19(14,3)11-17(24)21(15,18)22/h9,12,14-15,17,24-25H,5-8,10-11H2,1-4H3/t12?,14-,15-,17-,18-,19-,20-,21-/m0/s1

> <INCHIKEY>
ZVKKSLFHXTYQQE-BEEPJJAKSA-N

> <KEGG_COMPOUND_ACCESSION>
C15113

$$$$