HMDB0247698
     RDKit          3D
Benzoic acid, 2-(acetyloxy)-5-amino-
 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.8868   -0.2933   -0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4378   -0.4971   -0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1135   -1.4077    0.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4364    0.2251   -0.7671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0827    0.0083   -0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6418   -0.8790   -1.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9892   -1.1153   -1.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6465   -0.4507   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0303   -0.6798    0.1868 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.4381    0.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5762    0.6850    0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1744    1.6260    1.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368    2.2245    2.2441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5094    1.8787    1.1283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4842   -0.6874    0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2332   -0.8343   -1.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0881    0.7986   -0.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0908   -1.3855   -2.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4898   -1.8284   -1.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6974   -0.0789   -0.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3904   -1.4052    0.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4505    0.9477    1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9097    2.7106    0.7642 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
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 11  5  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  6 18  1  0
  7 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 14 23  1  0
M  END