HMDB0000440
     RDKit          3D
3-Hydroxyphenylacetic acid
 19 19  0  0  0  0  0  0  0  0999 V2000
    1.8465    1.6047    1.2891 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824    0.6502    0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7588    0.5211    0.7955 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6703   -0.3217   -0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2244   -0.1082   -0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3900    0.6857   -1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7380    0.8583   -1.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5579    0.2457   -0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503   -0.5478    0.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8027   -1.1529    1.5719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5791   -0.7281    0.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3452    0.0522    0.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8687   -1.3372    0.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1329   -0.3411   -1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2274    1.1765   -1.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2317    1.4756   -1.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6372    0.3712   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3781   -1.7365    2.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1915   -1.3677    1.4824 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  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  5  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 11 19  1  0
M  END