HMDB0032446
     RDKit          3D
trans, trans-3,5-Octadien-2-one
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.3347   -0.1265   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8407    0.2401    0.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3481    0.2479    0.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263   -0.0296   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8429   -0.0034   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5794   -0.2795   -1.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0243   -0.2521   -1.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6940    0.0845    0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6916   -0.5165   -2.0937 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657    0.6247   -1.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9717   -1.1153   -0.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4539   -0.1184   -0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2723    1.2049    1.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582   -0.5251    1.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7978    0.4877    1.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1386   -0.2736   -1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3634    0.2399    0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0346   -0.5203   -2.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7591    0.3779   -0.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2576    0.9847    0.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6611   -0.7321    0.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  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
  4 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  8 20  1  0
  8 21  1  0
M  END