HMDB0031665
     RDKit          3D
Daucic acid
 22 22  0  0  0  0  0  0  0  0999 V2000
    3.5334    0.0864    0.6581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    0.6008    0.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3564    1.4106    2.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    0.3269    0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3204   -0.4480   -0.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0867   -0.6860   -1.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1850   -1.8258   -2.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0457   -0.8262   -0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5918   -1.7424    0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656    0.5771   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2843    0.6747    0.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4484    0.4204    0.4755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0781    1.0496    2.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640    0.8984    0.5231 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0008    2.1833    2.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813   -0.8695   -1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0952    0.1824   -2.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0647   -2.2457   -2.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9797   -1.1507   -1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1009   -1.7655    1.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3607    1.2454   -0.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4402    1.9037    2.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14  4  1  0
  3 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
 10 21  1  0
 13 22  1  0
M  END