27 30  0  0  1  0  0  0  0  0999 V2000
   22.7075  -16.6328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.5417  -15.9648    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.8797  -15.9526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.6891  -18.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3818  -16.6450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.5295  -14.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8856  -14.5984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.2237  -15.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5477  -18.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3818  -17.9809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2401  -15.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3636  -15.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7015  -13.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0577  -13.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8855  -12.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2237  -14.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2218  -18.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0803  -16.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0803  -17.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7015  -15.3817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5355  -17.2824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9494  -17.2705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8452  -18.6859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3445  -13.9352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0647  -12.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5321  -20.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4100  -13.5621    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
  9 26  1  6     0  0
 14 27  1  6     0  0
M  END
> <ID>
CHEBI:79534

> <NAME>
11beta,17beta-Dihydroxy-6alpha,17-dimethylandrost-4-en-3-one

> <STAR>
2

> <FORMULA>
C21H32O3

> <MASS>
332.47700

> <MONOISOTOPIC_MASS>
332.23514

> <CHARGE>
0

> <SMILES>
C[C@H]1C[C@H]2[C@@H]3CC[C@](C)(O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12

> <INCHI>
InChI=1S/C21H32O3/c1-12-9-14-15-6-8-21(4,24)20(15,3)11-17(23)18(14)19(2)7-5-13(22)10-16(12)19/h10,12,14-15,17-18,23-24H,5-9,11H2,1-4H3/t12-,14-,15-,17-,18+,19-,20-,21-/m0/s1

> <INCHIKEY>
LZRQDFQQYIQZLG-YEYOAGGMSA-N

> <KEGG_COMPOUND_ACCESSION>
C15011

$$$$