null
  CDK     0224162203
null
 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0340   -2.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481   -1.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2822   -0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3428   -0.4887    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 
  4  3  1  1  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  5  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  4  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  1  0  0  0  0 
  4 13  1  6  0  0  0 
 13 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:95018

> <NAME>
(2S)-2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one

> <STAR>
2

> <FORMULA>
C10H17NO3

> <MASS>
199.247

> <MONOISOTOPIC_MASS>
199.12084

> <CHARGE>
0

> <SMILES>
COC[C@]1(C(=O)C2CCN1CC2)CO

> <INCHI>
InChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3/t10-/m0/s1

> <INCHIKEY>
BGBNULCRKBVAKL-JTQLQIEISA-N

> <LINCS_ACCESSION>
LSM-6249

$$$$