HMDB0040463
     RDKit          3D
Ethyl sorbate
 22 21  0  0  0  0  0  0  0  0999 V2000
    4.6963   -0.2780    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2319   -0.4480   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029    0.0475    0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8958   -0.1005    0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0318    0.3921    1.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4693    0.2189    0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3503    0.6892    1.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9080   -0.4749   -0.3053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2967   -0.6454   -0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    0.6957   -0.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935   -0.2182   -0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8712    0.6796    0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1044   -1.1463    0.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078   -0.9814   -1.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    0.5875    1.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583   -0.6382   -0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2268    0.9320    1.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3476   -1.1545   -1.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8010   -1.2594    0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2329    1.0809    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8904    0.5863   -1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3245    1.4349   -1.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  5 17  1  0
  9 18  1  0
  9 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
M  END