HMDB0002214
     RDKit          3D
Cuminaldehyde
 23 23  0  0  0  0  0  0  0  0999 V2000
   -2.4731    0.7309   -1.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8136   -0.3740   -0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2277   -0.2549    1.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -0.2899   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -1.3102   -0.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8221   -1.1696   -0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4695   -0.0384   -0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    0.1028   -0.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024    1.1191   -0.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6951    0.9764    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3145    0.8354    0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872    1.0987   -1.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6369    1.6086   -0.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4493    0.4164   -1.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1946   -1.3324   -0.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3977   -0.5748    1.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4989    0.7754    1.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0885   -0.9124    1.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0381   -2.2095   -1.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882   -1.9990   -1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -0.7145   -0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    1.8733    0.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2658    1.6425    0.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  0
 11  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  8 21  1  0
 10 22  1  0
 11 23  1  0
M  END