null
  CDK     0224162328
null
 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.4586    3.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -2.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1875    0.9355    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.9355    0.0000 O   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 
  5  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  8  1  0  0  0  0 
  5 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
 17 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:104043

> <NAME>
3-(4-chlorophenyl)-1-(4-morpholinyl)-3-heptanol

> <STAR>
2

> <FORMULA>
C17H26ClNO2

> <MASS>
311.847

> <MONOISOTOPIC_MASS>
311.16521

> <CHARGE>
0

> <SMILES>
CCCCC(CCN1CCOCC1)(C2=CC=C(C=C2)Cl)O

> <INCHI>
InChI=1S/C17H26ClNO2/c1-2-3-8-17(20,15-4-6-16(18)7-5-15)9-10-19-11-13-21-14-12-19/h4-7,20H,2-3,8-14H2,1H3

> <INCHIKEY>
JQGJZCGPFJCXDL-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-15401

$$$$