27 30  0  0  1  0  0  0  0  0999 V2000
   18.5070  -17.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5070  -18.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6849  -19.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8627  -18.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8627  -17.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6849  -16.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0407  -19.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2185  -18.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2185  -17.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0407  -16.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3965  -16.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3965  -15.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2185  -14.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0407  -15.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7520  -16.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7520  -15.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5741  -14.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0433  -17.8987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4234  -17.8987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1995  -15.8586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4234  -13.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5793  -13.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8597  -15.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9197  -14.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3044  -19.2733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8627  -19.9787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0407  -20.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  5 10  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 10 14  1  0     0  0
 11 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 12 17  1  0     0  0
 10 18  1  6     0  0
 11 19  1  6     0  0
  9 20  1  1     0  0
 12 21  1  1     0  0
 17 22  1  1     0  0
  5 23  1  1     0  0
 17 24  1  6     0  0
  2 25  1  1     0  0
  4 26  1  6     0  0
  7 27  1  6     0  0
M  END
> <ID>
CHEBI:79405

> <NAME>
6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol

> <STAR>
2

> <FORMULA>
C21H36O2

> <MASS>
320.50930

> <MONOISOTOPIC_MASS>
320.27153

> <CHARGE>
0

> <SMILES>
C[C@H]1C[C@H]2[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@H]12

> <INCHI>
InChI=1S/C21H36O2/c1-13-11-15-16(19(2)8-5-14(22)12-18(13)19)6-9-20(3)17(15)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14-,15+,16-,17-,18+,19+,20-,21-/m0/s1

> <INCHIKEY>
JGPUZUZZOULXJW-VLWKOFFBSA-N

> <KEGG_COMPOUND_ACCESSION>
C14878

$$$$