null
  CDK     0224162152
null
 28 31  0  0  0  0  0  0  0  0999 V2000
    2.0329   -3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -4.2355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -4.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -6.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -7.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079   -7.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2204   -8.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079   -9.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -9.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -8.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -8.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -7.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -6.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7279  -10.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954  -10.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0628  -10.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8474  -10.2764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6284   -9.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954   -7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 13  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 12  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22  9  1  0  0  0  0 
 17 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 16  1  0  0  0  0 
 25 26  2  0  0  0  0 
 16 27  1  0  0  0  0 
 12 28  1  0  0  0  0 
M  END
> <ID>
CHEBI:91895

> <NAME>
3-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

> <STAR>
2

> <FORMULA>
C25H41NO2

> <MASS>
387.599

> <MONOISOTOPIC_MASS>
387.31373

> <CHARGE>
0

> <SMILES>
CCN(CC)CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C

> <INCHI>
InChI=1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3

> <INCHIKEY>
DMZCCFMMPHJWQY-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-1831

$$$$