HMDB0032057
     RDKit          3D
(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid
 21 21  0  0  0  0  0  0  0  0999 V2000
    4.5779   -1.0118    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303   -0.2031    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8794    1.1355   -0.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2450   -0.6094    0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2290    0.2180    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681   -0.1354    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5396   -1.4212    0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -1.7939    0.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8691   -0.8565    0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169    0.4136    0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080    1.3767    0.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1700    0.7944    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9130    2.1197   -0.1386 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509    1.8112    0.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0732   -1.6438    0.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5316    1.2515   -0.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -2.1872    0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1167   -2.8109    0.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9037   -1.1916    0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2642    2.3164   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203    2.4276   -0.2722 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  3
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 12  6  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 11 20  1  0
 13 21  1  0
M  END