Ketcher 09092111312D 1   1.00000     0.00000     0

 22 25  0     1  0            999 V2000
   12.9762  -11.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8447  -11.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1122  -11.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9673  -10.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7178  -11.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8443  -12.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1122  -12.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2526  -11.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1077  -10.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8403   -9.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7223  -10.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6723  -11.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9853  -13.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2526  -13.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979  -11.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6814   -9.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7178   -9.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2648  -10.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979  -12.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9977   -8.8881    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   14.7178  -12.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5853  -12.6555    0.0000 O   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
  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 20  1  0     0  0
 21 22  2  0     0  0
  5 21  1  6     0  0
M  END
> <ID>
CHEBI:176902

> <NAME>
14alpha-formyl steroid

> <DEFINITION>
Any 14-formyl steroid in which the formyl group at position 14 has α- configuration.

> <STAR>
3

> <SYNONYM>
a 14alpha-formyl steroid; 14alpha-formyl steroids; 14alpha-formyl steroids; 14alpha-formyl steroid

> <FORMULA>
C20H31OR

> <MASS>
287.460

> <MONOISOTOPIC_MASS>
287.23749

> <CHARGE>
0

> <SMILES>
CC12CCC3C(CCC4CCCCC34C)[C@@]1(CCC2[*])C=O

> <METACYC_ACCESSION>
14a-formylsteroids

$$$$