HMDB0303849
     RDKit          3D
(Z)-3-octen-2-one
 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.2926    0.6749   -0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0845    0.5070    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1326   -0.5491   -0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0268   -0.6049    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0297   -1.5754    0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700   -1.3299    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9214   -0.0731    0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4813    1.2918    0.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1975   -0.1396   -0.1592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1773    0.7822    0.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2009    1.5705   -1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4537   -0.2284   -1.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152    1.4645    0.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    0.3095    1.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7613   -0.1834   -1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6028   -1.5273   -0.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4258   -1.0328    1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3033    0.3989    1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6955   -2.6335    0.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9256   -2.2361   -0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784    1.5366    1.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391    2.0129    0.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541    1.5646   -0.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  6 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
M  END