HMDB0039468
     RDKit          3D
S-Methyl 4-methylpentanethioate
 23 22  0  0  0  0  0  0  0  0999 V2000
    4.6469   -0.3314   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1962   -0.2154    0.9660 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537    0.0019   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8436    0.0511   -1.2450 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4221    0.1233    0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6205    0.2967   -0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9982    0.4246    0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9948    0.5961   -0.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2330   -0.8209    1.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5197    0.2517   -1.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4949    0.1527    0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770   -1.3803   -0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2247   -0.8174    1.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4152    0.9832    1.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887    1.2374   -0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975   -0.5353   -1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9528    1.3437    0.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0263    0.6795   -0.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7303    1.5683   -1.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8222   -0.1813   -1.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2854   -1.1684    1.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682   -0.6042    2.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761   -1.6556    0.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  5 13  1  0
  5 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
M  END