HMDB0250545
     RDKit          3D
Crotonic acid betaine
 23 22  0  0  0  0  0  0  0  0999 V2000
   -2.0501   -0.7831   -0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0127   -0.1502   -0.1100 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.0354    1.2589   -0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3482   -0.4006    1.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395   -0.7791   -0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769   -0.3290    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4101    0.2545   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5622    0.7165    0.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5153    1.2655   -0.0999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972    0.5485    1.8709 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.8024   -0.5385   -1.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9903   -1.8710   -0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0038   -0.3243   -0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6977    1.7986    0.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4757    1.4871   -1.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278    1.7350   -0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3177    0.1188    1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476   -1.4772    1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173    0.0366    1.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3612   -0.6073   -1.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -1.8865   -0.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3884   -0.4673    1.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3992    0.3943   -1.3311 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
  2  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  7 23  1  0
M  CHG  2   2   1  10  -1
M  END