HMDB0002092
     RDKit          3D
Itaconic acid
 15 14  0  0  0  0  0  0  0  0999 V2000
    0.4939    1.7886    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291    0.4933   -0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5857   -0.4208   -0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9289    0.0801   -0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2986    1.2535   -0.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9600   -0.8639   -0.5964 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757   -0.1248   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8596    0.6209    0.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9630   -1.4864   -0.2929 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4139    2.3336    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4150    2.3415    0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5082   -1.2217    0.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4041   -0.9627   -1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473   -1.8376   -0.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8126   -1.9936   -0.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  6 14  1  0
  9 15  1  0
M  END