Ketcher 05041712382D 1   1.00000     0.00000     0

 21 24  0     0  0            999 V2000
   15.9352  -11.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8048  -12.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0702  -12.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9262  -10.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6788  -11.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7637  -13.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0702  -13.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2097  -11.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0657  -11.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8002  -10.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6832  -10.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6343  -11.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9443  -13.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2097  -13.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3539  -12.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6433  -10.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6788   -9.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2276  -11.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3539  -13.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4979  -13.5884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9597   -9.3203    0.0000 R   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
  3  9  1  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
  8 15  1  0     0  0
 11 16  1  0     0  0
 11 17  1  0     0  0
 12 18  1  0     0  0
 14 19  1  0     0  0
 19 20  2  0     0  0
  7 13  1  0     0  0
 10 11  1  0     0  0
 15 19  1  0     0  0
 16 18  1  0     0  0
 16 21  1  0     0  0
M  END
> <ID>
CHEBI:47788

> <NAME>
3-oxo steroid

> <DEFINITION>
Any oxo steroid where an oxo substituent is located at position 3.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1653; CHEBI:13607; CHEBI:20182; CHEBI:71186

> <SYNONYM>
a 3-oxosteroid; 3-oxosteroids; 3-Oxosteroid; 3-oxo steroids

> <FORMULA>
C19H29OR

> <MASS>
273.434

> <MONOISOTOPIC_MASS>
273.22184

> <CHARGE>
0

> <SMILES>
C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)=O)C

> <KEGG_COMPOUND_ACCESSION>
C01876

> <METACYC_ACCESSION>
3-Oxosteroids

> <PUBMED_CITATION>
9811880

$$$$