HMDB0029457
     RDKit          3D
Xanthotoxol
 21 23  0  0  0  0  0  0  0  0999 V2000
   -4.1336    0.8243    1.1782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0380    0.4071    0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1291   -0.6306   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695   -1.1402   -0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7860   -0.5423   -0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3957   -0.9846   -0.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -0.3976   -0.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995   -0.6511   -0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571    0.2526   -0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8431    0.9782    0.5542 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6004    0.6269    0.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3988    1.0949    0.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4442    2.1387    1.8403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7695    0.4935    0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8851    0.9390    1.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0955   -1.0425   -0.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9900   -1.9567   -1.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4371   -1.7960   -1.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2462   -1.4067   -1.5958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7346    0.3406   -0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4432    2.4525    2.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15  2  1  0
 14  5  1  0
 11  7  2  0
  3 16  1  0
  4 17  1  0
  6 18  1  0
  8 19  1  0
  9 20  1  0
 13 21  1  0
M  END