HMDB0012241
     RDKit          3D
Isopropylmaleic acid
 21 20  0  0  0  0  0  0  0  0999 V2000
   -1.8079   -1.3410   -0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649    0.0593   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7129    1.0178   -1.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1150    0.0734    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289    0.8506   -0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3390    1.0206   -0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9433    1.8649   -0.9791 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1629    0.3834    0.6475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -0.8123    1.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3158   -1.5660    1.9044 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8078   -0.9817    1.7810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -1.9943   -0.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357   -1.7711    0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5692   -1.3375   -1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8569    0.4333    0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.8110   -2.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4846    2.0457   -0.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8384    0.9483   -1.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4183    1.4836   -1.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0265   -0.0189    0.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0743   -1.1691    2.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  4  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  8 20  1  0
 11 21  1  0
M  END