HMDB0001964
     RDKit          3D
Caffeic acid
 21 21  0  0  0  0  0  0  0  0999 V2000
    4.0991    1.0388   -0.6387 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8145   -0.1557   -0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7862   -1.1276   -0.5853 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -0.5006   -0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    0.4188   -0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379    0.1452   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4823   -1.1161    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -1.3363    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7279   -0.2846    0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0836   -0.4964    0.5340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2265    0.9903    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1463    2.0338    0.2442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    1.1945    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   -1.8202    0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1149   -1.5487   -0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8217    1.4544   -0.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876   -1.9766    0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1762   -2.3683    0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7360    0.2746    0.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    2.9671    0.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4912    2.2137   -0.1154 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
 10 19  1  0
 12 20  1  0
 13 21  1  0
M  END