27 30  0  0  1  0  0  0  0  0999 V2000
   27.0475  -19.7828    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.8817  -19.1148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.2197  -19.1026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.0291  -21.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7218  -19.7950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.8695  -17.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2256  -17.7484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.5637  -19.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8877  -21.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7218  -21.1309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.5801  -19.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7036  -18.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0415  -17.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3977  -17.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2255  -16.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5637  -17.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5618  -21.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4203  -19.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4203  -21.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0415  -18.5317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8755  -20.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2894  -20.4205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1852  -21.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6846  -17.0852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.4047  -15.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5577  -23.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7500  -16.7120    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
 17 26  1  0     0  0
 14 27  1  6     0  0
M  END
> <ID>
CHEBI:79902

> <NAME>
11beta,17beta-Dihydroxy-4,17-dimethylandrost-4-en-3-one

> <STAR>
2

> <SYNONYM>
11beta-Hydroxy-4,17-dimethyltestosterone

> <FORMULA>
C21H32O3

> <MASS>
332.47700

> <MONOISOTOPIC_MASS>
332.23514

> <CHARGE>
0

> <SMILES>
CC1=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CCC1=O

> <INCHI>
InChI=1S/C21H32O3/c1-12-14-6-5-13-15-7-10-21(4,24)20(15,3)11-17(23)18(13)19(14,2)9-8-16(12)22/h13,15,17-18,23-24H,5-11H2,1-4H3/t13-,15-,17-,18+,19-,20-,21-/m0/s1

> <INCHIKEY>
WGWIOQHCYQKREK-HWNNUFKUSA-N

> <KEGG_COMPOUND_ACCESSION>
C15401

$$$$