HMDB0303839
     RDKit          3D
3-mercapto-4-methyl-2-pentanone
 20 19  0  0  0  0  0  0  0  0999 V2000
    2.7989    0.2560   -0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -0.1093   -0.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1242   -0.6700   -1.7065 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3344    0.2117    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7553   -0.5225    1.8790 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0299   -0.2336   -0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407    0.4018   -1.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0429   -0.0504    0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343   -0.6701   -0.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2640    0.8442   -1.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9170    0.7897    0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541    1.3239    0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448   -1.9286    1.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.3447   -0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6371   -0.3506   -2.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7435    1.1764   -1.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4341    0.9030   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9238   -0.7095    0.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5388   -0.3281    1.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3749    1.0104    0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  4 12  1  0
  5 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
M  END