HMDB0000703
     RDKit          3D
Mandelic acid
 19 19  0  0  0  0  0  0  0  0999 V2000
    1.7443    1.5659    1.3954 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770    0.5290    0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1165   -0.2578    1.2762 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3841    0.0975   -0.4273 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9162   -1.0882   -0.9291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821    0.0091   -0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9085    1.0441   -0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2859    0.9897   -0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8783   -0.1082    0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0703   -1.1598    0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015   -1.0805    0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0757   -0.1424    0.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5813    0.8752   -1.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8934   -0.8971   -1.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445    1.9241   -1.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8838    1.8351   -0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9479   -0.1821    0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5202   -2.0449    0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655   -1.9087    0.6596 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
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  3 12  1  0
  4 13  1  6
  5 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END