HMDB0259137
     RDKit          3D
Triacetic acid
 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.9703    0.2289    0.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825   -0.7372    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8839   -1.8301    0.8356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8184   -0.4280   -0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4536   -0.0385    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    0.0094    1.2187 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6028    0.2963   -0.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7419    0.6462    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8227    1.7964    0.5038 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744   -0.3514    0.2319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8144    1.1489    0.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9687   -0.2001    0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9725    0.4465    1.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5960   -1.2974   -1.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1071    0.4098   -1.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3413    1.1480   -1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8317   -0.6220   -1.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775   -0.6256    1.1536 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
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  4 15  1  0
  7 16  1  0
  7 17  1  0
 10 18  1  0
M  END