HMDB0247918
     RDKit          3D
Acetovanillone
 22 22  0  0  0  0  0  0  0  0999 V2000
    2.9102   -0.7847    1.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7122   -0.4693    0.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4598   -0.1708   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848   -0.1810    0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8949    0.1163    0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0111    0.0977    1.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3798    0.4063    0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8285   -0.1824    2.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1102    0.4233   -1.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0315    0.4372   -2.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2495    0.1374   -1.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3468    0.1417   -2.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9382   -1.2417    1.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8256    0.0986    2.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855   -1.5830    1.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5273   -0.4204    1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5650    1.5152    0.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1082   -0.0388    1.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5867   -0.0056   -0.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0716    0.6630   -1.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    0.6785   -3.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2349    0.3626   -3.3914 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
  9 20  1  0
 10 21  1  0
 12 22  1  0
M  END