HMDB0032017
     RDKit          3D
3,4,5-Trimethylbenzaldehyde
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.5949    0.2032    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1092    0.3822    0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5449    1.6424    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    1.8221   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3864    3.1664   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122    3.3697   -0.2255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6012    0.6875   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0266   -0.5705   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742   -1.8106   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3366   -0.7605    0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9341   -2.1222    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8650   -0.7515   -0.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    0.2651    1.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253    0.9983   -0.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1854    2.5320    0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311    4.0192   -0.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6924    0.7942   -0.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9174   -1.5688   -0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7791   -2.3637    0.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4002   -2.4555   -0.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2268   -2.8552    0.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1649   -2.4830   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8347   -2.1409    0.7777 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  1  0
  5  6  2  0
  4  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 10  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  5 16  1  0
  7 17  1  0
  9 18  1  0
  9 19  1  0
  9 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END