HMDB0240388
     RDKit          3D
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.8837    0.1733   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064    0.5792   -1.4099 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1127   -0.0532   -0.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799    0.0126    0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6032   -0.4822    0.8105 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0147    0.2951    1.8949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7046   -0.5389   -0.1709 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8209   -1.1231    0.4660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1242    0.8402   -0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3014    1.5779   -1.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3837    1.3552   -0.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8808    0.6164   -0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859   -0.9329   -0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4685    0.5021    0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4102   -0.5191   -1.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3499    0.4713    1.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4373   -1.5143    1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673    1.2483    1.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -1.1026   -1.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6478   -2.0752    0.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1385    0.6699   -0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  5 17  1  1
  6 18  1  0
  7 19  1  6
  8 20  1  0
 11 21  1  0
M  END