HMDB0301747
     RDKit          3D
Mellein
 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.4363   -0.0165    0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9001    0.3965   -1.0427 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8638   -0.6019   -1.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2857   -0.5418   -0.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0399   -1.7158   -0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -1.6370    0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4869   -0.5071    1.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7175    0.6605    0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1039    1.7714    1.6116 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6068    0.6390    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2267    1.8155   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556    2.8755    0.4667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371    1.7049   -0.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5698   -0.2540    0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0802   -0.8927    0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0156    0.8118    0.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7563    0.4297   -1.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423   -0.3736   -2.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3354   -1.6046   -1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -2.6317   -0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7255   -2.5425    0.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3386   -0.4739    1.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8232    2.6884    1.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  2  1  0
 10  4  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  6
  3 18  1  0
  3 19  1  0
  5 20  1  0
  6 21  1  0
  7 22  1  0
  9 23  1  0
M  END