Ketcher 11042009412D 1   1.00000     0.00000     0

 22 25  0     1  0            999 V2000
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   -2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6830    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6830    2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9921    3.2600    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  2  9  1  0     0  0
  1  3  1  0     0  0
  4  2  1  0     0  0
  4  7  1  0     0  0
  5  4  1  0     0  0
  5 10  1  0     0  0
  6  5  1  0     0  0
  6  3  1  0     0  0
 14  6  1  0     0  0
  8  7  1  0     0  0
 20  8  1  0     0  0
 20  9  1  0     0  0
 10 11  1  0     0  0
 15 11  1  0     0  0
 14 12  1  0     0  0
 13 12  1  0     0  0
 13 18  1  0     0  0
 14 15  1  0     0  0
 15 18  1  0     0  0
 18 19  1  0     0  0
 20 21  2  0     0  0
  4 16  1  0     0  0
 15 17  1  0     0  0
  7 22  2  0     0  0
M  END
> <ID>
CHEBI:157751

> <NAME>
steroid 1,3-dione

> <STAR>
2

> <SYNONYM>
a steroid 1,3-dione

> <FORMULA>
C19H27O2R

> <MASS>
287.417

> <MONOISOTOPIC_MASS>
287.20111

> <CHARGE>
0

> <SMILES>
C1C2CC(CC(C2(C3CCC4(C(C3C1)CCC4*)C)C)=O)=O

> <METACYC_ACCESSION>
Steroid-13-Dione

> <PUBMED_CITATION>
26872041

$$$$