HMDB0000748
     RDKit          3D
L-3-Phenyllactic acid
 22 22  0  0  0  0  0  0  0  0999 V2000
    3.3523    1.2013   -0.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139    0.6526    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9396    0.0305    0.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925    0.6753    0.5093 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4462    0.0117    1.7248 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8092   -0.1097   -0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6332   -0.1555   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1441   -1.1720    0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830   -1.2555    0.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3515   -0.2742    0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310    0.7427   -0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4956    0.8269   -0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2966   -0.9105    0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    1.7223    0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3108   -0.1155    2.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    0.3759   -1.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2544   -1.1321   -0.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4257   -1.9189    0.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8535   -2.0571    1.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3977   -0.2765    0.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5166    1.5094   -0.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0805    1.6287   -1.2997 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  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  3 13  1  0
  4 14  1  1
  5 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END