HMDB0038962
     RDKit          3D
Ethyl tiglate
 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.1549    1.0743   -0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7187    1.1691   -0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0175    0.1551   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -1.1256    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4201    0.2938    0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9758    1.4009    0.0386 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1727   -0.7296    0.7412 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5426   -0.6564    1.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4092   -0.3121   -0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4809    2.0673   -1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7821    0.8153    0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3803    0.3479   -1.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1455    2.0985   -0.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1258   -1.2061    1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0532   -1.9958    0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814   -1.2657   -0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6656    0.1435    1.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9164   -1.5858    1.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4687   -0.4964    0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2326   -0.9646   -0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3712    0.7725   -0.3866 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
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  4 15  1  0
  4 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END