HMDB0000310
     RDKit          3D
Methylacetoacetic acid
 16 15  0  0  0  0  0  0  0  0999 V2000
    3.2553    0.1106   -0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9970   -0.0975   -0.7506 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126    0.0373   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    0.3588    1.1844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233   -0.1820   -0.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597    0.0419    0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0153   -0.0964    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2668    0.3538    1.5356 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1239    0.5052    0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8206    0.8881   -0.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8453   -0.8279   -0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6154   -1.2382   -1.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770    0.4603   -1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262    0.8539    0.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2203   -0.2455   -0.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3911   -0.9225    0.7242 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
  6  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  5 12  1  0
  5 13  1  0
  7 14  1  0
  7 15  1  0
  7 16  1  0
M  END