HMDB0035925
     RDKit          3D
4-(1-Methylethenyl)benzaldehyde
 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.6836   -1.1298   -0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9629   -0.0764    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6318    1.2019    0.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5050   -0.1475    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.2746   -0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.2557   -0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -0.1193   -0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7783   -0.1086   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276    0.9444   -0.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6113    1.0102    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445    1.0170    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2551   -2.0656   -0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7555   -1.0805    0.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183    1.9063   -0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269    1.6493    1.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6973    1.0210    0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3162   -2.1976   -0.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1299   -2.1610   -0.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241   -0.9960   -0.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634    1.9424    0.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150    1.9201    0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  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
  3 14  1  0
  3 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
M  END