HMDB0040207
     RDKit          3D
Ethyl hydrogen fumarate
 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.7972    0.4673    0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3803   -0.7176   -0.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1576   -1.2692   -0.1069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0131   -0.4388   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2179    0.7008   -0.5027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039   -1.0512    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3577   -0.4529    0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003    0.9105    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8199    1.7441   -0.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3614    0.2225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8887    0.3849    0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737    1.3806   -0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2323    0.5462    1.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2800   -0.4688   -1.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1341   -1.5100   -0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1976   -2.1048    0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1817   -1.0957    0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4853    1.6133   -0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  6 16  1  0
  7 17  1  0
 10 18  1  0
M  END