HMDB0304103
     RDKit          3D
3,4-dihydroxyphenylpyruvate
 21 21  0  0  0  0  0  0  0  0999 V2000
    4.3796    0.1634    1.1262 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9071    0.2242   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7506    0.3952   -1.0939 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.4891    0.1177   -0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9429    0.1706   -1.3666 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052   -0.0660    0.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1695   -0.1582    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242   -1.3754    0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7626   -1.4723   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -0.3183   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8747   -0.3561   -0.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9646    0.9123    0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7523    2.0548    0.0197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270    0.9656    0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701   -1.0227    1.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    0.8003    1.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1857   -2.2557    0.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2338   -2.4221   -0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3362   -1.2277   -0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3219    2.9459    0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945    1.9243    0.6859 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
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
 14  7  1  0
  6 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 11 19  1  0
 13 20  1  0
 14 21  1  0
M  CHG  1   3  -1
M  END